CN(C(=O)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019630202	0	34	-1.0	-56.37	330.14	8.97	-47.40
CN(C(=O)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019630202	1	34	-1.0	-56.33	330.26	8.95	-47.38
CN(C(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=N[N-]N=N1	REAL300019630203	0	35	-1.0	-61.50	293.38	3.30	-58.20
CN(C(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=NN=N[N-]1	REAL300019630203	1	35	-1.0	-61.59	293.25	3.32	-58.27
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=C1	REAL300019630204	0	43	-1.0	-51.39	363.73	11.04	-40.35
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=C1	REAL300019630204	1	43	-1.0	-51.48	363.59	11.04	-40.44
CCC1=CC=C(C(=O)N2CCC(C(=O)N(C)C3=N[N-]N=N3)CC2)O1	REAL300019630205	0	43	-1.0	-51.98	341.89	6.75	-45.23
CCC1=CC=C(C(=O)N2CCC(C(=O)N(C)C3=NN=N[N-]3)CC2)O1	REAL300019630205	1	43	-1.0	-52.05	341.76	6.79	-45.26
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300019630206	0	32	-1.0	-48.04	282.38	7.72	-40.32
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300019630206	1	32	-1.0	-48.11	282.25	7.74	-40.37
CCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300019630207	0	35	-1.0	-56.33	306.62	7.76	-48.57
CCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300019630207	1	35	-1.0	-56.29	306.72	7.75	-48.54
COC1=CC=C(C2=NC=C(C(=O)N(C)C3=NN=N[N-]3)S2)C=C1	REAL300019630208	0	33	-1.0	-46.80	296.23	5.05	-41.75
COC1=CC=C(C2=NC=C(C(=O)N(C)C3=N[N-]N=N3)S2)C=C1	REAL300019630208	1	33	-1.0	-46.66	296.38	5.04	-41.62
CN(C(=O)C(C1=CC=CC=C1F)N1CCOCC1)C1=N[N-]N=N1	REAL300019630209	0	39	-1.0	-46.73	312.72	4.46	-42.27
CN(C(=O)C(C1=CC=CC=C1F)N1CCOCC1)C1=NN=N[N-]1	REAL300019630209	1	39	-1.0	-46.78	312.59	4.48	-42.30
CN(C(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=N[N-]N=N1	REAL300019630210	0	39	-1.0	-51.61	321.48	5.87	-45.74
CN(C(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=NN=N[N-]1	REAL300019630210	1	39	-1.0	-51.67	321.34	5.88	-45.79
CN(C(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019630211	0	38	-1.0	-53.73	328.42	5.14	-48.59
CN(C(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019630211	1	38	-1.0	-53.85	328.28	5.16	-48.69
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630212	0	44	-1.0	-49.54	364.32	6.13	-43.41
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630212	1	44	-1.0	-49.62	364.17	6.15	-43.47
CN(C(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=NN=N[N-]1	REAL300019630213	0	39	-1.0	-36.09	319.19	6.75	-29.34
CN(C(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=N[N-]N=N1	REAL300019630213	1	39	-1.0	-36.06	319.33	6.72	-29.34
CN(C(=O)C(C1=CC=C(Cl)C=C1Cl)N1CCOCC1)C1=N[N-]N=N1	REAL300019630214	0	39	-1.0	-44.05	335.44	4.68	-39.37
CN(C(=O)C(C1=CC=C(Cl)C=C1Cl)N1CCOCC1)C1=NN=N[N-]1	REAL300019630214	1	39	-1.0	-44.11	335.31	4.68	-39.43
CN(C(=O)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1)C1=NN=N[N-]1	REAL300019630215	0	38	-1.0	-47.16	341.07	7.42	-39.74
CN(C(=O)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1)C1=N[N-]N=N1	REAL300019630215	1	38	-1.0	-47.15	341.21	7.43	-39.72
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300019630216	0	35	-1.0	-50.52	297.53	8.01	-42.51
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300019630216	1	35	-1.0	-50.63	297.39	8.03	-42.60
CN(C(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=NN=N[N-]1	REAL300019630217	0	43	-1.0	-48.10	353.46	6.94	-41.16
CN(C(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=N[N-]N=N1	REAL300019630217	1	43	-1.0	-48.08	353.60	6.95	-41.13
CN(C(=O)C1=CC=C(F)C=C1C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019630218	0	33	-1.0	-44.20	320.62	9.50	-34.70
CN(C(=O)C1=CC=C(F)C=C1C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019630218	1	33	-1.0	-44.08	320.75	9.47	-34.61
CC(C)C1=NN(C)C2=C1C=C(C(=O)N(C)C1=NN=N[N-]1)S2	REAL300019630219	0	35	-1.0	-46.28	305.89	5.84	-40.44
CC(C)C1=NN(C)C2=C1C=C(C(=O)N(C)C1=N[N-]N=N1)S2	REAL300019630219	1	35	-1.0	-46.16	306.03	5.82	-40.34
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630220	0	42	-1.0	-58.41	350.50	3.19	-55.22
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630220	1	42	-1.0	-58.52	350.00	3.20	-55.32
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1NC(=O)OC(C)(C)C	REAL300019630221	0	43	-1.0	-57.18	343.13	6.10	-51.08
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300019630221	1	43	-1.0	-57.27	342.99	6.12	-51.15
CC(C)=CC(=O)NCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019630222	0	40	-1.0	-49.98	333.95	6.00	-43.98
CC(C)=CC(=O)NCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019630222	1	40	-1.0	-50.09	333.80	6.00	-44.09
CN(C(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=NN=N[N-]1	REAL300019630223	0	33	-1.0	-44.59	290.11	7.50	-37.09
CN(C(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=N[N-]N=N1	REAL300019630223	1	33	-1.0	-44.51	290.26	7.49	-37.02
CN(C(=O)C1=CC(C2CC2)=NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300019630224	0	35	-1.0	-47.60	298.15	7.42	-40.18
CN(C(=O)C1=CC(C2CC2)=NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300019630224	1	35	-1.0	-47.50	298.30	7.43	-40.07
CN(C(=O)C(C1=CC=CC(Br)=C1)N1CCCC1)C1=N[N-]N=N1	REAL300019630225	0	38	-1.0	-49.73	324.10	6.52	-43.21
CN(C(=O)C(C1=CC=CC(Br)=C1)N1CCCC1)C1=NN=N[N-]1	REAL300019630225	1	38	-1.0	-49.79	323.96	6.54	-43.25
CCCCCCCCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL300019630226	0	52	-1.0	-46.89	406.34	11.56	-35.33
CCCCCCCCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL300019630226	1	52	-1.0	-47.00	406.20	11.60	-35.40
CN(C(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300019630227	0	36	-1.0	-51.42	310.78	7.52	-43.90
CN(C(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300019630227	1	36	-1.0	-51.34	310.92	7.51	-43.83
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300019630228	0	26	-1.0	-30.21	254.19	6.46	-23.75
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300019630228	1	26	-1.0	-30.24	254.03	6.46	-23.78
CN(C(=O)CCC1=NC2=CC(Br)=CC=C2S1)C1=N[N-]N=N1	REAL300019630229	0	31	-1.0	-47.25	304.28	6.81	-40.44
CN(C(=O)CCC1=NC2=CC(Br)=CC=C2S1)C1=NN=N[N-]1	REAL300019630229	1	31	-1.0	-47.36	304.14	6.84	-40.52
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630230	0	38	-1.0	-58.18	320.76	4.15	-54.03
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630230	1	38	-1.0	-58.25	320.62	4.17	-54.08
CC(C)OC1=CC(Br)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630231	0	33	-1.0	-44.59	293.77	6.39	-38.20
CC(C)OC1=CC(Br)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630231	1	33	-1.0	-44.68	293.63	6.39	-38.29
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019630232	0	38	-1.0	-47.40	313.11	8.02	-39.38
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019630232	1	38	-1.0	-47.35	313.26	8.02	-39.33
CN(C(=O)C1(S(=O)(=O)C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019630233	0	33	-1.0	-54.98	290.58	3.83	-51.15
CN(C(=O)C1(S(=O)(=O)C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019630233	1	33	-1.0	-55.04	290.44	3.85	-51.19
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300019630234	0	43	-1.0	-47.62	337.65	5.36	-42.26
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300019630234	1	43	-1.0	-47.71	337.51	5.39	-42.32
CC1=NN(CC2=CC=CC(Br)=C2)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630235	0	39	-1.0	-47.29	352.13	8.33	-38.96
CC1=NN(CC2=CC=CC(Br)=C2)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630235	1	39	-1.0	-47.37	351.99	8.35	-39.02
CN(C(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300019630236	0	33	-1.0	-47.53	306.69	5.76	-41.77
CN(C(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300019630236	1	33	-1.0	-47.44	306.83	5.75	-41.69
CN(C(=O)C1=CC2=CC=CC=C2C=C1I)C1=N[N-]N=N1	REAL300019630237	0	29	-1.0	-47.49	271.18	8.21	-39.28
CN(C(=O)C1=CC2=CC=CC=C2C=C1I)C1=NN=N[N-]1	REAL300019630237	1	29	-1.0	-47.57	271.04	8.20	-39.37
CC1C(=O)NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2N1C	REAL300019630238	0	36	-1.0	-51.72	289.36	2.63	-49.09
CC1C(=O)NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2N1C	REAL300019630238	1	36	-1.0	-51.63	289.51	2.63	-49.00
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC(Br)=CC=C2N=C1C1CC1	REAL300019630239	0	38	-1.0	-46.72	337.65	8.74	-37.98
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC(Br)=CC=C2N=C1C1CC1	REAL300019630239	1	38	-1.0	-46.64	337.78	8.75	-37.89
CN(C(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019630240	0	25	-1.0	-53.55	253.00	7.11	-46.44
CN(C(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019630240	1	25	-1.0	-53.64	252.86	7.12	-46.52
CC1=CC(N2C(=O)C3=CC=CC=C3C2=O)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630241	0	40	-1.0	-51.23	337.44	8.27	-42.96
CC1=CC(N2C(=O)C3=CC=CC=C3C2=O)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630241	1	40	-1.0	-51.30	337.29	8.29	-43.01
CN(C(=O)CCC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL300019630242	0	29	-1.0	-45.44	285.21	7.77	-37.67
CN(C(=O)CCC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL300019630242	1	29	-1.0	-45.51	285.07	7.79	-37.72
CC1=CC=C(S(=O)(=O)C2(C(=O)N(C)C3=N[N-]N=N3)CCCC2)C=C1	REAL300019630243	0	42	-1.0	-49.25	335.81	5.85	-43.40
CC1=CC=C(S(=O)(=O)C2(C(=O)N(C)C3=NN=N[N-]3)CCCC2)C=C1	REAL300019630243	1	42	-1.0	-49.35	335.67	5.85	-43.50
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300019630244	0	41	-1.0	-48.18	334.01	8.85	-39.33
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=C(C3CC3)N=C2C(C)=C1	REAL300019630244	1	41	-1.0	-48.11	334.14	8.83	-39.28
CN(C(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630245	0	45	-1.0	-48.09	358.98	11.32	-36.77
CN(C(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630245	1	45	-1.0	-48.21	358.91	11.35	-36.86
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(Br)C=C1	REAL300019630246	0	33	-1.0	-48.42	303.78	7.80	-40.62
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(Br)C=C1	REAL300019630246	1	33	-1.0	-48.48	303.63	7.81	-40.67
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(S(=O)(=O)N(C)C)O1	REAL300019630247	0	34	-1.0	-48.67	303.84	1.86	-46.81
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300019630247	1	34	-1.0	-48.77	303.70	1.89	-46.88
CN(C(=O)C1=C(Cl)C=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019630248	0	23	-1.0	-47.21	255.88	6.45	-40.76
CN(C(=O)C1=C(Cl)C=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300019630248	1	23	-1.0	-47.28	255.75	6.45	-40.83
COC1=CC(N2CC(C(=O)N(C)C3=N[N-]N=N3)CC2=O)=CC(OC)=C1	REAL300019630249	0	42	-1.0	-51.12	339.96	4.66	-46.46
COC1=CC(N2CC(C(=O)N(C)C3=NN=N[N-]3)CC2=O)=CC(OC)=C1	REAL300019630249	1	42	-1.0	-51.27	339.83	4.68	-46.59
CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300019630250	0	35	-1.0	-45.13	302.47	7.95	-37.18
CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019630250	1	35	-1.0	-45.20	302.33	7.98	-37.22
CN(C(=O)C1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019630251	0	43	-1.0	-46.83	329.43	5.36	-41.47
CN(C(=O)C1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019630251	1	43	-1.0	-46.87	329.30	5.38	-41.49
CN(C(=O)C1=NC=CC=C1OCC(F)(F)F)C1=NN=N[N-]1	REAL300019630252	0	29	-1.0	-59.49	268.15	6.11	-53.38
CN(C(=O)C1=NC=CC=C1OCC(F)(F)F)C1=N[N-]N=N1	REAL300019630252	1	29	-1.0	-59.39	268.29	6.10	-53.29
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300019630253	0	35	-1.0	-58.05	301.58	3.75	-54.30
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300019630253	1	35	-1.0	-58.12	301.45	3.77	-54.35
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL300019630254	0	34	-1.0	-48.00	297.61	6.90	-41.10
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL300019630254	1	34	-1.0	-48.08	297.46	6.90	-41.18
CN(C(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=N[N-]N=N1	REAL300019630255	0	34	-1.0	-46.41	315.15	8.39	-38.02
CN(C(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=NN=N[N-]1	REAL300019630255	1	34	-1.0	-46.44	315.01	8.42	-38.02
CN(C(=O)C1=CC(S(=O)(=O)NC(C)(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL300019630256	0	40	-1.0	-50.54	342.63	3.46	-47.08
CN(C(=O)C1=CC(S(=O)(=O)NC(C)(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL300019630256	1	40	-1.0	-50.66	342.50	3.47	-47.19
CC1=C(Br)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630257	0	23	-1.0	-42.56	233.38	5.14	-37.42
CC1=C(Br)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630257	1	23	-1.0	-42.63	233.23	5.16	-37.47
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630258	0	41	-1.0	-58.59	346.92	9.01	-49.58
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630258	1	41	-1.0	-58.54	347.06	9.00	-49.54
COC1=CC=C(OC)C(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630259	0	34	-1.0	-46.08	293.48	4.60	-41.48
COC1=CC=C(OC)C(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630259	1	34	-1.0	-46.12	293.35	4.64	-41.48
CN(C(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=NN=N[N-]1	REAL300019630260	0	35	-1.0	-46.88	305.88	5.79	-41.09
CN(C(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=N[N-]N=N1	REAL300019630260	1	35	-1.0	-46.81	306.02	5.79	-41.02
CN(C(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300019630261	0	33	-1.0	-46.53	301.06	7.37	-39.16
CN(C(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300019630261	1	33	-1.0	-46.45	301.20	7.38	-39.07
CN(C(=O)C1=CC=C2C(=C1)C=CN2CCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019630262	0	53	-1.0	-56.60	425.93	8.09	-48.51
CN(C(=O)C1=CC=C2C(=C1)C=CN2CCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019630262	1	53	-1.0	-56.61	425.78	8.09	-48.52
CN(C(=O)C1=CC(Cl)=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300019630263	0	27	-1.0	-46.84	259.90	5.57	-41.27
CN(C(=O)C1=CC(Cl)=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300019630263	1	27	-1.0	-46.94	259.76	5.59	-41.35
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630264	0	36	-1.0	-52.30	336.21	8.24	-44.06
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630264	1	36	-1.0	-52.35	336.05	8.27	-44.08
CN(C(=O)CCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019630265	0	29	-1.0	-45.39	272.56	7.41	-37.98
CN(C(=O)CCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019630265	1	29	-1.0	-45.47	272.42	7.43	-38.04
CN(C(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=N[N-]N=N1	REAL300019630266	0	35	-1.0	-52.38	324.63	3.65	-48.73
CN(C(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=NN=N[N-]1	REAL300019630266	1	35	-1.0	-52.46	324.49	3.67	-48.79
COC1=CC=C(F)C=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL300019630267	0	30	-1.0	-43.53	270.41	5.38	-38.15
COC1=CC=C(F)C=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL300019630267	1	30	-1.0	-43.55	270.28	5.41	-38.14
CN(C(=O)C1=C2OCCOC2=CC([N+](=O)[O-])=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019630268	0	33	-1.0	-57.28	308.09	6.39	-50.89
CN(C(=O)C1=C2OCCOC2=CC([N+](=O)[O-])=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019630268	1	33	-1.0	-57.20	308.23	6.38	-50.82
COCCOC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630269	0	34	-1.0	-54.26	305.63	5.55	-48.71
COCCOC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630269	1	34	-1.0	-54.35	305.49	5.57	-48.78
CN(C(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL300019630270	0	32	-1.0	-55.29	299.84	3.52	-51.77
CN(C(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL300019630270	1	32	-1.0	-55.33	299.70	3.51	-51.82
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(=O)(=O)NC1CCCC1	REAL300019630271	0	44	-1.0	-56.40	359.51	4.84	-51.56
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300019630271	1	44	-1.0	-56.46	359.37	4.84	-51.62
CN(C(=O)C1(CC2=CC=CC=C2)CC2CCC1C2)C1=N[N-]N=N1	REAL300019630272	0	43	-1.0	-55.51	309.21	9.55	-45.96
CN(C(=O)C1(CC2=CC=CC=C2)CC2CCC1C2)C1=NN=N[N-]1	REAL300019630272	1	43	-1.0	-55.60	309.05	9.55	-46.05
CN(C(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019630273	0	34	-1.0	-48.02	307.90	8.34	-39.68
CN(C(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019630273	1	34	-1.0	-48.12	307.76	8.34	-39.78
CN(C(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL300019630274	0	35	-1.0	-52.79	319.71	9.14	-43.65
CN(C(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL300019630274	1	35	-1.0	-52.89	319.59	9.13	-43.76
CN(C(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=NN=N[N-]1	REAL300019630275	0	32	-1.0	-44.89	305.66	6.76	-38.13
CN(C(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=N[N-]N=N1	REAL300019630275	1	32	-1.0	-44.80	305.80	6.75	-38.05
CN(C(=O)C1=CC=C(I)C(Cl)=C1)C1=N[N-]N=N1	REAL300019630276	0	23	-1.0	-41.99	244.37	6.44	-35.55
CN(C(=O)C1=CC=C(I)C(Cl)=C1)C1=NN=N[N-]1	REAL300019630276	1	23	-1.0	-42.05	244.23	6.43	-35.62
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300019630277	0	29	-1.0	-48.61	272.78	7.19	-41.42
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300019630277	1	29	-1.0	-48.71	272.64	7.22	-41.49
CN(C(=O)C1=CC(N2CCNC2=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300019630278	0	33	-1.0	-50.66	292.10	4.20	-46.46
CN(C(=O)C1=CC(N2CCNC2=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300019630278	1	33	-1.0	-50.63	292.24	4.18	-46.45
CN(C(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL300019630279	0	30	-1.0	-49.14	278.66	8.70	-40.44
CN(C(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL300019630279	1	30	-1.0	-49.07	278.81	8.69	-40.38
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)N(C)C1=NN=N[N-]1	REAL300019630280	0	35	-1.0	-47.98	317.43	7.63	-40.35
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)N(C)C1=N[N-]N=N1	REAL300019630280	1	35	-1.0	-47.91	317.56	7.60	-40.31
COC(=O)COC1=C(C)C=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL300019630281	0	39	-1.0	-50.31	330.70	7.30	-43.01
COC(=O)COC1=C(C)C=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL300019630281	1	39	-1.0	-50.39	330.56	7.30	-43.09
CC1=CC=C(SC2(C(=O)N(C)C3=N[N-]N=N3)CCCC2)C=C1	REAL300019630282	0	40	-1.0	-47.00	314.84	8.78	-38.22
CC1=CC=C(SC2(C(=O)N(C)C3=NN=N[N-]3)CCCC2)C=C1	REAL300019630282	1	40	-1.0	-47.05	314.71	8.80	-38.25
CN(C(=O)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300019630283	0	35	-1.0	-46.29	308.45	7.86	-38.43
CN(C(=O)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300019630283	1	35	-1.0	-46.18	308.60	7.87	-38.31
CN(C(=O)CCSC1=CC=NC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019630284	0	35	-1.0	-47.12	324.73	8.03	-39.09
CN(C(=O)CCSC1=CC=NC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019630284	1	35	-1.0	-46.99	324.87	7.99	-39.00
CN(C(=O)CC1=CC=CC(I)=C1)C1=N[N-]N=N1	REAL300019630285	0	26	-1.0	-47.16	257.65	7.06	-40.10
CN(C(=O)CC1=CC=CC(I)=C1)C1=NN=N[N-]1	REAL300019630285	1	26	-1.0	-47.30	257.51	7.09	-40.21
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630286	0	39	-1.0	-47.52	347.51	8.22	-39.30
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630286	1	39	-1.0	-47.57	347.37	8.24	-39.33
CN(C(=O)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2)C1=N[N-]N=N1	REAL300019630287	0	40	-1.0	-28.91	289.08	7.41	-21.50
CN(C(=O)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2)C1=NN=N[N-]1	REAL300019630287	1	40	-1.0	-28.92	288.95	7.43	-21.49
CC1=CC(CCC(=O)N(C)C2=N[N-]N=N2)=CC=C1Br	REAL300019630288	0	32	-1.0	-45.50	290.77	7.97	-37.53
CC1=CC(CCC(=O)N(C)C2=NN=N[N-]2)=CC=C1Br	REAL300019630288	1	32	-1.0	-45.60	290.63	7.99	-37.61
CN(C(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630289	0	43	-1.0	-54.42	366.25	6.26	-48.16
CN(C(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630289	1	43	-1.0	-54.48	366.12	6.29	-48.19
CC(C)CN(CC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019630290	0	45	-1.0	-51.54	353.22	7.28	-44.26
CC(C)CN(CC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019630290	1	45	-1.0	-51.62	353.09	7.31	-44.31
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630291	0	40	-1.0	-44.60	342.84	6.71	-37.89
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630291	1	40	-1.0	-44.70	342.70	6.73	-37.97
CN(C(=O)C1=CC=C(F)C(I)=C1)C1=N[N-]N=N1	REAL300019630292	0	23	-1.0	-42.14	235.53	6.04	-36.10
CN(C(=O)C1=CC=C(F)C(I)=C1)C1=NN=N[N-]1	REAL300019630292	1	23	-1.0	-42.22	235.39	6.04	-36.18
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019630293	0	32	-1.0	-45.25	288.72	7.62	-37.63
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019630293	1	32	-1.0	-45.31	288.58	7.65	-37.66
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL300019630294	0	28	-1.0	-47.96	276.29	7.15	-40.81
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL300019630294	1	28	-1.0	-48.02	276.16	7.18	-40.84
CN(C(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019630295	0	32	-1.0	-45.97	290.82	6.49	-39.48
CN(C(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019630295	1	32	-1.0	-46.02	290.67	6.50	-39.52
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL300019630296	0	33	-1.0	-47.18	296.77	8.19	-38.99
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL300019630296	1	33	-1.0	-47.04	296.91	8.18	-38.86
CN(C(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL300019630297	0	37	-1.0	-48.73	329.96	8.93	-39.80
CN(C(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL300019630297	1	37	-1.0	-48.67	330.11	8.91	-39.76
CN(C(=O)C1=C(F)C=C(Br)C=C1F)C1=N[N-]N=N1	REAL300019630298	0	23	-1.0	-46.71	243.00	5.83	-40.88
CN(C(=O)C1=C(F)C=C(Br)C=C1F)C1=NN=N[N-]1	REAL300019630298	1	23	-1.0	-46.80	242.86	5.85	-40.95
CC(CS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019630299	0	35	-1.0	-48.02	321.22	4.88	-43.14
CC(CS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019630299	1	35	-1.0	-48.11	321.09	4.91	-43.20
CN(C(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300019630300	0	29	-1.0	-50.64	289.66	3.36	-47.28
CN(C(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300019630300	1	29	-1.0	-50.80	289.52	3.36	-47.44
CN(C(=O)CCCC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300019630301	0	35	-1.0	-51.07	309.11	8.91	-42.16
CN(C(=O)CCCC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300019630301	1	35	-1.0	-51.15	308.98	8.94	-42.21
CN(C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=NN=N[N-]1	REAL300019630302	0	33	-1.0	-43.40	296.65	6.83	-36.57
CN(C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=N[N-]N=N1	REAL300019630302	1	33	-1.0	-43.32	296.79	6.82	-36.50
CN(C)C1=CC=C(C2=CN=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL300019630303	0	40	-1.0	-47.31	322.73	6.93	-40.38
CN(C)C1=CC=C(C2=CN=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL300019630303	1	40	-1.0	-47.20	322.85	6.93	-40.27
CN(C(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL300019630304	0	29	-1.0	-48.35	295.16	7.66	-40.69
CN(C(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL300019630304	1	29	-1.0	-48.41	295.02	7.69	-40.72
CN(C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630305	0	41	-1.0	-59.54	344.86	7.51	-52.03
CN(C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630305	1	41	-1.0	-59.59	344.72	7.54	-52.05
CC1=CC(I)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL300019630306	0	29	-1.0	-44.69	267.37	7.18	-37.51
CC1=CC(I)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL300019630306	1	29	-1.0	-44.80	267.22	7.19	-37.61
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1I	REAL300019630307	0	27	-1.0	-45.33	258.34	5.35	-39.98
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1I	REAL300019630307	1	27	-1.0	-45.38	258.20	5.37	-40.01
CC1=CC=C(I)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630308	0	26	-1.0	-44.56	249.79	6.69	-37.87
CC1=CC=C(I)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630308	1	26	-1.0	-44.61	249.66	6.70	-37.91
COC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019630309	0	34	-1.0	-47.29	309.20	4.16	-43.13
COC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019630309	1	34	-1.0	-46.60	309.18	4.14	-42.46
CN(C(=O)C1=CC=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL300019630310	0	23	-1.0	-42.12	238.32	5.98	-36.14
CN(C(=O)C1=CC=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL300019630310	1	23	-1.0	-42.19	238.18	5.97	-36.22
CC1=CC=C(N2N=C(Br)C=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019630311	0	33	-1.0	-43.77	300.04	7.17	-36.60
CC1=CC=C(N2N=C(Br)C=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019630311	1	33	-1.0	-43.65	300.19	7.15	-36.50
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)OC2=CC=C(Br)C=C21	REAL300019630312	0	31	-1.0	-53.86	293.94	7.56	-46.30
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)OC2=CC=C(Br)C=C21	REAL300019630312	1	31	-1.0	-53.93	293.80	7.59	-46.34
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019630313	0	35	-1.0	-48.29	306.33	4.32	-43.97
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019630313	1	35	-1.0	-48.42	306.20	4.36	-44.06
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)N(C)C1=NN=N[N-]1)S2	REAL300019630314	0	39	-1.0	-47.35	333.18	8.77	-38.58
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)N(C)C1=N[N-]N=N1)S2	REAL300019630314	1	39	-1.0	-47.28	333.33	8.77	-38.51
COC1=CC=C(C2=NN(CCC#N)C=C2C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019630315	0	43	-1.0	-54.00	381.80	8.32	-45.68
COC1=CC=C(C2=NN(CCC#N)C=C2C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019630315	1	43	-1.0	-53.86	381.94	8.30	-45.56
CC1=CC=C(C2=NN(CCC#N)C=C2C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL300019630316	0	43	-1.0	-56.81	365.45	8.79	-48.02
CC1=CC=C(C2=NN(CCC#N)C=C2C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL300019630316	1	43	-1.0	-56.68	365.58	8.77	-47.91
CN(C(=O)C1=CN(CCC#N)N=C1C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300019630317	0	39	-1.0	-55.08	348.96	8.31	-46.77
CN(C(=O)C1=CN(CCC#N)N=C1C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300019630317	1	39	-1.0	-55.06	349.10	8.29	-46.77
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL300019630318	0	34	-1.0	-51.60	297.63	2.00	-49.60
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL300019630318	1	34	-1.0	-51.66	297.49	2.03	-49.63
CN(C(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019630319	0	25	-1.0	-43.60	252.62	6.22	-37.38
CN(C(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019630319	1	25	-1.0	-43.68	252.48	6.20	-37.48
COC1=CC=C(C2=CN=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL300019630320	0	36	-1.0	-47.02	301.60	5.88	-41.14
COC1=CC=C(C2=CN=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL300019630320	1	36	-1.0	-46.88	301.73	5.86	-41.02
CN(C(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019630321	0	33	-1.0	-50.76	300.80	6.65	-44.11
CN(C(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019630321	1	33	-1.0	-50.82	300.66	6.69	-44.13
CN(C(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019630322	0	26	-1.0	-41.78	258.55	6.43	-35.35
CN(C(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019630322	1	26	-1.0	-41.85	258.41	6.43	-35.42
CN(C(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019630323	0	32	-1.0	-45.88	288.87	7.10	-38.78
CN(C(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019630323	1	32	-1.0	-45.81	289.01	7.09	-38.72
CCC(CC1=CC=CC=C1Br)C(=O)N(C)C1=N[N-]N=N1	REAL300019630324	0	35	-1.0	-47.85	299.00	8.12	-39.73
CCC(CC1=CC=CC=C1Br)C(=O)N(C)C1=NN=N[N-]1	REAL300019630324	1	35	-1.0	-47.96	298.87	8.15	-39.81
CN(C(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=NN=N[N-]1	REAL300019630325	0	37	-1.0	-47.96	308.07	6.44	-41.52
CN(C(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=N[N-]N=N1	REAL300019630325	1	37	-1.0	-47.93	308.20	6.42	-41.51
COC1=CC=C(Br)C(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630326	0	30	-1.0	-48.15	277.03	5.73	-42.42
COC1=CC=C(Br)C(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630326	1	30	-1.0	-48.22	276.90	5.76	-42.46
CC1=CC2=C(N3CCCC3C(=O)N(C)C3=NN=N[N-]3)N=CN=C2S1	REAL300019630327	0	39	-1.0	-55.40	328.71	6.85	-48.55
CC1=CC2=C(N3CCCC3C(=O)N(C)C3=N[N-]N=N3)N=CN=C2S1	REAL300019630327	1	39	-1.0	-55.30	328.85	6.84	-48.46
COC1=CC=C(C(=O)NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)S2)C=C1	REAL300019630328	0	38	-1.0	-53.20	332.75	5.24	-47.96
COC1=CC=C(C(=O)NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)S2)C=C1	REAL300019630328	1	38	-1.0	-53.32	332.59	5.25	-48.07
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019630329	0	33	-1.0	-48.25	299.70	7.49	-40.76
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300019630329	1	33	-1.0	-48.21	299.86	7.50	-40.71
CN(C(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=NN=N[N-]1	REAL300019630330	0	42	-1.0	-47.18	339.35	10.02	-37.16
CN(C(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=N[N-]N=N1	REAL300019630330	1	42	-1.0	-47.14	339.50	9.99	-37.15
CN(C(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019630331	0	30	-1.0	-53.24	272.28	5.58	-47.66
CN(C(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019630331	1	30	-1.0	-53.32	272.14	5.58	-47.74
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=N[N-]N=N1	REAL300019630332	0	26	-1.0	-44.97	262.72	6.52	-38.45
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=NN=N[N-]1	REAL300019630332	1	26	-1.0	-45.06	262.61	6.53	-38.53
COC1=CC=C(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL300019630333	0	40	-1.0	-49.70	311.45	5.84	-43.86
COC1=CC=C(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL300019630333	1	40	-1.0	-49.78	311.31	5.84	-43.94
CN(C(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=N[N-]N=N1	REAL300019630334	0	44	-1.0	-54.24	339.75	5.45	-48.79
CN(C(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=NN=N[N-]1	REAL300019630334	1	44	-1.0	-54.28	339.61	5.47	-48.81
CN(C(=O)C1=C(F)C=CC(OC(F)F)=C1F)C1=N[N-]N=N1	REAL300019630335	0	27	-1.0	-51.41	260.79	4.79	-46.62
CN(C(=O)C1=C(F)C=CC(OC(F)F)=C1F)C1=NN=N[N-]1	REAL300019630335	1	27	-1.0	-51.45	260.65	4.81	-46.64
CN(C(=O)C1=CC(I)=CC=C1F)C1=N[N-]N=N1	REAL300019630336	0	23	-1.0	-47.66	233.98	6.05	-41.61
CN(C(=O)C1=CC(I)=CC=C1F)C1=NN=N[N-]1	REAL300019630336	1	23	-1.0	-47.74	233.84	6.05	-41.69
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N(C)C1=N[N-]N=N1	REAL300019630337	0	46	-1.0	-56.20	370.60	7.62	-48.58
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N(C)C1=NN=N[N-]1	REAL300019630337	1	46	-1.0	-56.29	370.44	7.65	-48.64
COC1=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=C(Cl)N=C2C=C1	REAL300019630338	0	32	-1.0	-48.50	290.68	5.06	-43.44
COC1=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=C(Cl)N=C2C=C1	REAL300019630338	1	32	-1.0	-48.47	290.80	5.06	-43.41
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1N1CCNC1=O	REAL300019630339	0	36	-1.0	-55.15	301.79	4.83	-50.32
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1N1CCNC1=O	REAL300019630339	1	36	-1.0	-55.08	301.93	4.82	-50.26
CN(C(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL300019630340	0	33	-1.0	-55.01	298.96	4.69	-50.32
CN(C(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL300019630340	1	33	-1.0	-55.07	298.82	4.68	-50.39
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N(C)C1=N[N-]N=N1	REAL300019630341	0	40	-1.0	-55.99	335.50	6.18	-49.81
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N(C)C1=NN=N[N-]1	REAL300019630341	1	40	-1.0	-56.07	335.36	6.21	-49.86
CN(C(=O)C1(C2=C(Cl)C=CC=C2Cl)CC1)C1=N[N-]N=N1	REAL300019630342	0	30	-1.0	-47.62	273.20	7.36	-40.26
CN(C(=O)C1(C2=C(Cl)C=CC=C2Cl)CC1)C1=NN=N[N-]1	REAL300019630342	1	30	-1.0	-47.71	273.07	7.38	-40.33
CN(C(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=NN=N[N-]1	REAL300019630343	0	32	-1.0	-48.64	291.08	5.85	-42.79
CN(C(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=N[N-]N=N1	REAL300019630343	1	32	-1.0	-48.58	291.23	5.83	-42.75
CN(C(=O)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019630344	0	34	-1.0	-47.95	325.70	9.39	-38.56
CN(C(=O)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019630344	1	34	-1.0	-48.03	325.55	9.41	-38.62
CN(C(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=N[N-]N=N1	REAL300019630345	0	36	-1.0	-49.34	330.45	9.66	-39.68
CN(C(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NN=N[N-]1	REAL300019630345	1	36	-1.0	-49.48	330.31	9.65	-39.83
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(SC2=CC=CC=C2)=N1	REAL300019630346	0	36	-1.0	-52.72	320.92	8.10	-44.62
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(SC2=CC=CC=C2)=N1	REAL300019630346	1	36	-1.0	-52.67	321.06	8.09	-44.58
CN(C(=O)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1)C1=NN=N[N-]1	REAL300019630347	0	33	-1.0	-48.33	310.03	7.71	-40.62
CN(C(=O)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1)C1=N[N-]N=N1	REAL300019630347	1	33	-1.0	-48.26	310.17	7.70	-40.56
CN(C(=O)C1=CC=CC=C1COC1CCOCC1)C1=N[N-]N=N1	REAL300019630348	0	41	-1.0	-47.50	329.67	6.08	-41.42
CN(C(=O)C1=CC=CC=C1COC1CCOCC1)C1=NN=N[N-]1	REAL300019630348	1	41	-1.0	-47.52	329.53	6.10	-41.42
CCN1N=C(C(F)(F)F)C(C(=O)N(C)C2=N[N-]N=N2)=C1C(F)F	REAL300019630349	0	32	-1.0	-53.33	304.44	5.31	-48.02
CCN1N=C(C(F)(F)F)C(C(=O)N(C)C2=NN=N[N-]2)=C1C(F)F	REAL300019630349	1	32	-1.0	-53.40	304.29	5.33	-48.07
CN(C(=O)CCCC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019630350	0	32	-1.0	-49.43	294.05	8.17	-41.26
CN(C(=O)CCCC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019630350	1	32	-1.0	-49.49	293.91	8.20	-41.29
CN(C(=O)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1)C1=N[N-]N=N1	REAL300019630351	0	33	-1.0	-46.62	328.91	7.54	-39.08
CN(C(=O)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1)C1=NN=N[N-]1	REAL300019630351	1	33	-1.0	-46.70	328.77	7.56	-39.14
CN(C(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019630352	0	41	-1.0	-46.19	329.32	6.96	-39.23
CN(C(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019630352	1	41	-1.0	-46.25	329.18	6.98	-39.27
CC1=CC=C(N2C=C(C(=O)N(C)C3=NN=N[N-]3)C(C(C)(C)C)=N2)C=C1	REAL300019630353	0	45	-1.0	-47.02	357.38	9.10	-37.92
CC1=CC=C(N2C=C(C(=O)N(C)C3=N[N-]N=N3)C(C(C)(C)C)=N2)C=C1	REAL300019630353	1	45	-1.0	-46.95	357.53	9.08	-37.87
CN(C(=O)C1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C1=NN=N[N-]1	REAL300019630354	0	42	-1.0	-46.78	336.02	8.45	-38.33
CN(C(=O)C1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C1=N[N-]N=N1	REAL300019630354	1	42	-1.0	-46.70	336.17	8.44	-38.26
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(Br)S1	REAL300019630355	0	23	-1.0	-47.14	235.29	5.41	-41.73
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(Br)S1	REAL300019630355	1	23	-1.0	-47.21	235.15	5.42	-41.79
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300019630356	0	27	-1.0	-43.41	269.47	6.86	-36.55
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300019630356	1	27	-1.0	-43.44	269.33	6.86	-36.58
CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019630357	0	36	-1.0	-55.93	300.38	-0.18	-56.11
CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019630357	1	36	-1.0	-55.96	300.25	-0.16	-56.12
CN(C(=O)CCC(=O)N(CCC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630358	0	40	-1.0	-50.87	347.23	8.09	-42.78
CN(C(=O)CCC(=O)N(CCC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630358	1	40	-1.0	-50.93	347.09	8.12	-42.81
CC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019630359	0	33	-1.0	-47.19	297.37	4.80	-42.39
CC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019630359	1	33	-1.0	-47.26	297.22	4.81	-42.45
CC1=C(I)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630360	0	26	-1.0	-45.73	246.26	6.53	-39.20
CC1=C(I)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630360	1	26	-1.0	-45.82	246.12	6.54	-39.28
CN(C(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=NN=N[N-]1	REAL300019630361	0	33	-1.0	-60.27	302.74	7.10	-53.17
CN(C(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=N[N-]N=N1	REAL300019630361	1	33	-1.0	-60.19	302.88	7.11	-53.08
CN(C(=O)CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=N[N-]N=N1	REAL300019630362	0	34	-1.0	-46.73	319.52	3.26	-43.47
CN(C(=O)CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NN=N[N-]1	REAL300019630362	1	34	-1.0	-46.80	319.39	3.29	-43.51
CC1=CC=CC(I)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630363	0	26	-1.0	-48.12	254.88	6.62	-41.50
CC1=CC=CC(I)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630363	1	26	-1.0	-48.21	254.74	6.62	-41.59
CC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL300019630364	0	36	-1.0	-53.21	318.67	7.60	-45.61
CC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL300019630364	1	36	-1.0	-53.29	318.53	7.62	-45.67
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019630365	0	38	-1.0	-49.03	331.33	8.84	-40.19
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019630365	1	38	-1.0	-49.14	331.19	8.84	-40.30
CN(C(=O)C1=CC(F)=C(F)C=C1I)C1=N[N-]N=N1	REAL300019630366	0	23	-1.0	-40.08	236.34	6.09	-33.99
CN(C(=O)C1=CC(F)=C(F)C=C1I)C1=NN=N[N-]1	REAL300019630366	1	23	-1.0	-40.15	236.20	6.07	-34.08
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(I)=C1	REAL300019630367	0	27	-1.0	-45.92	258.61	5.27	-40.65
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(I)=C1	REAL300019630367	1	27	-1.0	-45.95	258.47	5.29	-40.66
CN(C(=O)C1=CC=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL300019630368	0	23	-1.0	-44.95	240.04	6.04	-38.91
CN(C(=O)C1=CC=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL300019630368	1	23	-1.0	-45.02	239.90	6.05	-38.97
CN(C(=O)C1=CC(I)=CC=C1Cl)C1=N[N-]N=N1	REAL300019630369	0	23	-1.0	-45.00	242.10	6.49	-38.51
CN(C(=O)C1=CC(I)=CC=C1Cl)C1=NN=N[N-]1	REAL300019630369	1	23	-1.0	-45.07	241.97	6.49	-38.58
CN(C(=O)CCCC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019630370	0	32	-1.0	-49.58	288.95	8.00	-41.58
CN(C(=O)CCCC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019630370	1	32	-1.0	-49.66	288.81	8.02	-41.64
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL300019630371	0	46	-1.0	-48.63	346.59	4.85	-43.78
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL300019630371	1	46	-1.0	-48.77	346.45	4.87	-43.90
CN(C(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL300019630372	0	35	-1.0	-54.96	304.37	8.79	-46.17
CN(C(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL300019630372	1	35	-1.0	-54.95	304.24	8.82	-46.13
CN(C(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019630373	0	38	-1.0	-53.50	312.81	7.62	-45.88
CN(C(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019630373	1	38	-1.0	-53.61	312.67	7.62	-45.99
CC1CCCC(OCCCCCC(=O)N(C)C2=N[N-]N=N2)C1	REAL300019630374	0	48	-1.0	-49.39	370.54	8.78	-40.61
CC1CCCC(OCCCCCC(=O)N(C)C2=NN=N[N-]2)C1	REAL300019630374	1	48	-1.0	-49.48	370.40	8.81	-40.67
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630375	0	33	-1.0	-53.59	288.30	7.84	-45.75
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630375	1	33	-1.0	-53.58	288.52	7.81	-45.77
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1)C1=NN=N[N-]1	REAL300019630376	0	33	-1.0	-50.65	315.75	7.95	-42.70
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1)C1=N[N-]N=N1	REAL300019630376	1	33	-1.0	-50.56	315.92	7.93	-42.63
CN(C(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=N[N-]N=N1	REAL300019630377	0	45	-1.0	-53.59	360.60	9.71	-43.88
CN(C(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=NN=N[N-]1	REAL300019630377	1	45	-1.0	-53.67	360.46	9.73	-43.94
CN(C(=O)COC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019630378	0	27	-1.0	-53.14	259.20	6.50	-46.64
CN(C(=O)COC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019630378	1	27	-1.0	-53.24	259.06	6.52	-46.72
CN(C(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=NN=N[N-]1	REAL300019630379	0	32	-1.0	-52.93	291.61	7.34	-45.59
CN(C(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=N[N-]N=N1	REAL300019630379	1	32	-1.0	-52.88	291.75	7.33	-45.55
CN(C(=O)C1=CC=C(Br)C=C1Br)C1=N[N-]N=N1	REAL300019630380	0	23	-1.0	-44.68	244.61	6.15	-38.53
CN(C(=O)C1=CC=C(Br)C=C1Br)C1=NN=N[N-]1	REAL300019630380	1	23	-1.0	-44.72	244.47	6.15	-38.57
CN(C(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=N[N-]N=N1	REAL300019630381	0	28	-1.0	-51.68	268.71	4.85	-46.83
CN(C(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=NN=N[N-]1	REAL300019630381	1	28	-1.0	-51.73	268.57	4.88	-46.85
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)C=C1Br	REAL300019630382	0	29	-1.0	-43.79	261.44	6.78	-37.01
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)C=C1Br	REAL300019630382	1	29	-1.0	-43.86	261.30	6.80	-37.06
CN(C(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300019630383	0	32	-1.0	-61.36	290.26	7.90	-53.46
CN(C(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300019630383	1	32	-1.0	-61.25	290.40	7.89	-53.36
CN(C(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019630384	0	50	-1.0	-38.96	395.47	7.14	-31.82
CN(C(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019630384	1	50	-1.0	-38.96	395.33	7.15	-31.81
CN(C(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019630385	0	33	-1.0	-57.89	299.45	3.38	-54.51
CN(C(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019630385	1	33	-1.0	-57.96	299.31	3.41	-54.55
CCCCCCCCCCC(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL300019630386	0	52	-1.0	-31.19	384.04	10.12	-21.07
CCCCCCCCCCC(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL300019630386	1	52	-1.0	-31.25	383.90	10.14	-21.11
CN(C(=O)C1=NC=CN2C(Br)=CN=C12)C1=NN=N[N-]1	REAL300019630387	0	25	-1.0	-53.87	247.60	5.40	-48.47
CN(C(=O)C1=NC=CN2C(Br)=CN=C12)C1=N[N-]N=N1	REAL300019630387	1	25	-1.0	-53.79	247.74	5.39	-48.40
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300019630388	0	41	-1.0	-46.50	337.66	8.14	-38.36
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300019630388	1	41	-1.0	-46.53	337.51	8.16	-38.37
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019630389	0	36	-1.0	-47.73	302.20	7.85	-39.88
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019630389	1	36	-1.0	-47.78	302.07	7.87	-39.91
CN(C(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019630390	0	46	-1.0	-31.78	333.74	5.81	-25.97
CN(C(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019630390	1	46	-1.0	-31.86	333.74	5.82	-26.04
CC(CC1=CC=C(Br)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019630391	0	32	-1.0	-44.93	283.06	7.60	-37.33
CC(CC1=CC=C(Br)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019630391	1	32	-1.0	-44.99	282.93	7.63	-37.36
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630392	0	35	-1.0	-53.45	302.79	3.81	-49.64
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630392	1	35	-1.0	-53.41	302.92	3.80	-49.61
CC1=CC(S(C)(=O)=O)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL300019630393	0	35	-1.0	-55.33	299.55	3.68	-51.65
CC1=CC(S(C)(=O)=O)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL300019630393	1	35	-1.0	-55.26	299.69	3.68	-51.58
CC1=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=CC(Br)=C1	REAL300019630394	0	29	-1.0	-42.35	276.27	7.07	-35.28
CC1=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=CC(Br)=C1	REAL300019630394	1	29	-1.0	-42.43	276.12	7.09	-35.34
COCCOC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC2=CC=CC=C21	REAL300019630395	0	39	-1.0	-49.05	329.83	5.93	-43.12
COCCOC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC2=CC=CC=C21	REAL300019630395	1	39	-1.0	-48.99	329.97	5.92	-43.07
CN(C(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019630396	0	32	-1.0	-47.55	306.04	6.95	-40.60
CN(C(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019630396	1	32	-1.0	-47.51	306.19	6.95	-40.56
CN(C(=O)CC1=CC=CC(OCCCOC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019630397	0	47	-1.0	-52.66	392.61	9.60	-43.06
CN(C(=O)CC1=CC=CC(OCCCOC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019630397	1	47	-1.0	-52.69	392.47	9.64	-43.05
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019630398	0	40	-1.0	-44.44	322.57	5.90	-38.54
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019630398	1	40	-1.0	-44.41	322.71	5.89	-38.52
CN(C(=O)C1=CC=C(Cl)C(Br)=C1)C1=N[N-]N=N1	REAL300019630399	0	23	-1.0	-42.24	238.32	5.98	-36.26
CN(C(=O)C1=CC=C(Cl)C(Br)=C1)C1=NN=N[N-]1	REAL300019630399	1	23	-1.0	-42.31	238.18	5.97	-36.34
CN(C(=O)C1=C2N=CC(Br)=CN2N=C1)C1=NN=N[N-]1	REAL300019630400	0	25	-1.0	-53.68	245.58	4.43	-49.25
CN(C(=O)C1=C2N=CC(Br)=CN2N=C1)C1=N[N-]N=N1	REAL300019630400	1	25	-1.0	-53.55	245.73	4.43	-49.12
CC1=C(Br)C=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019630401	0	28	-1.0	-43.73	264.61	6.62	-37.11
CC1=C(Br)C=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019630401	1	28	-1.0	-43.79	264.48	6.62	-37.17
CN(C(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019630402	0	35	-1.0	-47.90	326.18	9.31	-38.59
CN(C(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019630402	1	35	-1.0	-47.98	326.05	9.34	-38.64
CN(C(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=N[N-]N=N1	REAL300019630403	0	34	-1.0	-46.01	303.59	6.62	-39.39
CN(C(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=NN=N[N-]1	REAL300019630403	1	34	-1.0	-46.11	303.45	6.64	-39.47
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300019630404	0	30	-1.0	-49.00	280.32	7.29	-41.71
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300019630404	1	30	-1.0	-48.93	280.46	7.28	-41.65
CN(C(=O)C1=CC=C(S(C)(=O)=O)C(Br)=C1)C1=N[N-]N=N1	REAL300019630405	0	29	-1.0	-50.30	275.68	2.96	-47.34
CN(C(=O)C1=CC=C(S(C)(=O)=O)C(Br)=C1)C1=NN=N[N-]1	REAL300019630405	1	29	-1.0	-50.36	275.53	2.95	-47.41
CN(C(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630406	0	41	-1.0	-49.91	331.43	9.75	-40.16
CN(C(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630406	1	41	-1.0	-49.98	331.30	9.77	-40.21
CC1=CC=C(CC2=NC(C(=O)N(C)C3=N[N-]N=N3)=CS2)C=C1	REAL300019630407	0	35	-1.0	-49.09	314.23	8.07	-41.02
CC1=CC=C(CC2=NC(C(=O)N(C)C3=NN=N[N-]3)=CS2)C=C1	REAL300019630407	1	35	-1.0	-49.16	314.08	8.09	-41.07
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300019630408	0	29	-1.0	-46.92	262.18	6.85	-40.07
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300019630408	1	29	-1.0	-46.97	262.04	6.87	-40.10
CC(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300019630409	0	39	-1.0	-49.95	319.14	8.29	-41.66
CC(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300019630409	1	39	-1.0	-49.90	319.29	8.28	-41.62
CN(C(=O)C1=CC(I)=C(F)C=C1F)C1=N[N-]N=N1	REAL300019630410	0	23	-1.0	-43.85	239.48	6.08	-37.77
CN(C(=O)C1=CC(I)=C(F)C=C1F)C1=NN=N[N-]1	REAL300019630410	1	23	-1.0	-43.88	239.34	6.08	-37.80
CN(C(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1=NN=N[N-]1	REAL300019630411	0	29	-1.0	-46.22	270.50	7.79	-38.43
CN(C(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1=N[N-]N=N1	REAL300019630411	1	29	-1.0	-46.20	270.64	7.79	-38.41
CN(C(=O)C1=NOC(COC2=CC=C(Cl)C=C2Cl)=C1)C1=N[N-]N=N1	REAL300019630412	0	33	-1.0	-48.07	325.69	7.36	-40.71
CN(C(=O)C1=NOC(COC2=CC=C(Cl)C=C2Cl)=C1)C1=NN=N[N-]1	REAL300019630412	1	33	-1.0	-48.12	325.55	7.38	-40.74
CN(C(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=NN=N[N-]1	REAL300019630413	0	34	-1.0	-42.55	296.87	6.07	-36.48
CN(C(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=N[N-]N=N1	REAL300019630413	1	34	-1.0	-42.51	297.01	6.06	-36.45
CNC(=O)COC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630414	0	37	-1.0	-59.87	319.89	4.81	-55.06
CNC(=O)COC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630414	1	37	-1.0	-59.96	319.75	4.85	-55.11
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1=CC=CC=N1	REAL300019630415	0	36	-1.0	-50.65	301.69	6.60	-44.05
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1=CC=CC=N1	REAL300019630415	1	36	-1.0	-50.58	301.83	6.60	-43.98
CCCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1OCCC	REAL300019630416	0	46	-1.0	-50.95	375.32	8.61	-42.34
CCCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1OCCC	REAL300019630416	1	46	-1.0	-51.01	375.19	8.64	-42.37
CN(C(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019630417	0	44	-1.0	-51.37	345.45	7.02	-44.35
CN(C(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019630417	1	44	-1.0	-51.44	345.32	7.06	-44.38
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1NC(=O)OC(C)(C)C	REAL300019630418	0	43	-1.0	-48.93	340.74	5.98	-42.95
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300019630418	1	43	-1.0	-49.03	340.60	5.97	-43.06
CN(C(=O)CC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300019630419	0	26	-1.0	-47.75	256.58	6.63	-41.12
CN(C(=O)CC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300019630419	1	26	-1.0	-47.83	256.44	6.65	-41.18
CN(C(=O)CC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL300019630420	0	26	-1.0	-45.72	264.27	6.96	-38.76
CN(C(=O)CC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL300019630420	1	26	-1.0	-45.81	264.14	6.98	-38.83
CN(C(=O)CC1=CC=CC=C1I)C1=N[N-]N=N1	REAL300019630421	0	26	-1.0	-46.35	253.06	6.88	-39.47
CN(C(=O)CC1=CC=CC=C1I)C1=NN=N[N-]1	REAL300019630421	1	26	-1.0	-46.43	252.93	6.90	-39.53
CN(C(=O)CC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300019630422	0	26	-1.0	-46.01	253.96	6.51	-39.50
CN(C(=O)CC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300019630422	1	26	-1.0	-46.04	253.82	6.54	-39.50
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL300019630423	0	42	-1.0	-55.32	350.33	5.82	-49.50
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL300019630423	1	42	-1.0	-55.44	350.18	5.84	-49.60
CN(C(=O)CSC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019630424	0	27	-1.0	-48.17	269.69	7.08	-41.09
CN(C(=O)CSC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019630424	1	27	-1.0	-48.23	269.55	7.11	-41.12
CCC1(C(=O)N(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019630425	0	46	-1.0	-58.85	347.49	5.89	-52.96
CCC1(C(=O)N(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019630425	1	46	-1.0	-58.89	347.35	5.90	-52.99
CN(C)C(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL300019630426	0	35	-1.0	-56.42	308.03	5.22	-51.20
CN(C)C(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL300019630426	1	35	-1.0	-56.53	307.89	5.24	-51.29
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019630427	0	43	-1.0	-60.45	353.75	7.84	-52.61
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019630427	1	43	-1.0	-60.54	353.61	7.84	-52.70
CN(C(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019630428	0	26	-1.0	-42.00	254.95	6.35	-35.65
CN(C(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019630428	1	26	-1.0	-42.05	254.81	6.35	-35.70
CN(C(=O)C(C)(C)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019630429	0	44	-1.0	-50.16	328.99	9.18	-40.98
CN(C(=O)C(C)(C)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019630429	1	44	-1.0	-50.29	328.86	9.19	-41.10
CC(C)COC1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630430	0	40	-1.0	-53.54	331.72	7.57	-45.97
CC(C)COC1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630430	1	40	-1.0	-53.63	331.59	7.60	-46.03
CN(C(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019630431	0	28	-1.0	-42.90	270.37	6.61	-36.29
CN(C(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019630431	1	28	-1.0	-43.05	270.23	6.60	-36.45
CN(C(=O)C1=CC(Cl)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019630432	0	23	-1.0	-42.56	241.16	6.05	-36.51
CN(C(=O)C1=CC(Cl)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019630432	1	23	-1.0	-42.63	241.02	6.04	-36.59
CN(C(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=NN=N[N-]1	REAL300019630433	0	35	-1.0	-45.38	313.55	8.46	-36.92
CN(C(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=N[N-]N=N1	REAL300019630433	1	35	-1.0	-45.58	313.66	8.44	-37.14
CN(C(=O)C1(C)CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019630434	0	43	-1.0	-58.67	324.37	6.09	-52.58
CN(C(=O)C1(C)CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019630434	1	43	-1.0	-58.76	324.24	6.07	-52.69
CN(C(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630435	0	46	-1.0	-52.88	374.46	7.37	-45.51
CN(C(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630435	1	46	-1.0	-52.98	374.33	7.40	-45.58
CN(C(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019630436	0	30	-1.0	-47.84	275.87	5.77	-42.07
CN(C(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019630436	1	30	-1.0	-47.93	275.73	5.79	-42.14
CN(C(=O)C1(OCC2=CC=CC=C2)CCOCC1)C1=N[N-]N=N1	REAL300019630437	0	41	-1.0	-47.31	323.33	6.09	-41.22
CN(C(=O)C1(OCC2=CC=CC=C2)CCOCC1)C1=NN=N[N-]1	REAL300019630437	1	41	-1.0	-47.37	323.19	6.11	-41.26
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019630438	0	37	-1.0	-44.75	305.49	5.26	-39.49
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019630438	1	37	-1.0	-44.70	305.63	5.24	-39.46
CN(C(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019630439	0	36	-1.0	-50.24	335.60	7.63	-42.61
CN(C(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019630439	1	36	-1.0	-50.31	335.47	7.64	-42.67
CN(C(=O)C1=CN(CCOC2=CC=CC=C2Cl)C(=O)C=C1)C1=N[N-]N=N1	REAL300019630440	0	40	-1.0	-50.93	361.42	8.04	-42.89
CN(C(=O)C1=CN(CCOC2=CC=CC=C2Cl)C(=O)C=C1)C1=NN=N[N-]1	REAL300019630440	1	40	-1.0	-50.97	361.29	8.04	-42.93
CN(C(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300019630441	0	39	-1.0	-51.45	333.89	7.56	-43.89
CN(C(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300019630441	1	39	-1.0	-51.50	333.76	7.59	-43.91
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL300019630442	0	29	-1.0	-42.40	277.90	5.76	-36.64
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL300019630442	1	29	-1.0	-42.31	278.04	5.75	-36.56
COC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019630443	0	39	-1.0	-51.54	321.21	6.67	-44.87
COC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019630443	1	39	-1.0	-51.44	321.35	6.67	-44.77
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630444	0	42	-1.0	-49.35	376.64	9.71	-39.64
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630444	1	42	-1.0	-49.45	376.50	9.74	-39.71
CN(C(=O)CSC1=NN=C(C2=CC=CO2)N1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630445	0	40	-1.0	-51.11	366.78	9.97	-41.14
CN(C(=O)CSC1=NN=C(C2=CC=CO2)N1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630445	1	40	-1.0	-51.23	366.64	9.99	-41.24
CN(C(=O)C1CC(=O)N(CCOC2=CC=CC=C2Cl)C1)C1=N[N-]N=N1	REAL300019630446	0	41	-1.0	-52.72	358.48	6.99	-45.73
CN(C(=O)C1CC(=O)N(CCOC2=CC=CC=C2Cl)C1)C1=NN=N[N-]1	REAL300019630446	1	41	-1.0	-52.77	358.36	7.02	-45.75
CN(C(=O)CC1=CC=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300019630447	0	26	-1.0	-47.85	256.88	6.63	-41.22
CN(C(=O)CC1=CC=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300019630447	1	26	-1.0	-47.95	256.74	6.67	-41.28
CN(C(=O)C1=CC=CC(F)=C1I)C1=N[N-]N=N1	REAL300019630448	0	23	-1.0	-47.96	229.21	6.00	-41.96
CN(C(=O)C1=CC=CC(F)=C1I)C1=NN=N[N-]1	REAL300019630448	1	23	-1.0	-48.08	229.07	5.99	-42.09
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N(C)C1=N[N-]N=N1	REAL300019630449	0	48	-1.0	-50.50	377.47	9.44	-41.06
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N(C)C1=NN=N[N-]1	REAL300019630449	1	48	-1.0	-50.65	377.34	9.47	-41.18
CN(C(=O)CCCOC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300019630450	0	40	-1.0	-51.85	326.77	8.27	-43.58
CN(C(=O)CCCOC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300019630450	1	40	-1.0	-51.93	326.63	8.31	-43.62
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)N1CCCS1(=O)=O	REAL300019630451	0	37	-1.0	-54.11	300.01	2.45	-51.66
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)N1CCCS1(=O)=O	REAL300019630451	1	37	-1.0	-54.13	299.88	2.46	-51.67
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019630452	0	34	-1.0	-43.81	309.37	8.22	-35.59
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019630452	1	34	-1.0	-43.76	309.50	8.22	-35.54
CN(C(=O)C(C)(C)C1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019630453	0	42	-1.0	-51.98	326.93	10.27	-41.71
CN(C(=O)C(C)(C)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019630453	1	42	-1.0	-52.05	326.79	10.29	-41.76
COC1(C(=O)N(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019630454	0	47	-1.0	-45.72	345.67	4.93	-40.79
COC1(C(=O)N(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019630454	1	47	-1.0	-45.80	345.53	4.95	-40.85
COC(=O)[C@H](CCC(=O)N(C)C1=N[N-]N=N1)NC(=O)OCC1=CC=CC=C1	REAL300019630455	0	46	-1.0	-52.22	398.41	6.85	-45.37
COC(=O)[C@H](CCC(=O)N(C)C1=NN=N[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300019630455	1	46	-1.0	-52.36	398.28	6.89	-45.47
CN(C(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL300019630456	0	29	-1.0	-42.27	297.09	7.10	-35.17
CN(C(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL300019630456	1	29	-1.0	-42.20	297.23	7.07	-35.13
C=C(C)CN1C(SCC(=O)N(C)C2=N[N-]N=N2)=NN=C1C1=CC=CO1	REAL300019630457	0	40	-1.0	-48.63	357.85	8.58	-40.05
C=C(C)CN1C(SCC(=O)N(C)C2=NN=N[N-]2)=NN=C1C1=CC=CO1	REAL300019630457	1	40	-1.0	-48.66	357.72	8.60	-40.06
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1CC1=CC=CO1)C1=N[N-]N=N1	REAL300019630458	0	42	-1.0	-49.13	375.60	8.44	-40.69
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1CC1=CC=CO1)C1=NN=N[N-]1	REAL300019630458	1	42	-1.0	-49.18	375.47	8.46	-40.72
CN(C(=O)CCCOC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019630459	0	43	-1.0	-51.43	343.97	8.85	-42.58
CN(C(=O)CCCOC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019630459	1	43	-1.0	-51.51	343.83	8.89	-42.62
CN(C(=O)CCCOC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019630460	0	36	-1.0	-54.18	307.30	5.01	-49.17
CN(C(=O)CCCOC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019630460	1	36	-1.0	-54.27	307.16	5.04	-49.23
CN(C(=O)CSC1=NN=C(C2=CC=CO2)N1CC1=CC=CO1)C1=N[N-]N=N1	REAL300019630461	0	40	-1.0	-51.20	368.77	8.60	-42.60
CN(C(=O)CSC1=NN=C(C2=CC=CO2)N1CC1=CC=CO1)C1=NN=N[N-]1	REAL300019630461	1	40	-1.0	-51.20	368.63	8.63	-42.57
CN(C(=O)CC1=CNC2=CC(Br)=CC=C12)C1=N[N-]N=N1	REAL300019630462	0	30	-1.0	-50.60	283.05	6.64	-43.96
CN(C(=O)CC1=CNC2=CC(Br)=CC=C12)C1=NN=N[N-]1	REAL300019630462	1	30	-1.0	-50.68	282.91	6.66	-44.02
CN(C(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=N[N-]N=N1	REAL300019630463	0	29	-1.0	-50.51	287.10	5.32	-45.19
CN(C(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=NN=N[N-]1	REAL300019630463	1	29	-1.0	-50.53	286.96	5.32	-45.21
CN(C(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL300019630464	0	29	-1.0	-48.64	283.01	7.84	-40.80
CN(C(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL300019630464	1	29	-1.0	-48.68	282.87	7.87	-40.81
CN(C(=O)C(C1=CC=C(Br)C=C1)N1CCCC1)C1=N[N-]N=N1	REAL300019630465	0	38	-1.0	-46.95	324.09	6.53	-40.42
CN(C(=O)C(C1=CC=C(Br)C=C1)N1CCCC1)C1=NN=N[N-]1	REAL300019630465	1	38	-1.0	-46.99	323.95	6.55	-40.44
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL300019630466	0	39	-1.0	-60.50	343.54	5.31	-55.19
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL300019630466	1	39	-1.0	-60.42	343.67	5.27	-55.15
CC(C(=O)N(C)C1=N[N-]N=N1)S(=O)(=O)C1CCOCC1	REAL300019630467	0	36	-1.0	-50.08	296.47	2.10	-47.98
CC(C(=O)N(C)C1=NN=N[N-]1)S(=O)(=O)C1CCOCC1	REAL300019630467	1	36	-1.0	-50.17	296.34	2.11	-48.06
CN(C(=O)C1=CC(F)=C(F)C=C1Br)C1=N[N-]N=N1	REAL300019630468	0	23	-1.0	-41.28	230.79	5.64	-35.64
CN(C(=O)C1=CC(F)=C(F)C=C1Br)C1=NN=N[N-]1	REAL300019630468	1	23	-1.0	-41.37	230.64	5.63	-35.74
CC1=CC=C(C(C)C)C(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630469	0	42	-1.0	-46.68	339.75	8.30	-38.38
CC1=CC=C(C(C)C)C(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630469	1	42	-1.0	-46.75	339.62	8.32	-38.43
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630470	0	35	-1.0	-50.41	303.96	5.07	-45.34
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630470	1	35	-1.0	-50.50	303.82	5.08	-45.42
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC(Br)=C2)=NO1	REAL300019630471	0	32	-1.0	-47.12	306.79	7.57	-39.55
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC(Br)=C2)=NO1	REAL300019630471	1	32	-1.0	-47.03	306.93	7.56	-39.47
CN(C(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019630472	0	38	-1.0	-51.88	317.42	4.05	-47.83
CN(C(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019630472	1	38	-1.0	-51.97	317.28	4.07	-47.90
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC1CCCC1	REAL300019630473	0	41	-1.0	-48.64	327.57	7.05	-41.59
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC1CCCC1	REAL300019630473	1	41	-1.0	-48.73	327.43	7.06	-41.67
CN(C(=O)C(C1=C(F)C=CC=C1Cl)N1CCCCC1)C1=N[N-]N=N1	REAL300019630474	0	41	-1.0	-47.14	330.62	8.45	-38.69
CN(C(=O)C(C1=C(F)C=CC=C1Cl)N1CCCCC1)C1=NN=N[N-]1	REAL300019630474	1	41	-1.0	-47.25	330.47	8.48	-38.77
CN(C(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019630475	0	40	-1.0	-48.54	319.05	8.37	-40.17
CN(C(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019630475	1	40	-1.0	-48.61	318.91	8.39	-40.22
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019630476	0	39	-1.0	-48.54	328.34	4.37	-44.17
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019630476	1	39	-1.0	-48.64	328.19	4.39	-44.25
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300019630477	0	39	-1.0	-48.39	319.62	7.99	-40.40
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300019630477	1	39	-1.0	-48.31	319.78	7.96	-40.35
CN(C(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=NN=N[N-]1	REAL300019630478	0	33	-1.0	-41.87	298.96	4.71	-37.16
CN(C(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=N[N-]N=N1	REAL300019630478	1	33	-1.0	-41.77	299.09	4.70	-37.07
CN(C(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL300019630479	0	32	-1.0	-48.59	299.23	7.46	-41.13
CN(C(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL300019630479	1	32	-1.0	-48.66	299.09	7.48	-41.18
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300019630480	0	34	-1.0	-54.79	304.55	7.55	-47.24
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC(C#N)=C1	REAL300019630480	1	34	-1.0	-54.76	304.69	7.55	-47.21
CC1=CC(F)=CC=C1N1C=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL300019630481	0	33	-1.0	-48.30	290.89	7.82	-40.48
CC1=CC(F)=CC=C1N1C=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL300019630481	1	33	-1.0	-48.28	291.02	7.82	-40.46
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630482	0	35	-1.0	-48.57	313.56	8.23	-40.34
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630482	1	35	-1.0	-48.43	313.69	8.22	-40.21
CN(C(=O)C1=CC=C(Br)C=C1OC(F)F)C1=N[N-]N=N1	REAL300019630483	0	27	-1.0	-47.43	264.45	5.69	-41.74
CN(C(=O)C1=CC=C(Br)C=C1OC(F)F)C1=NN=N[N-]1	REAL300019630483	1	27	-1.0	-47.48	264.31	5.70	-41.78
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1Br)C1=N[N-]N=N1	REAL300019630484	0	25	-1.0	-51.88	245.97	6.04	-45.84
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1Br)C1=NN=N[N-]1	REAL300019630484	1	25	-1.0	-51.97	245.84	6.05	-45.92
CN(C(=O)CCC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300019630485	0	29	-1.0	-45.70	274.87	7.32	-38.38
CN(C(=O)CCC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300019630485	1	29	-1.0	-45.76	274.74	7.35	-38.41
CN(C(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019630486	0	29	-1.0	-54.63	288.72	7.51	-47.12
CN(C(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019630486	1	29	-1.0	-54.70	288.59	7.53	-47.17
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCCC1	REAL300019630487	0	42	-1.0	-47.74	332.03	7.57	-40.17
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCCC1	REAL300019630487	1	42	-1.0	-47.82	331.88	7.60	-40.22
CC(C)COC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL300019630488	0	35	-1.0	-41.81	308.88	4.62	-37.19
CC(C)COC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL300019630488	1	35	-1.0	-41.75	309.02	4.61	-37.14
CN(C(=O)C1=NC=CN=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630489	0	32	-1.0	-51.38	292.74	6.66	-44.72
CN(C(=O)C1=NC=CN=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630489	1	32	-1.0	-51.26	292.88	6.67	-44.59
CN(C(=O)C1=NC2=CC=C(Cl)C=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019630490	0	28	-1.0	-43.44	276.78	7.28	-36.16
CN(C(=O)C1=NC2=CC=C(Cl)C=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019630490	1	28	-1.0	-43.40	276.92	7.27	-36.13
CN(C(=O)C1=C(Br)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019630491	0	30	-1.0	-46.93	280.05	6.47	-40.46
CN(C(=O)C1=C(Br)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019630491	1	30	-1.0	-46.86	280.19	6.44	-40.42
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019630492	0	35	-1.0	-44.58	319.37	6.46	-38.12
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019630492	1	35	-1.0	-44.46	319.51	6.44	-38.02
CN(C(=O)C1=CC=C(C2=CC=C(Br)S2)S1)C1=N[N-]N=N1	REAL300019630493	0	27	-1.0	-44.47	285.11	7.45	-37.02
CN(C(=O)C1=CC=C(C2=CC=C(Br)S2)S1)C1=NN=N[N-]1	REAL300019630493	1	27	-1.0	-44.55	284.96	7.45	-37.10
CC1=CC(N2CC(C(=O)N(C)C3=N[N-]N=N3)CC2=O)=CC=C1F	REAL300019630494	0	37	-1.0	-46.92	310.66	6.89	-40.03
CC1=CC(N2CC(C(=O)N(C)C3=NN=N[N-]3)CC2=O)=CC=C1F	REAL300019630494	1	37	-1.0	-47.01	310.52	6.92	-40.09
CC1=CC(Br)=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630495	0	26	-1.0	-44.56	265.74	6.69	-37.87
CC1=CC(Br)=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630495	1	26	-1.0	-44.64	265.61	6.70	-37.94
CN(C(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019630496	0	31	-1.0	-48.70	281.91	4.08	-44.62
CN(C(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019630496	1	31	-1.0	-48.80	281.77	4.09	-44.71
COC1=CC=C(SC)C(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630497	0	35	-1.0	-55.98	304.75	4.83	-51.15
COC1=CC=C(SC)C(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630497	1	35	-1.0	-55.95	304.87	4.82	-51.13
CC1=C(C)N2C(=NC=C(C(=O)N(C)C3=NN=N[N-]3)C2=O)S1	REAL300019630498	0	31	-1.0	-59.01	280.71	5.43	-53.58
CC1=C(C)N2C(=NC=C(C(=O)N(C)C3=N[N-]N=N3)C2=O)S1	REAL300019630498	1	31	-1.0	-59.00	280.84	5.42	-53.58
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300019630499	0	33	-1.0	-48.60	299.07	7.71	-40.89
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1	REAL300019630499	1	33	-1.0	-48.58	299.22	7.69	-40.89
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019630500	0	32	-1.0	-43.83	296.66	6.49	-37.34
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019630500	1	32	-1.0	-43.71	296.80	6.48	-37.23
CN(C(=O)C1=C(Cl)C=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300019630501	0	29	-1.0	-56.66	270.03	3.93	-52.73
CN(C(=O)C1=C(Cl)C=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300019630501	1	29	-1.0	-56.66	270.17	3.95	-52.71
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630502	0	38	-1.0	-48.59	335.19	9.01	-39.58
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630502	1	38	-1.0	-48.65	335.06	9.01	-39.64
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300019630503	0	29	-1.0	-46.10	271.35	5.71	-40.39
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300019630503	1	29	-1.0	-46.15	271.21	5.74	-40.41
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300019630504	0	26	-1.0	-45.14	253.01	6.39	-38.75
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300019630504	1	26	-1.0	-45.20	252.88	6.39	-38.81
CN(C(=O)C1=COC(C2=CC=C(Br)C=C2F)=N1)C1=NN=N[N-]1	REAL300019630505	0	29	-1.0	-44.21	288.07	5.42	-38.79
CN(C(=O)C1=COC(C2=CC=C(Br)C=C2F)=N1)C1=N[N-]N=N1	REAL300019630505	1	29	-1.0	-44.14	288.22	5.39	-38.75
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N(C)C1=N[N-]N=N1	REAL300019630506	0	38	-1.0	-54.61	313.82	6.03	-48.58
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N(C)C1=NN=N[N-]1	REAL300019630506	1	38	-1.0	-54.68	313.69	6.06	-48.62
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019630507	0	34	-1.0	-48.45	308.25	8.29	-40.16
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019630507	1	34	-1.0	-48.50	308.11	8.28	-40.22
CN(C(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL300019630508	0	29	-1.0	-48.39	270.83	5.61	-42.78
CN(C(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL300019630508	1	29	-1.0	-48.33	270.97	5.60	-42.73
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630509	0	35	-1.0	-50.10	303.14	2.33	-47.77
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630509	1	35	-1.0	-50.19	303.00	2.36	-47.83
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL300019630510	0	40	-1.0	-60.35	341.91	6.81	-53.54
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL300019630510	1	40	-1.0	-60.41	341.78	6.83	-53.58
CN(C(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=N[N-]N=N1	REAL300019630511	0	34	-1.0	-52.66	303.62	6.68	-45.98
CN(C(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=NN=N[N-]1	REAL300019630511	1	34	-1.0	-52.73	303.50	6.71	-46.02
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)C1=NN=N[N-]1	REAL300019630512	0	38	-1.0	-49.16	306.25	5.46	-43.70
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)C1=N[N-]N=N1	REAL300019630512	1	38	-1.0	-49.08	306.36	5.46	-43.62
CN(C(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019630513	0	41	-1.0	-45.73	347.96	7.07	-38.66
CN(C(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019630513	1	41	-1.0	-45.84	347.82	7.10	-38.74
COCC1=NN=C(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)O1	REAL300019630514	0	35	-1.0	-57.65	309.58	0.61	-57.04
COCC1=NN=C(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)O1	REAL300019630514	1	35	-1.0	-57.58	309.71	0.62	-56.96
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019630515	0	30	-1.0	-50.07	297.69	8.02	-42.05
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019630515	1	30	-1.0	-49.95	297.84	8.01	-41.94
CN(C(=O)C1=CC(Br)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019630516	0	23	-1.0	-42.35	246.02	6.15	-36.20
CN(C(=O)C1=CC(Br)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019630516	1	23	-1.0	-42.43	245.89	6.15	-36.28
CC(C)C1=CC=CC(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)O2)=C1	REAL300019630517	0	39	-1.0	-46.08	326.09	9.09	-36.99
CC(C)C1=CC=CC(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)O2)=C1	REAL300019630517	1	39	-1.0	-45.94	326.24	9.07	-36.87
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630518	0	39	-1.0	-57.78	333.15	4.11	-53.67
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630518	1	39	-1.0	-57.88	333.01	4.13	-53.75
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019630519	0	33	-1.0	-49.52	314.40	8.14	-41.38
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019630519	1	33	-1.0	-49.61	314.26	8.16	-41.45
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL300019630520	0	33	-1.0	-48.92	288.75	7.26	-41.66
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL300019630520	1	33	-1.0	-48.91	288.91	7.24	-41.67
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300019630521	0	33	-1.0	-50.71	300.45	7.68	-43.03
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300019630521	1	33	-1.0	-50.66	300.59	7.67	-42.99
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300019630522	0	39	-1.0	-49.71	326.36	8.51	-41.20
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300019630522	1	39	-1.0	-49.60	326.50	8.50	-41.10
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630523	0	40	-1.0	-50.49	333.02	8.90	-41.59
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630523	1	40	-1.0	-50.42	333.15	8.91	-41.51
CN(C(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019630524	0	39	-1.0	-44.09	313.64	5.44	-38.65
CN(C(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019630524	1	39	-1.0	-43.98	313.77	5.43	-38.55
CN(C(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300019630525	0	34	-1.0	-46.11	318.98	9.51	-36.60
CN(C(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300019630525	1	34	-1.0	-46.17	318.84	9.50	-36.67
CC(C)N1C(=O)CC(C(=O)N(C)C2=N[N-]N=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300019630526	0	43	-1.0	-56.51	353.63	8.13	-48.38
CC(C)N1C(=O)CC(C(=O)N(C)C2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300019630526	1	43	-1.0	-56.62	353.49	8.14	-48.48
CC1=CC=C(SC2CCCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630527	0	40	-1.0	-52.99	326.24	9.26	-43.73
CC1=CC=C(SC2CCCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630527	1	40	-1.0	-52.97	326.36	9.25	-43.72
CN(C(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019630528	0	43	-1.0	-52.76	351.95	6.21	-46.55
CN(C(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019630528	1	43	-1.0	-52.87	351.81	6.24	-46.63
CN(C(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019630529	0	38	-1.0	-46.63	311.42	7.61	-39.02
CN(C(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019630529	1	38	-1.0	-46.74	311.28	7.61	-39.13
CN(C(=O)C1=CC=C(Br)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019630530	0	26	-1.0	-48.00	253.20	6.51	-41.49
CN(C(=O)C1=CC=C(Br)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019630530	1	26	-1.0	-48.07	253.06	6.51	-41.56
COC1=CC=CC(C2C(C(=O)N(C)C3=N[N-]N=N3)CC(=O)N2C2CC2)=C1	REAL300019630531	0	45	-1.0	-50.35	361.16	7.46	-42.89
COC1=CC=CC(C2C(C(=O)N(C)C3=NN=N[N-]3)CC(=O)N2C2CC2)=C1	REAL300019630531	1	45	-1.0	-50.44	361.02	7.49	-42.95
CN(C(=O)C1=CC=CC=C1OC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300019630532	0	35	-1.0	-60.10	315.51	8.55	-51.55
CN(C(=O)C1=CC=CC=C1OC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300019630532	1	35	-1.0	-60.06	315.64	8.54	-51.52
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2CCCCC2)=N1	REAL300019630533	0	38	-1.0	-43.85	310.08	6.59	-37.26
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2CCCCC2)=N1	REAL300019630533	1	38	-1.0	-43.93	309.93	6.61	-37.32
CC1=CC(Br)=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL300019630534	0	29	-1.0	-46.89	267.93	7.07	-39.82
CC1=CC(Br)=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL300019630534	1	29	-1.0	-46.96	267.80	7.10	-39.86
COC1=CC=C(N2N=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C)C=C1	REAL300019630535	0	37	-1.0	-50.83	311.83	6.49	-44.34
COC1=CC=C(N2N=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C)C=C1	REAL300019630535	1	37	-1.0	-50.80	311.95	6.47	-44.33
COC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCCC2)C=C1OC	REAL300019630536	0	44	-1.0	-52.52	333.81	6.74	-45.78
COC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCCC2)C=C1OC	REAL300019630536	1	44	-1.0	-52.60	333.67	6.75	-45.85
CN(C(=O)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1)C1=N[N-]N=N1	REAL300019630537	0	34	-1.0	-46.70	316.21	7.31	-39.39
CN(C(=O)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1)C1=NN=N[N-]1	REAL300019630537	1	34	-1.0	-46.75	316.06	7.34	-39.41
CC1=CC(F)=C2NC(=O)C=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL300019630538	0	32	-1.0	-43.67	287.02	4.87	-38.80
CC1=CC(F)=C2NC(=O)C=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL300019630538	1	32	-1.0	-43.59	287.16	4.88	-38.71
CN(C(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300019630539	0	39	-1.0	-52.02	335.84	7.49	-44.53
CN(C(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300019630539	1	39	-1.0	-51.94	335.97	7.47	-44.47
COCCC1=NN=C(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)O1	REAL300019630540	0	38	-1.0	-55.49	331.21	1.40	-54.09
COCCC1=NN=C(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)O1	REAL300019630540	1	38	-1.0	-55.55	331.07	1.39	-54.16
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N(C)C3=N[N-]N=N3)=NO2)=C1	REAL300019630541	0	38	-1.0	-54.45	334.18	6.70	-47.75
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N(C)C3=NN=N[N-]3)=NO2)=C1	REAL300019630541	1	38	-1.0	-54.52	334.04	6.72	-47.80
CN(C(=O)C1=CC(Cl)=CC=C1SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019630542	0	34	-1.0	-45.09	332.46	9.99	-35.10
CN(C(=O)C1=CC(Cl)=CC=C1SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019630542	1	34	-1.0	-45.13	332.29	10.00	-35.13
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630543	0	35	-1.0	-48.90	310.19	8.02	-40.88
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630543	1	35	-1.0	-48.89	310.33	8.01	-40.88
CN(C(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019630544	0	50	-1.0	-62.12	390.59	7.30	-54.82
CN(C(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019630544	1	50	-1.0	-62.21	390.46	7.33	-54.88
CN(C(=O)C1CC(=O)N(C)C1C1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300019630545	0	37	-1.0	-50.65	327.51	7.12	-43.53
CN(C(=O)C1CC(=O)N(C)C1C1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300019630545	1	37	-1.0	-50.75	327.38	7.16	-43.59
CN(C(=O)C1(C2=CC=C(F)C=C2F)CCCC1)C1=N[N-]N=N1	REAL300019630546	0	36	-1.0	-43.72	281.75	7.89	-35.83
CN(C(=O)C1(C2=CC=C(F)C=C2F)CCCC1)C1=NN=N[N-]1	REAL300019630546	1	36	-1.0	-43.81	281.65	7.89	-35.92
CC1=NC(COC2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=NO1	REAL300019630547	0	35	-1.0	-57.07	305.07	3.70	-53.37
CC1=NC(COC2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=NO1	REAL300019630547	1	35	-1.0	-57.14	304.93	3.70	-53.44
CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019630548	0	35	-1.0	-55.95	295.53	3.78	-52.17
CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019630548	1	35	-1.0	-56.40	295.07	3.80	-52.60
CN(C(=O)C1CC(=O)N(C)C1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019630549	0	37	-1.0	-45.56	312.58	6.67	-38.89
CN(C(=O)C1CC(=O)N(C)C1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019630549	1	37	-1.0	-45.65	312.44	6.68	-38.97
COC1=C(Br)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630550	0	24	-1.0	-42.22	244.17	3.88	-38.34
COC1=C(Br)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630550	1	24	-1.0	-42.29	244.02	3.88	-38.41
CN(C(=O)C1COC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL300019630551	0	28	-1.0	-49.14	261.08	5.44	-43.70
CN(C(=O)C1COC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL300019630551	1	28	-1.0	-49.23	260.95	5.47	-43.76
CN(C)S(=O)(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CO1	REAL300019630552	0	31	-1.0	-49.06	281.37	1.01	-48.05
CN(C)S(=O)(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CO1	REAL300019630552	1	31	-1.0	-49.18	281.22	1.02	-48.16
CN(C(=O)C1=CN=CC(I)=C1)C1=NN=N[N-]1	REAL300019630553	0	22	-1.0	-42.37	225.55	4.25	-38.12
CN(C(=O)C1=CN=CC(I)=C1)C1=N[N-]N=N1	REAL300019630553	1	22	-1.0	-42.71	225.76	4.15	-38.56
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N(C)C1=N[N-]N=N1)C2=O	REAL300019630554	0	44	-1.0	-53.53	340.67	5.54	-47.99
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N(C)C1=NN=N[N-]1)C2=O	REAL300019630554	1	44	-1.0	-53.56	340.53	5.57	-47.99
COC1=CC=C(COCCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019630555	0	40	-1.0	-52.85	336.30	6.13	-46.72
COC1=CC=C(COCCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019630555	1	40	-1.0	-52.98	336.17	6.17	-46.81
CN(C(=O)C1=CC(Br)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019630556	0	28	-1.0	-55.18	261.92	6.24	-48.94
CN(C(=O)C1=CC(Br)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019630556	1	28	-1.0	-55.14	262.06	6.24	-48.90
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019630557	0	41	-1.0	-49.41	337.51	9.46	-39.95
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019630557	1	41	-1.0	-49.41	337.38	9.48	-39.93
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630558	0	32	-1.0	-49.03	292.06	7.43	-41.60
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630558	1	32	-1.0	-48.98	292.19	7.43	-41.55
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630559	0	36	-1.0	-46.92	325.87	6.51	-40.41
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630559	1	36	-1.0	-47.02	325.73	6.52	-40.50
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300019630560	0	33	-1.0	-52.55	297.70	7.79	-44.76
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300019630560	1	33	-1.0	-52.46	297.86	7.79	-44.67
CN(C(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=NN=N[N-]1	REAL300019630561	0	29	-1.0	-49.21	279.99	5.90	-43.31
CN(C(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=N[N-]N=N1	REAL300019630561	1	29	-1.0	-49.12	280.14	5.87	-43.25
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N(C)C1=N[N-]N=N1	REAL300019630562	0	39	-1.0	-53.05	328.79	7.61	-45.44
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N(C)C1=NN=N[N-]1	REAL300019630562	1	39	-1.0	-53.13	328.65	7.65	-45.48
CC(SC1=NC2=CC=CC=C2S1)C(=O)N(C)C1=NN=N[N-]1	REAL300019630563	0	32	-1.0	-46.48	296.45	6.94	-39.54
CC(SC1=NC2=CC=CC=C2S1)C(=O)N(C)C1=N[N-]N=N1	REAL300019630563	1	32	-1.0	-46.42	296.58	6.90	-39.52
CC1=CC(F)=CC=C1N1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL300019630564	0	32	-1.0	-44.42	282.10	6.08	-38.34
CC1=CC(F)=CC=C1N1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL300019630564	1	32	-1.0	-44.32	282.25	6.06	-38.26
CN(C(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=NN=N[N-]1	REAL300019630565	0	30	-1.0	-49.95	283.25	8.81	-41.14
CN(C(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=N[N-]N=N1	REAL300019630565	1	30	-1.0	-49.87	283.40	8.80	-41.07
CN(C(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019630566	0	40	-1.0	-51.77	323.36	7.92	-43.85
CN(C(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019630566	1	40	-1.0	-51.85	323.24	7.92	-43.93
CN(C(=O)CC1=CNC2=CC=CC(Br)=C12)C1=N[N-]N=N1	REAL300019630567	0	30	-1.0	-52.29	277.73	6.45	-45.84
CN(C(=O)CC1=CNC2=CC=CC(Br)=C12)C1=NN=N[N-]1	REAL300019630567	1	30	-1.0	-52.39	277.59	6.49	-45.90
CN(C(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=NN=N[N-]1	REAL300019630568	0	32	-1.0	-46.23	285.80	6.21	-40.02
CN(C(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=N[N-]N=N1	REAL300019630568	1	32	-1.0	-46.14	285.94	6.19	-39.95
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1I	REAL300019630569	0	26	-1.0	-46.40	255.77	4.54	-41.86
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1I	REAL300019630569	1	26	-1.0	-46.36	255.91	4.52	-41.84
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019630570	0	46	-1.0	-43.68	364.42	6.31	-37.37
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019630570	1	46	-1.0	-43.77	364.28	6.33	-37.44
CN(C(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019630571	0	33	-1.0	-52.52	296.31	8.67	-43.85
CN(C(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019630571	1	33	-1.0	-52.43	296.45	8.67	-43.76
CCS(=O)(=O)C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019630572	0	38	-1.0	-52.70	333.42	5.20	-47.50
CCS(=O)(=O)C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019630572	1	38	-1.0	-52.80	333.29	5.23	-47.57
CCCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019630573	0	45	-1.0	-34.39	346.30	4.92	-29.47
CCCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019630573	1	45	-1.0	-34.44	346.17	4.94	-29.50
CN(C(=O)C1=CC=C(Br)C=C1N1C=NC=N1)C1=NN=N[N-]1	REAL300019630574	0	29	-1.0	-53.81	275.82	8.55	-45.26
CN(C(=O)C1=CC=C(Br)C=C1N1C=NC=N1)C1=N[N-]N=N1	REAL300019630574	1	29	-1.0	-53.70	275.97	8.54	-45.16
CN(C(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=N[N-]N=N1	REAL300019630575	0	35	-1.0	-52.94	327.84	8.70	-44.24
CN(C(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=NN=N[N-]1	REAL300019630575	1	35	-1.0	-52.99	327.71	8.69	-44.30
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1)C1=N[N-]N=N1	REAL300019630576	0	39	-1.0	-48.53	333.13	9.24	-39.29
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1)C1=NN=N[N-]1	REAL300019630576	1	39	-1.0	-48.57	333.00	9.25	-39.32
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C=C1	REAL300019630577	0	39	-1.0	-50.80	332.11	8.20	-42.60
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C=C1	REAL300019630577	1	39	-1.0	-50.83	331.97	8.22	-42.61
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C(C2=CC=CC=C2)S1	REAL300019630578	0	32	-1.0	-51.39	295.73	6.55	-44.84
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C(C2=CC=CC=C2)S1	REAL300019630578	1	32	-1.0	-51.27	295.88	6.54	-44.73
CN(C(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019630579	0	36	-1.0	-54.21	323.56	7.98	-46.23
CN(C(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019630579	1	36	-1.0	-54.09	323.71	7.99	-46.10
COC(=O)CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630580	0	38	-1.0	-47.56	347.65	8.27	-39.29
COC(=O)CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630580	1	38	-1.0	-47.64	347.52	8.28	-39.36
CN(C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019630581	0	37	-1.0	-51.93	313.75	6.92	-45.01
CN(C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019630581	1	37	-1.0	-52.03	313.42	6.92	-45.11
CC(C)CC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019630582	0	44	-1.0	-48.96	353.96	10.24	-38.72
CC(C)CC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019630582	1	44	-1.0	-49.01	353.83	10.28	-38.73
COC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C(OC)=C1	REAL300019630583	0	40	-1.0	-52.15	330.56	6.22	-45.93
COC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C(OC)=C1	REAL300019630583	1	40	-1.0	-52.22	330.42	6.25	-45.97
CN(C(=O)C1=CC(I)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019630584	0	25	-1.0	-43.11	259.11	6.69	-36.42
CN(C(=O)C1=CC(I)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019630584	1	25	-1.0	-43.14	258.97	6.68	-36.46
CN(C(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019630585	0	26	-1.0	-42.55	263.14	6.53	-36.02
CN(C(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019630585	1	26	-1.0	-42.56	263.00	6.51	-36.05
CCC1=CSC(N2C=C(C(=O)N(C)C3=NN=N[N-]3)C=N2)=N1	REAL300019630586	0	32	-1.0	-49.44	290.68	5.66	-43.78
CCC1=CSC(N2C=C(C(=O)N(C)C3=N[N-]N=N3)C=N2)=N1	REAL300019630586	1	32	-1.0	-49.34	290.82	5.63	-43.71
CC1=CC=C(C2=NC(C(=O)N(C)C3=NN=N[N-]3)=CS2)N1C	REAL300019630587	0	33	-1.0	-50.18	291.30	6.38	-43.80
CC1=CC=C(C2=NC(C(=O)N(C)C3=N[N-]N=N3)=CS2)N1C	REAL300019630587	1	33	-1.0	-50.16	291.45	6.37	-43.79
CN(C(=O)CCC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300019630588	0	29	-1.0	-46.47	278.01	7.43	-39.04
CN(C(=O)CCC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300019630588	1	29	-1.0	-46.52	277.88	7.46	-39.06
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019630589	0	33	-1.0	-50.19	316.52	8.38	-41.81
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019630589	1	33	-1.0	-50.29	316.39	8.38	-41.91
CN(C(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300019630590	0	34	-1.0	-49.96	291.84	6.52	-43.44
CN(C(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300019630590	1	34	-1.0	-50.08	291.69	6.52	-43.56
CN(C(=O)C1=CC2=CC=CC=C2C=C1OC(F)F)C1=NN=N[N-]1	REAL300019630591	0	33	-1.0	-50.73	289.05	7.41	-43.32
CN(C(=O)C1=CC2=CC=CC=C2C=C1OC(F)F)C1=N[N-]N=N1	REAL300019630591	1	33	-1.0	-50.64	289.19	7.40	-43.24
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL300019630592	0	35	-1.0	-50.89	311.15	5.98	-44.91
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL300019630592	1	35	-1.0	-50.94	311.02	6.01	-44.93
CCS(=O)(=O)C1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630593	0	35	-1.0	-59.51	312.03	4.37	-55.14
CCS(=O)(=O)C1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630593	1	35	-1.0	-59.56	311.89	4.41	-55.15
CC1=CC(C)=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630594	0	29	-1.0	-48.63	257.71	6.73	-41.90
CC1=CC(C)=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630594	1	29	-1.0	-48.73	257.57	6.73	-42.00
COCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300019630595	0	37	-1.0	-49.29	310.00	5.71	-43.58
COCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300019630595	1	37	-1.0	-49.16	310.25	5.70	-43.46
CN(C(=O)C1=C(C(F)(F)F)C=CN=C1Cl)C1=NN=N[N-]1	REAL300019630596	0	25	-1.0	-49.61	252.20	4.56	-45.05
CN(C(=O)C1=C(C(F)(F)F)C=CN=C1Cl)C1=N[N-]N=N1	REAL300019630596	1	25	-1.0	-49.51	252.34	4.55	-44.96
CN(C(=O)C1=CC(Br)=NC=C1F)C1=NN=N[N-]1	REAL300019630597	0	22	-1.0	-43.94	226.16	3.76	-40.18
CN(C(=O)C1=CC(Br)=NC=C1F)C1=N[N-]N=N1	REAL300019630597	1	22	-1.0	-43.83	226.30	3.76	-40.07
CN(C(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300019630598	0	34	-1.0	-42.73	282.53	7.28	-35.45
CN(C(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300019630598	1	34	-1.0	-42.77	282.39	7.28	-35.49
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019630599	0	37	-1.0	-32.88	305.48	8.55	-24.33
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019630599	1	37	-1.0	-32.92	305.33	8.56	-24.36
CN(C(=O)CN(CCNC(=O)OC(C)(C)C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630600	0	54	-1.0	-52.68	418.82	5.08	-47.60
CN(C(=O)CN(CCNC(=O)OC(C)(C)C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630600	1	54	-1.0	-52.78	418.69	5.11	-47.67
CN(C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NN=N[N-]1	REAL300019630601	0	30	-1.0	-46.34	273.35	6.82	-39.52
CN(C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=N[N-]N=N1	REAL300019630601	1	30	-1.0	-46.29	273.49	6.80	-39.49
CN(C(=O)C1=C(F)C=CC=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630602	0	34	-1.0	-54.65	314.85	9.18	-45.47
CN(C(=O)C1=C(F)C=CC=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630602	1	34	-1.0	-54.57	314.99	9.16	-45.41
CN(C(=O)C1=CC=CC(SC2=CC=C(Cl)C=C2)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019630603	0	36	-1.0	-59.30	348.58	10.50	-48.80
CN(C(=O)C1=CC=CC(SC2=CC=C(Cl)C=C2)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019630603	1	36	-1.0	-59.41	348.45	10.53	-48.88
CN(C(=O)C1=CC=C([N+](=O)[O-])C(SC2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019630604	0	36	-1.0	-44.46	343.48	10.05	-34.41
CN(C(=O)C1=CC=C([N+](=O)[O-])C(SC2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019630604	1	36	-1.0	-44.57	343.34	10.06	-34.51
CN(C(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300019630605	0	33	-1.0	-46.73	289.95	4.95	-41.78
CN(C(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300019630605	1	33	-1.0	-46.69	290.08	4.93	-41.76
CN(C(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019630606	0	42	-1.0	-48.41	346.02	3.52	-44.89
CN(C(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019630606	1	42	-1.0	-48.50	345.88	3.53	-44.97
CN(C(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019630607	0	33	-1.0	-49.92	299.14	6.37	-43.55
CN(C(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019630607	1	33	-1.0	-49.97	299.00	6.38	-43.59
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630608	0	37	-1.0	-47.82	325.17	7.05	-40.77
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630608	1	37	-1.0	-47.77	325.31	7.02	-40.75
CN(C(=O)C1=C(Cl)C=CC=C1I)C1=N[N-]N=N1	REAL300019630609	0	23	-1.0	-48.27	251.14	6.53	-41.74
CN(C(=O)C1=C(Cl)C=CC=C1I)C1=NN=N[N-]1	REAL300019630609	1	23	-1.0	-48.32	251.00	6.52	-41.80
CN(C(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019630610	0	35	-1.0	-49.77	311.49	8.56	-41.21
CN(C(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019630610	1	35	-1.0	-49.86	311.35	8.59	-41.27
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1)C1=N[N-]N=N1	REAL300019630611	0	42	-1.0	-49.11	357.74	10.12	-38.99
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1)C1=NN=N[N-]1	REAL300019630611	1	42	-1.0	-49.17	357.61	10.13	-39.04
CN(C(=O)C1=CC(Cl)=CC=C1SC1CCCC1)C1=N[N-]N=N1	REAL300019630612	0	37	-1.0	-49.37	321.68	9.09	-40.28
CN(C(=O)C1=CC(Cl)=CC=C1SC1CCCC1)C1=NN=N[N-]1	REAL300019630612	1	37	-1.0	-49.46	321.56	9.10	-40.36
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL300019630613	0	30	-1.0	-46.97	287.87	7.77	-39.20
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL300019630613	1	30	-1.0	-47.03	287.72	7.76	-39.27
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019630614	0	33	-1.0	-56.87	282.30	7.64	-49.23
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019630614	1	33	-1.0	-56.88	282.44	7.63	-49.25
CN(C(=O)C1=CC=C(Cl)C=C1SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019630615	0	34	-1.0	-45.87	332.11	10.01	-35.86
CN(C(=O)C1=CC=C(Cl)C=C1SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019630615	1	34	-1.0	-46.00	331.96	10.02	-35.98
COC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)C=C1OC	REAL300019630616	0	41	-1.0	-50.39	321.95	6.32	-44.07
COC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)C=C1OC	REAL300019630616	1	41	-1.0	-50.47	321.82	6.34	-44.13
CCCCSC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019630617	0	36	-1.0	-48.86	323.75	8.86	-40.00
CCCCSC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019630617	1	36	-1.0	-48.91	323.61	8.86	-40.05
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1SC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019630618	0	37	-1.0	-48.34	348.45	10.05	-38.29
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1SC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019630618	1	37	-1.0	-48.44	348.34	10.06	-38.38
CCC(CC)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(OC)C(OC)=C1	REAL300019630619	0	46	-1.0	-33.65	335.04	6.41	-27.24
CCC(CC)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(OC)C(OC)=C1	REAL300019630619	1	46	-1.0	-33.72	334.90	6.43	-27.29
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300019630620	0	37	-1.0	-49.64	336.64	10.18	-39.46
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300019630620	1	37	-1.0	-49.55	336.78	10.17	-39.38
CN(C(=O)C1=NC=C(Br)C=C1Br)C1=NN=N[N-]1	REAL300019630621	0	22	-1.0	-43.64	236.85	5.44	-38.20
CN(C(=O)C1=NC=C(Br)C=C1Br)C1=N[N-]N=N1	REAL300019630621	1	22	-1.0	-43.55	236.99	5.43	-38.12
CN(C(=O)C1=C(F)C=CC=C1SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019630622	0	34	-1.0	-51.42	329.97	9.66	-41.76
CN(C(=O)C1=C(F)C=CC=C1SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019630622	1	34	-1.0	-51.39	330.13	9.65	-41.74
CN(C(=O)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019630623	0	34	-1.0	-45.28	321.98	9.55	-35.73
CN(C(=O)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019630623	1	34	-1.0	-45.26	322.13	9.54	-35.72
CN(C(=O)C1=CC(Cl)=CC=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630624	0	34	-1.0	-47.87	315.68	9.32	-38.55
CN(C(=O)C1=CC(Cl)=CC=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630624	1	34	-1.0	-47.78	315.79	9.30	-38.48
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630625	0	37	-1.0	-48.18	336.98	10.15	-38.03
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019630625	1	37	-1.0	-48.13	337.12	10.13	-38.00
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019630626	0	32	-1.0	-44.46	313.71	6.53	-37.93
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019630626	1	32	-1.0	-44.39	313.85	6.52	-37.87
CN(C(=O)C1=CC=CC(F)=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019630627	0	34	-1.0	-53.15	307.75	9.05	-44.10
CN(C(=O)C1=CC=CC(F)=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019630627	1	34	-1.0	-53.05	307.89	9.04	-44.01
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019630628	0	38	-1.0	-57.08	329.67	5.01	-52.07
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019630628	1	38	-1.0	-57.11	329.54	5.03	-52.08
O=C(NC1=NN=N[N-]1)C1=CC=CN=C1SCC1CCCCC1	REAL300019634202	0	39	-1.0	-47.30	324.19	7.41	-39.89
O=C(NC1=N[N-]N=N1)C1=CC=CN=C1SCC1CCCCC1	REAL300019634202	1	39	-1.0	-47.26	324.29	7.41	-39.85
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019634203	0	35	-1.0	-54.63	318.91	7.50	-47.13
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019634203	1	35	-1.0	-54.57	319.00	7.49	-47.08
CC(OC1=CC=CC(Br)=C1)C(=O)NC1=N[N-]N=N1	REAL300019634204	0	27	-1.0	-44.91	259.00	5.56	-39.35
CC(OC1=CC=CC(Br)=C1)C(=O)NC1=NN=N[N-]1	REAL300019634204	1	27	-1.0	-45.01	258.90	5.58	-39.43
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)NC1=N[N-]N=N1	REAL300019634205	0	34	-1.0	-47.65	294.75	5.69	-41.96
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)NC1=NN=N[N-]1	REAL300019634205	1	34	-1.0	-47.71	294.66	5.70	-42.01
CCC1=NC(COC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=NO1	REAL300019634206	0	35	-1.0	-48.67	311.64	3.38	-45.29
CCC1=NC(COC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=NO1	REAL300019634206	1	35	-1.0	-48.62	311.74	3.38	-45.24
O=C(NC1=NN=N[N-]1)C1=CC=C(SC2=CC=CC=C2Cl)N=N1	REAL300019634207	0	29	-1.0	-44.82	297.19	5.60	-39.22
O=C(NC1=N[N-]N=N1)C1=CC=C(SC2=CC=CC=C2Cl)N=N1	REAL300019634207	1	29	-1.0	-44.77	297.31	5.59	-39.18
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC(Cl)=C2)CCCC1	REAL300019634208	0	36	-1.0	-52.27	305.56	7.86	-44.41
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC(Cl)=C2)CCCC1	REAL300019634208	1	36	-1.0	-52.36	305.47	7.88	-44.48
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)NC1=N[N-]N=N1	REAL300019634209	0	39	-1.0	-47.50	325.20	9.21	-38.29
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)NC1=NN=N[N-]1	REAL300019634209	1	39	-1.0	-47.57	325.11	9.22	-38.35
O=C(NC1=N[N-]N=N1)C1CCCN(C(=O)N2CCC3=C(C=CS3)C2)C1	REAL300019634210	0	43	-1.0	-49.37	347.57	6.41	-42.96
O=C(NC1=NN=N[N-]1)C1CCCN(C(=O)N2CCC3=C(C=CS3)C2)C1	REAL300019634210	1	43	-1.0	-49.42	347.47	6.42	-43.00
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1Br	REAL300019634211	0	27	-1.0	-46.06	274.37	5.65	-40.41
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C=C1Br	REAL300019634211	1	27	-1.0	-46.01	274.47	5.65	-40.36
CC(C)(SC1=CC=C(Br)C=C1)C(=O)NC1=N[N-]N=N1	REAL300019634212	0	30	-1.0	-43.06	288.33	6.80	-36.26
CC(C)(SC1=CC=C(Br)C=C1)C(=O)NC1=NN=N[N-]1	REAL300019634212	1	30	-1.0	-43.08	288.23	6.81	-36.27
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl	REAL300019634213	0	32	-1.0	-60.81	296.28	2.83	-57.98
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl	REAL300019634213	1	32	-1.0	-60.75	296.38	2.83	-57.92
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL300019634214	0	37	-1.0	-46.03	321.99	4.57	-41.46
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL300019634214	1	37	-1.0	-46.08	321.90	4.58	-41.50
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300019634215	0	30	-1.0	-51.36	287.50	5.97	-45.39
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300019634215	1	30	-1.0	-51.31	287.60	5.96	-45.35
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC(Br)=C2)C2=C1CCC2	REAL300019634216	0	34	-1.0	-51.35	317.28	7.41	-43.94
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC(Br)=C2)C2=C1CCC2	REAL300019634216	1	34	-1.0	-51.42	317.18	7.41	-44.01
O=C(CCSC1=CC=C2OCCOC2=C1)NC1=N[N-]N=N1	REAL300019634217	0	33	-1.0	-45.73	296.84	4.88	-40.85
O=C(CCSC1=CC=C2OCCOC2=C1)NC1=NN=N[N-]1	REAL300019634217	1	33	-1.0	-45.85	296.74	4.90	-40.95
CC1=CC(C(=O)NC2=NN=N[N-]2)=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019634218	0	34	-1.0	-40.52	294.17	4.13	-36.39
CC1=CC(C(=O)NC2=N[N-]N=N2)=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019634218	1	34	-1.0	-40.50	294.27	4.12	-36.38
O=C(NC1=NN=N[N-]1)C1=NN(C2=C(Cl)C=C([N+](=O)[O-])C=C2Cl)C=C1	REAL300019634219	0	29	-1.0	-44.30	307.09	6.70	-37.60
O=C(NC1=N[N-]N=N1)C1=NN(C2=C(Cl)C=C([N+](=O)[O-])C=C2Cl)C=C1	REAL300019634219	1	29	-1.0	-44.27	307.17	6.69	-37.58
COC1=CC=C(SCCC(=O)NC2=N[N-]N=N2)C=C1OC	REAL300019634220	0	35	-1.0	-45.66	311.03	4.93	-40.73
COC1=CC=C(SCCC(=O)NC2=NN=N[N-]2)C=C1OC	REAL300019634220	1	35	-1.0	-45.75	310.94	4.95	-40.80
COC1=CC=C(S(=O)(=O)CCC(=O)NC2=N[N-]N=N2)C=C1OC	REAL300019634221	0	37	-1.0	-50.73	331.53	1.51	-49.22
COC1=CC=C(S(=O)(=O)CCC(=O)NC2=NN=N[N-]2)C=C1OC	REAL300019634221	1	37	-1.0	-50.73	331.44	1.52	-49.21
O=C(NC1=NN=N[N-]1)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1	REAL300019634222	0	28	-1.0	-53.38	273.78	5.99	-47.39
O=C(NC1=N[N-]N=N1)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1	REAL300019634222	1	28	-1.0	-53.29	273.87	5.98	-47.31
CN1C(=O)N(C)C2=CC(C(=O)NC3=NN=N[N-]3)=C(Br)C=C21	REAL300019634223	0	30	-1.0	-45.35	283.80	5.36	-39.99
CN1C(=O)N(C)C2=CC(C(=O)NC3=N[N-]N=N3)=C(Br)C=C21	REAL300019634223	1	30	-1.0	-45.28	283.90	5.35	-39.93
O=C(NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300019634224	0	22	-1.0	-40.97	231.85	5.10	-35.87
O=C(NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300019634224	1	22	-1.0	-40.89	231.95	5.08	-35.81
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1	REAL300019634225	0	29	-1.0	-45.23	283.80	4.52	-40.71
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1	REAL300019634225	1	29	-1.0	-45.18	283.91	4.51	-40.67
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1OCC1=CN(C)N=C1	REAL300019634226	0	38	-1.0	-50.88	330.60	4.78	-46.10
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1OCC1=CN(C)N=C1	REAL300019634226	1	38	-1.0	-50.79	330.70	4.77	-46.02
O=C(NC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C(Cl)=C1	REAL300019634227	0	36	-1.0	-58.04	345.62	6.07	-51.97
O=C(NC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C(Cl)=C1	REAL300019634227	1	36	-1.0	-57.98	345.72	6.04	-51.94
O=C(NC1=N[N-]N=N1)C1=CSC(CC2=CC=CC=C2F)=N1	REAL300019634228	0	29	-1.0	-44.47	283.54	5.33	-39.14
O=C(NC1=NN=N[N-]1)C1=CSC(CC2=CC=CC=C2F)=N1	REAL300019634228	1	29	-1.0	-44.59	283.44	5.34	-39.25
COC1=CC=CC(CC2(C(=O)NC3=N[N-]N=N3)CC3CCC2C3)=C1	REAL300019634229	0	44	-1.0	-51.12	335.63	7.48	-43.64
COC1=CC=CC(CC2(C(=O)NC3=NN=N[N-]3)CC3CCC2C3)=C1	REAL300019634229	1	44	-1.0	-51.19	335.53	7.49	-43.70
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=NN=N[N-]1	REAL300019634230	0	31	-1.0	-48.09	288.17	6.81	-41.28
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=N[N-]N=N1	REAL300019634230	1	31	-1.0	-47.97	288.26	6.80	-41.17
CC(C)C1=NC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC(F)=C1	REAL300019634231	0	35	-1.0	-51.77	310.90	6.36	-45.41
CC(C)C1=NC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC(F)=C1	REAL300019634231	1	35	-1.0	-51.81	310.79	6.36	-45.45
CN(CC(=O)NC1=N[N-]N=N1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019634232	0	33	-1.0	-44.69	313.93	2.89	-41.80
CN(CC(=O)NC1=NN=N[N-]1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019634232	1	33	-1.0	-44.75	313.84	2.90	-41.85
CCCC1=C(C(=O)NC2=N[N-]N=N2)N=NN1CC1=CC=CC(Br)=C1	REAL300019634233	0	38	-1.0	-45.50	346.74	6.47	-39.03
CCCC1=C(C(=O)NC2=NN=N[N-]2)N=NN1CC1=CC=CC(Br)=C1	REAL300019634233	1	38	-1.0	-45.57	346.64	6.48	-39.09
O=C(CCSC1=CC=C2OCCCOC2=C1)NC1=N[N-]N=N1	REAL300019634234	0	36	-1.0	-45.38	315.16	5.67	-39.71
O=C(CCSC1=CC=C2OCCCOC2=C1)NC1=NN=N[N-]1	REAL300019634234	1	36	-1.0	-45.47	315.06	5.69	-39.78
COCCC(CC1=CC=CC(Br)=C1)C(=O)NC1=N[N-]N=N1	REAL300019634235	0	36	-1.0	-43.60	324.80	6.00	-37.60
COCCC(CC1=CC=CC(Br)=C1)C(=O)NC1=NN=N[N-]1	REAL300019634235	1	36	-1.0	-43.66	324.70	6.01	-37.65
O=C(NC1=NN=N[N-]1)C1=CSC(C2=CC=C(Br)S2)=N1	REAL300019634236	0	23	-1.0	-45.52	267.95	4.38	-41.14
O=C(NC1=N[N-]N=N1)C1=CSC(C2=CC=C(Br)S2)=N1	REAL300019634236	1	23	-1.0	-45.40	268.06	4.37	-41.03
COCCS(=O)(=O)C1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL300019634237	0	33	-1.0	-49.70	331.56	1.89	-47.81
COCCS(=O)(=O)C1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL300019634237	1	33	-1.0	-49.65	331.66	1.89	-47.76
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC(C)=C1OCC(=O)N1CCCCC1	REAL300019634238	0	47	-1.0	-49.39	378.24	8.16	-41.23
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC(C)=C1OCC(=O)N1CCCCC1	REAL300019634238	1	47	-1.0	-49.35	378.36	8.15	-41.20
CC(C)(C)OC(=O)NCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019634239	0	43	-1.0	-49.24	355.74	4.80	-44.44
CC(C)(C)OC(=O)NCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019634239	1	43	-1.0	-49.26	355.65	4.81	-44.45
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)NC1=N[N-]N=N1	REAL300019634240	0	29	-1.0	-51.33	286.03	2.40	-48.93
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)NC1=NN=N[N-]1	REAL300019634240	1	29	-1.0	-51.44	285.94	2.42	-49.02
CCCC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300019634241	0	44	-1.0	-44.37	363.06	7.36	-37.01
CCCC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300019634241	1	44	-1.0	-44.49	362.96	7.38	-37.11
O=C(CCS(=O)(=O)C1=CC=C2OCCCOC2=C1)NC1=N[N-]N=N1	REAL300019634242	0	38	-1.0	-50.11	335.63	2.25	-47.86
O=C(CCS(=O)(=O)C1=CC=C2OCCCOC2=C1)NC1=NN=N[N-]1	REAL300019634242	1	38	-1.0	-50.17	335.53	2.27	-47.90
CC(C)CNC(=O)N1CCCC(CC(=O)NC2=N[N-]N=N2)C1	REAL300019634243	0	44	-1.0	-60.64	343.47	4.82	-55.82
CC(C)CNC(=O)N1CCCC(CC(=O)NC2=NN=N[N-]2)C1	REAL300019634243	1	44	-1.0	-60.68	343.38	4.83	-55.85
CC1=NOC2=NC(C3=CC=CC(C(F)(F)F)=C3)=CC(C(=O)NC3=NN=N[N-]3)=C12	REAL300019634244	0	37	-1.0	-41.34	337.81	5.45	-35.89
CC1=NOC2=NC(C3=CC=CC(C(F)(F)F)=C3)=CC(C(=O)NC3=N[N-]N=N3)=C12	REAL300019634244	1	37	-1.0	-41.21	337.90	5.44	-35.77
COC1=CC=C2C(=C1)C(C(=O)NC1=NN=N[N-]1)=C(C)N2CC1=CC=CC=C1	REAL300019634245	0	44	-1.0	-55.24	372.93	9.01	-46.23
COC1=CC=C2C(=C1)C(C(=O)NC1=N[N-]N=N1)=C(C)N2CC1=CC=CC=C1	REAL300019634245	1	44	-1.0	-55.19	373.03	8.99	-46.20
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL300019634246	0	41	-1.0	-52.99	338.14	6.50	-46.49
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL300019634246	1	41	-1.0	-53.08	338.05	6.51	-46.57
CC(C)(C)OC(=O)N1CCN(CC(=O)NC2=N[N-]N=N2)C(=O)C1	REAL300019634247	0	41	-1.0	-48.90	335.75	3.47	-45.43
CC(C)(C)OC(=O)N1CCN(CC(=O)NC2=NN=N[N-]2)C(=O)C1	REAL300019634247	1	41	-1.0	-48.98	335.66	3.48	-45.50
CC1=CC=CC(CN2CCCCC2C(=O)NC2=N[N-]N=N2)=C1	REAL300019634248	0	41	-1.0	-47.65	326.14	5.97	-41.68
CC1=CC=CC(CN2CCCCC2C(=O)NC2=NN=N[N-]2)=C1	REAL300019634248	1	41	-1.0	-47.64	326.04	5.98	-41.66
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NC2=NN=N[N-]2)=C1	REAL300019634248	1	42	0.0	-51.72	327.67	8.05	-43.67
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NC2=NN=N[N-]2)=C1	REAL300019634248	1	42	0.0	-53.28	318.26	7.87	-45.41
COC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019634249	0	44	-1.0	-44.57	358.40	4.79	-39.78
COC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019634249	1	44	-1.0	-44.58	358.30	4.81	-39.77
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)NC3=NN=N[N-]3)C=N2)C=C1	REAL300019634250	0	42	-1.0	-42.90	350.33	6.47	-36.43
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)NC3=N[N-]N=N3)C=N2)C=C1	REAL300019634250	1	42	-1.0	-42.81	350.43	6.47	-36.34
CCCC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300019634251	0	47	-1.0	-43.36	379.28	7.76	-35.60
CCCC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300019634251	1	47	-1.0	-43.45	379.17	7.78	-35.67
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)NC1=N[N-]N=N1	REAL300019634252	0	35	-1.0	-71.09	319.55	4.43	-66.66
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)NC1=NN=N[N-]1	REAL300019634252	1	35	-1.0	-71.15	319.45	4.45	-66.70
CC(=O)NC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300019634253	0	33	-1.0	-42.01	293.24	3.67	-38.34
CC(=O)NC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300019634253	1	33	-1.0	-42.07	293.15	3.68	-38.39
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1NC(=O)NC1=CC=CC=C1	REAL300019634254	0	39	-1.0	-60.61	331.22	5.91	-54.70
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1NC(=O)NC1=CC=CC=C1	REAL300019634254	1	39	-1.0	-60.56	331.32	5.88	-54.68
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1	REAL300019634255	0	31	-1.0	-43.64	308.22	7.69	-35.95
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1	REAL300019634255	1	31	-1.0	-43.57	308.32	7.69	-35.88
O=C(NC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1	REAL300019634256	0	36	-1.0	-50.47	329.44	5.28	-45.19
O=C(NC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1	REAL300019634256	1	36	-1.0	-50.39	329.54	5.26	-45.13
CCC1=C(C(=O)NC2=N[N-]N=N2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300019634257	0	42	-1.0	-43.71	350.72	5.52	-38.19
CCC1=C(C(=O)NC2=NN=N[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300019634257	1	42	-1.0	-43.77	350.61	5.52	-38.25
O=C(NC1=NN=N[N-]1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300019634258	0	33	-1.0	-57.12	289.13	2.96	-54.16
O=C(NC1=N[N-]N=N1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300019634258	1	33	-1.0	-57.04	289.22	2.94	-54.10
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1	REAL300019634259	0	30	-1.0	-44.69	305.41	5.04	-39.65
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1	REAL300019634259	1	30	-1.0	-44.60	305.50	5.04	-39.56
O=C(NC1=NN=N[N-]1)C1=CC(OCC(F)(F)F)=CC=C1OCC(F)(F)F	REAL300019634260	0	34	-1.0	-56.52	327.03	6.37	-50.15
O=C(NC1=N[N-]N=N1)C1=CC(OCC(F)(F)F)=CC=C1OCC(F)(F)F	REAL300019634260	1	34	-1.0	-56.43	327.13	6.36	-50.07
CC(C)(C)C(=O)NCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019634261	0	39	-1.0	-47.45	328.33	4.87	-42.58
CC(C)(C)C(=O)NCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019634261	1	39	-1.0	-47.39	328.43	4.85	-42.54
O=C(NC1=NN=N[N-]1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300019634262	0	37	-1.0	-56.23	300.73	7.73	-48.50
O=C(NC1=N[N-]N=N1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300019634262	1	37	-1.0	-56.17	300.82	7.71	-48.46
O=C(NC1=NN=N[N-]1)C1=CC=CC(CSC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300019634263	0	34	-1.0	-46.24	342.47	9.72	-36.52
O=C(NC1=N[N-]N=N1)C1=CC=CC(CSC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300019634263	1	34	-1.0	-46.17	342.56	9.70	-36.47
O=C(NC1=NN=N[N-]1)C1=CC=CC(SC2=CC=CC(Br)=C2)=N1	REAL300019634264	0	30	-1.0	-45.40	309.25	6.96	-38.44
O=C(NC1=N[N-]N=N1)C1=CC=CC(SC2=CC=CC(Br)=C2)=N1	REAL300019634264	1	30	-1.0	-45.33	309.35	6.95	-38.38
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL300019634265	0	42	-1.0	-50.77	352.25	3.74	-47.03
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL300019634265	1	42	-1.0	-50.72	352.35	3.74	-46.98
O=C(NC1=NN=N[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1C(F)(F)F	REAL300019634266	0	33	-1.0	-43.64	322.13	6.25	-37.39
O=C(NC1=N[N-]N=N1)C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1C(F)(F)F	REAL300019634266	1	33	-1.0	-43.54	322.24	6.24	-37.30
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300019634267	0	25	-1.0	-50.75	253.06	6.12	-44.63
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300019634267	1	25	-1.0	-50.71	253.23	6.11	-44.60
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)NC1=N[N-]N=N1	REAL300019634268	0	31	-1.0	-51.18	279.89	4.09	-47.09
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)NC1=NN=N[N-]1	REAL300019634268	1	31	-1.0	-51.25	279.80	4.10	-47.15
CC1=CC(Br)=CC=C1C(=O)N1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL300019634269	0	40	-1.0	-45.97	345.72	6.83	-39.14
CC1=CC(Br)=CC=C1C(=O)N1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL300019634269	1	40	-1.0	-46.01	345.63	6.85	-39.16
CC(C(=O)NC1=N[N-]N=N1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300019634270	0	35	-1.0	-49.12	280.53	2.86	-46.26
CC(C(=O)NC1=NN=N[N-]1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300019634270	1	35	-1.0	-49.16	280.44	2.88	-46.28
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)NC1=N[N-]N=N1	REAL300019634271	0	35	-1.0	-51.34	297.00	2.21	-49.13
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)NC1=NN=N[N-]1	REAL300019634271	1	35	-1.0	-51.44	296.91	2.22	-49.22
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300019634272	0	30	-1.0	-46.18	280.47	7.41	-38.77
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300019634272	1	30	-1.0	-46.16	280.57	7.40	-38.76
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL300019634273	0	37	-1.0	-62.91	307.67	6.64	-56.27
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL300019634273	1	37	-1.0	-62.96	307.59	6.65	-56.31
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(NC(C)=O)=C1OC	REAL300019634274	0	35	-1.0	-52.94	305.39	2.16	-50.78
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(NC(C)=O)=C1OC	REAL300019634274	1	35	-1.0	-52.90	305.48	2.14	-50.76
CN(CCCC(=O)NC1=N[N-]N=N1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300019634275	0	38	-1.0	-65.74	332.80	3.13	-62.61
CN(CCCC(=O)NC1=NN=N[N-]1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300019634275	1	38	-1.0	-65.85	332.70	3.15	-62.70
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1	REAL300019634276	0	39	-1.0	-51.02	318.81	8.04	-42.98
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1	REAL300019634276	1	39	-1.0	-51.13	318.72	8.06	-43.07
O=C(CC1=CC=C(S(=O)(=O)N2CCOCC2)S1)NC1=N[N-]N=N1	REAL300019634277	0	36	-1.0	-51.63	332.26	1.22	-50.41
O=C(CC1=CC=C(S(=O)(=O)N2CCOCC2)S1)NC1=NN=N[N-]1	REAL300019634277	1	36	-1.0	-51.72	332.16	1.24	-50.48
CCCC1=NC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300019634278	0	35	-1.0	-54.65	312.71	6.81	-47.84
CCCC1=NC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300019634278	1	35	-1.0	-54.71	312.61	6.82	-47.89
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1	REAL300019634279	0	29	-1.0	-44.56	303.01	3.75	-40.81
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1	REAL300019634279	1	29	-1.0	-44.47	303.11	3.74	-40.73
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)O2)C=C1	REAL300019634280	0	39	-1.0	-43.75	327.20	7.89	-35.86
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)O2)C=C1	REAL300019634280	1	39	-1.0	-43.70	327.30	7.88	-35.82
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1	REAL300019634281	0	31	-1.0	-44.19	309.55	7.72	-36.47
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1	REAL300019634281	1	31	-1.0	-44.13	309.65	7.72	-36.41
O=C(NC1=N[N-]N=N1)C1CCCN(C(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300019634282	0	37	-1.0	-48.04	330.60	6.21	-41.83
O=C(NC1=NN=N[N-]1)C1CCCN(C(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300019634282	1	37	-1.0	-48.13	330.50	6.23	-41.90
CC1=CC=C(CN2C(=O)CCC2C(=O)NC2=N[N-]N=N2)C=C1	REAL300019634283	0	37	-1.0	-49.09	318.87	6.61	-42.48
CC1=CC=C(CN2C(=O)CCC2C(=O)NC2=NN=N[N-]2)C=C1	REAL300019634283	1	37	-1.0	-49.15	318.77	6.63	-42.52
CCS(=O)(=O)C1=CC=C(SC2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL300019634284	0	40	-1.0	-52.89	365.64	6.35	-46.54
CCS(=O)(=O)C1=CC=C(SC2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL300019634284	1	40	-1.0	-52.81	365.74	6.32	-46.49
O=C(NC1=NN=N[N-]1)C1=C(C2=CC=C3OCCOC3=C2)OC=N1	REAL300019634285	0	32	-1.0	-51.68	287.37	1.37	-50.31
O=C(NC1=N[N-]N=N1)C1=C(C2=CC=C3OCCOC3=C2)OC=N1	REAL300019634285	1	32	-1.0	-51.61	287.47	1.35	-50.26
CC(C)(C)OC(=O)N(CC(=O)NC1=N[N-]N=N1)CC1CCCO1	REAL300019634286	0	44	-1.0	-49.16	354.31	4.93	-44.23
CC(C)(C)OC(=O)N(CC(=O)NC1=NN=N[N-]1)CC1CCCO1	REAL300019634286	1	44	-1.0	-49.21	354.22	4.94	-44.27
O=C(NC1=N[N-]N=N1)C(C1=CC=CC(F)=C1)N1CCOCC1	REAL300019634287	0	36	-1.0	-42.54	302.65	3.19	-39.35
O=C(NC1=NN=N[N-]1)C(C1=CC=CC(F)=C1)N1CCOCC1	REAL300019634287	1	36	-1.0	-42.60	302.56	3.20	-39.40
CC(C)(C)OC(=O)NC(CC(=O)NC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019634288	0	46	-1.0	-51.14	362.90	5.66	-45.48
CC(C)(C)OC(=O)NC(CC(=O)NC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019634288	1	46	-1.0	-51.20	362.80	5.67	-45.53
O=C(C=CC1=CC(Br)=C2OCCOC2=C1)NC1=N[N-]N=N1	REAL300019634289	0	30	-1.0	-46.22	286.83	4.81	-41.41
O=C(C=CC1=CC(Br)=C2OCCOC2=C1)NC1=NN=N[N-]1	REAL300019634289	1	30	-1.0	-46.30	286.73	4.81	-41.49
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1OCC1=CSC(Br)=C1	REAL300019634290	0	34	-1.0	-44.71	330.36	7.50	-37.21
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1OCC1=CSC(Br)=C1	REAL300019634290	1	34	-1.0	-44.63	330.46	7.48	-37.15
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1NC(=O)CC(C)C	REAL300019634291	0	39	-1.0	-49.58	319.66	5.73	-43.85
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1NC(=O)CC(C)C	REAL300019634291	1	39	-1.0	-49.52	319.75	5.73	-43.79
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC(OC)=C1OC(F)F	REAL300019634292	0	32	-1.0	-45.05	288.92	3.36	-41.69
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC(OC)=C1OC(F)F	REAL300019634292	1	32	-1.0	-44.97	289.00	3.35	-41.62
O=C(NC1=N[N-]N=N1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300019634293	0	37	-1.0	-51.24	304.77	5.62	-45.62
O=C(NC1=NN=N[N-]1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300019634293	1	37	-1.0	-51.34	304.68	5.64	-45.70
CC(C)CC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL300019634294	0	36	-1.0	-45.99	307.79	4.99	-41.00
CC(C)CC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL300019634294	1	36	-1.0	-45.90	307.89	4.99	-40.91
CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)NC1=N[N-]N=N1	REAL300019634295	0	37	-1.0	-53.95	338.27	5.49	-48.46
CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)NC1=NN=N[N-]1	REAL300019634295	1	37	-1.0	-54.02	338.18	5.50	-48.52
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019634296	0	36	-1.0	-57.09	325.88	1.80	-55.29
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019634296	1	36	-1.0	-57.01	325.98	1.79	-55.22
O=C(C=CC1=CC(Br)=CS1)NC1=N[N-]N=N1	REAL300019634297	0	21	-1.0	-43.32	233.74	4.72	-38.60
O=C(C=CC1=CC(Br)=CS1)NC1=NN=N[N-]1	REAL300019634297	1	21	-1.0	-43.46	233.63	4.72	-38.74
CS(=O)(=O)C1=CC=C(SC2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL300019634298	0	37	-1.0	-53.96	344.20	5.42	-48.54
CS(=O)(=O)C1=CC=C(SC2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL300019634298	1	37	-1.0	-53.93	344.29	5.41	-48.52
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC(Br)=C2)CCCCC1	REAL300019634299	0	36	-1.0	-43.87	301.36	7.67	-36.20
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC(Br)=C2)CCCCC1	REAL300019634299	1	36	-1.0	-43.93	301.27	7.69	-36.24
O=C(NC1=NN=N[N-]1)C1=CC=C(N2C=C(Br)C=N2)N=N1	REAL300019634300	0	25	-1.0	-40.94	262.17	3.78	-37.16
O=C(NC1=N[N-]N=N1)C1=CC=C(N2C=C(Br)C=N2)N=N1	REAL300019634300	1	25	-1.0	-40.86	262.27	3.78	-37.08
O=C(NC1=NN=N[N-]1)C1=CN2C(I)=CN=C2C=C1	REAL300019634301	0	23	-1.0	-41.79	241.87	5.30	-36.49
O=C(NC1=N[N-]N=N1)C1=CN2C(I)=CN=C2C=C1	REAL300019634301	1	23	-1.0	-41.70	241.97	5.30	-36.40
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1OC1CCCC1	REAL300019634302	0	34	-1.0	-48.46	296.52	7.70	-40.76
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1OC1CCCC1	REAL300019634302	1	34	-1.0	-48.37	296.62	7.68	-40.69
CC(C)CC(CC1=CC=CC(Br)=C1)C(=O)NC1=N[N-]N=N1	REAL300019634303	0	38	-1.0	-42.00	323.94	8.20	-33.80
CC(C)CC(CC1=CC=CC(Br)=C1)C(=O)NC1=NN=N[N-]1	REAL300019634303	1	38	-1.0	-42.07	323.84	8.22	-33.85
CC(C)C(C(=O)NC1=N[N-]N=N1)N1C=C(Br)C=N1	REAL300019634304	0	29	-1.0	-40.80	264.57	4.08	-36.72
CC(C)C(C(=O)NC1=NN=N[N-]1)N1C=C(Br)C=N1	REAL300019634304	1	29	-1.0	-40.84	264.48	4.09	-36.75
O=C(NC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)OCC(F)(F)F	REAL300019634305	0	31	-1.0	-48.34	296.05	3.41	-44.93
O=C(NC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)OCC(F)(F)F	REAL300019634305	1	31	-1.0	-48.39	295.95	3.41	-44.98
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CN=C2)=NC2=C(Br)C=CC=C12	REAL300019634306	0	34	-1.0	-43.38	316.38	6.79	-36.59
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CN=C2)=NC2=C(Br)C=CC=C12	REAL300019634306	1	34	-1.0	-43.33	316.48	6.80	-36.53
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300019634307	0	30	-1.0	-42.04	286.92	7.05	-34.99
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300019634307	1	30	-1.0	-42.11	286.82	7.07	-35.04
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl	REAL300019634308	0	31	-1.0	-53.66	312.23	7.50	-46.16
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl	REAL300019634308	1	31	-1.0	-53.60	312.31	7.49	-46.11
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL300019634309	0	40	-1.0	-48.11	348.91	9.93	-38.18
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL300019634309	1	40	-1.0	-48.06	349.01	9.92	-38.14
CCC1=CC=C(C(=O)N2CCC(C(=O)NC3=N[N-]N=N3)CC2)O1	REAL300019634310	0	40	-1.0	-48.84	328.67	5.41	-43.43
CCC1=CC=C(C(=O)N2CCC(C(=O)NC3=NN=N[N-]3)CC2)O1	REAL300019634310	1	40	-1.0	-48.91	328.58	5.44	-43.47
CC(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300019634311	0	29	-1.0	-45.01	264.66	6.23	-38.78
CC(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300019634311	1	29	-1.0	-45.07	264.57	6.24	-38.83
CCC1=NC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300019634312	0	32	-1.0	-54.92	291.19	6.04	-48.88
CCC1=NC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300019634312	1	32	-1.0	-54.98	291.09	6.04	-48.94
COC1=CC=C(C2=NC=C(C(=O)NC3=NN=N[N-]3)S2)C=C1	REAL300019634313	0	30	-1.0	-44.12	283.60	4.03	-40.09
COC1=CC=C(C2=NC=C(C(=O)NC3=N[N-]N=N3)S2)C=C1	REAL300019634313	1	30	-1.0	-44.00	283.71	4.02	-39.98
O=C(NC1=N[N-]N=N1)C(C1=CC=CC=C1F)N1CCOCC1	REAL300019634314	0	36	-1.0	-44.96	293.94	3.38	-41.58
O=C(NC1=NN=N[N-]1)C(C1=CC=CC=C1F)N1CCOCC1	REAL300019634314	1	36	-1.0	-45.03	293.85	3.39	-41.64
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019634315	0	36	-1.0	-56.71	307.12	4.82	-51.89
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019634315	1	36	-1.0	-48.76	306.91	4.80	-43.96
CC(C)(C)C(=O)NC1=NC(CC(=O)NC2=N[N-]N=N2)=CS1	REAL300019634316	0	35	-1.0	-50.76	310.70	3.64	-47.12
CC(C)(C)C(=O)NC1=NC(CC(=O)NC2=NN=N[N-]2)=CS1	REAL300019634316	1	35	-1.0	-50.81	310.60	3.65	-47.16
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL300019634317	0	41	-1.0	-47.04	350.49	5.18	-41.86
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL300019634317	1	41	-1.0	-47.09	350.39	5.18	-41.91
O=C(NC1=NN=N[N-]1)C1CCCN(C2=C3C=CSC3=NC=N2)C1	REAL300019634318	0	36	-1.0	-50.77	307.36	5.26	-45.51
O=C(NC1=N[N-]N=N1)C1CCCN(C2=C3C=CSC3=NC=N2)C1	REAL300019634318	1	36	-1.0	-50.73	307.45	5.24	-45.49
O=C(NC1=N[N-]N=N1)C(C1=CC=C(Cl)C=C1Cl)N1CCOCC1	REAL300019634319	0	36	-1.0	-42.48	316.08	4.36	-38.12
O=C(NC1=NN=N[N-]1)C(C1=CC=C(Cl)C=C1Cl)N1CCOCC1	REAL300019634319	1	36	-1.0	-42.59	315.98	4.38	-38.21
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1	REAL300019634320	0	35	-1.0	-44.97	325.45	6.31	-38.66
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1	REAL300019634320	1	35	-1.0	-44.96	325.54	6.30	-38.66
CC(C)(C)CC1=NC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=NO1	REAL300019634321	0	40	-1.0	-45.73	337.84	5.83	-39.90
CC(C)(C)CC1=NC(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=NO1	REAL300019634321	1	40	-1.0	-45.62	337.92	5.81	-39.81
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C=C1C1=CC=C(Cl)C(Cl)=C1	REAL300019634322	0	30	-1.0	-41.20	301.69	8.32	-32.88
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C=C1C1=CC=C(Cl)C(Cl)=C1	REAL300019634322	1	30	-1.0	-41.13	301.78	8.32	-32.81
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)NC1=N[N-]N=N1	REAL300019634323	0	39	-1.0	-55.40	334.96	2.08	-53.32
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)NC1=NN=N[N-]1	REAL300019634323	1	39	-1.0	-55.47	334.86	2.09	-53.38
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1NC(=O)OC(C)(C)C	REAL300019634324	0	40	-1.0	-54.65	328.07	4.98	-49.67
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300019634324	1	40	-1.0	-54.70	327.97	5.01	-49.69
CC(C)=CC(=O)NCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019634325	0	37	-1.0	-47.26	319.27	4.94	-42.32
CC(C)=CC(=O)NCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019634325	1	37	-1.0	-47.20	319.37	4.92	-42.28
CN1C(C(=O)NC2=NN=N[N-]2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300019634326	0	30	-1.0	-41.56	277.36	6.34	-35.22
CN1C(C(=O)NC2=N[N-]N=N2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300019634326	1	30	-1.0	-41.46	277.46	6.32	-35.14
O=C(NC1=N[N-]N=N1)C(C1=CC=CC(Br)=C1)N1CCCC1	REAL300019634327	0	35	-1.0	-43.42	309.80	5.43	-37.99
O=C(NC1=NN=N[N-]1)C(C1=CC=CC(Br)=C1)N1CCCC1	REAL300019634327	1	35	-1.0	-43.48	309.71	5.43	-38.05
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300019634328	0	23	-1.0	-44.14	241.71	4.93	-39.21
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300019634328	1	23	-1.0	-44.22	241.62	4.95	-39.27
O=C(CCC1=NC2=CC(Br)=CC=C2S1)NC1=N[N-]N=N1	REAL300019634329	0	28	-1.0	-44.49	286.56	5.31	-39.18
O=C(CCC1=NC2=CC(Br)=CC=C2S1)NC1=NN=N[N-]1	REAL300019634329	1	28	-1.0	-44.53	286.47	5.33	-39.20
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019634330	0	35	-1.0	-55.95	300.71	3.07	-52.88
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019634330	1	35	-1.0	-55.86	300.80	3.06	-52.80
CC(C)OC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019634331	0	30	-1.0	-42.75	277.95	5.29	-37.46
CC(C)OC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019634331	1	30	-1.0	-42.67	278.05	5.26	-37.41
O=C(NC1=N[N-]N=N1)C12CC3CC(C1)CC(C(F)(F)C(F)C(F)(F)F)(C3)C2	REAL300019634332	0	43	-1.0	-50.12	335.55	7.86	-42.26
O=C(NC1=NN=N[N-]1)C12CC3CC(C1)CC(C(F)(F)C(F)C(F)(F)F)(C3)C2	REAL300019634332	1	43	-1.0	-50.19	335.46	7.87	-42.32
CC1=NN(CC2=CC=CC(Br)=C2)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL300019634333	0	36	-1.0	-45.44	334.02	6.88	-38.56
CC1=NN(CC2=CC=CC(Br)=C2)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL300019634333	1	36	-1.0	-45.49	333.92	6.90	-38.59
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300019634334	0	30	-1.0	-44.37	290.48	4.60	-39.77
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300019634334	1	30	-1.0	-44.33	290.59	4.59	-39.74
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1I	REAL300019634335	0	26	-1.0	-44.53	255.06	7.16	-37.37
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1I	REAL300019634335	1	26	-1.0	-44.48	255.16	7.14	-37.34
CC1=C(C(=O)NC2=NN=N[N-]2)C2=CC(Br)=CC=C2N=C1C1CC1	REAL300019634336	0	35	-1.0	-44.41	319.71	7.29	-37.12
CC1=C(C(=O)NC2=N[N-]N=N2)C2=CC(Br)=CC=C2N=C1C1CC1	REAL300019634336	1	35	-1.0	-44.41	319.80	7.29	-37.12
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300019634337	0	22	-1.0	-50.36	232.95	6.03	-44.33
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300019634337	1	22	-1.0	-50.28	233.04	6.02	-44.26
CC1=CC(N2C(=O)C3=CC=CC=C3C2=O)=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019634338	0	37	-1.0	-48.94	318.42	7.16	-41.78
CC1=CC(N2C(=O)C3=CC=CC=C3C2=O)=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019634338	1	37	-1.0	-48.84	318.52	7.14	-41.70
O=C(CCC1=CC(Cl)=CC=C1Br)NC1=N[N-]N=N1	REAL300019634339	0	26	-1.0	-42.72	267.49	6.27	-36.45
O=C(CCC1=CC(Cl)=CC=C1Br)NC1=NN=N[N-]1	REAL300019634339	1	26	-1.0	-42.78	267.40	6.28	-36.50
CC1=CC=C(S(=O)(=O)C2(C(=O)NC3=N[N-]N=N3)CCCC2)C=C1	REAL300019634340	0	39	-1.0	-47.09	326.70	4.96	-42.13
CC1=CC=C(S(=O)(=O)C2(C(=O)NC3=NN=N[N-]3)CCCC2)C=C1	REAL300019634340	1	39	-1.0	-47.13	326.61	4.97	-42.16
CC1=CC2=C(C(=O)NC3=NN=N[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300019634341	0	38	-1.0	-44.80	314.73	7.70	-37.10
CC1=CC2=C(C(=O)NC3=N[N-]N=N3)C=C(C3CC3)N=C2C(C)=C1	REAL300019634341	1	38	-1.0	-44.73	314.83	7.70	-37.03
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NC1=N[N-]N=N1	REAL300019634342	0	42	-1.0	-47.32	345.07	10.04	-37.28
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NC1=NN=N[N-]1	REAL300019634342	1	42	-1.0	-47.43	344.98	10.05	-37.38
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=C(Br)C=C1	REAL300019634343	0	30	-1.0	-46.42	288.91	6.00	-40.42
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=C(Br)C=C1	REAL300019634343	1	30	-1.0	-46.49	288.81	6.00	-40.49
CC1=C(C(=O)NC2=NN=N[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300019634344	0	31	-1.0	-45.94	286.98	0.62	-45.32
CC1=C(C(=O)NC2=N[N-]N=N2)C=C(S(=O)(=O)N(C)C)O1	REAL300019634344	1	31	-1.0	-45.89	287.08	0.61	-45.28
COC1=CC(OC)=CC(N2CC(C(=O)NC3=N[N-]N=N3)CC2=O)=C1	REAL300019634345	0	39	-1.0	-56.99	325.00	3.43	-53.56
COC1=CC(OC)=CC(N2CC(C(=O)NC3=NN=N[N-]3)CC2=O)=C1	REAL300019634345	1	39	-1.0	-57.03	324.91	3.45	-53.58
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1	REAL300019634346	0	31	-1.0	-43.52	300.35	7.29	-36.23
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1	REAL300019634346	1	31	-1.0	-43.45	300.45	7.29	-36.16
CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019634347	0	37	-1.0	-47.47	323.43	2.32	-45.15
CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019634347	1	37	-1.0	-47.41	323.53	2.31	-45.10
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019634348	0	38	-1.0	-56.96	326.42	8.43	-48.53
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019634348	1	38	-1.0	-56.90	326.51	8.41	-48.49
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300019634349	0	30	-1.0	-45.20	279.47	6.05	-39.15
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300019634349	1	30	-1.0	-45.11	279.57	6.05	-39.06
CC(C)(C)OC(=O)NCCCN1C=CC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL300019634350	0	50	-1.0	-53.59	410.99	6.99	-46.60
CC(C)(C)OC(=O)NCCCN1C=CC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL300019634350	1	50	-1.0	-53.49	411.09	7.00	-46.49
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)NC1=N[N-]N=N1	REAL300019634351	0	33	-1.0	-50.10	318.99	6.80	-43.30
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)NC1=NN=N[N-]1	REAL300019634351	1	33	-1.0	-50.18	318.89	6.82	-43.36
O=C(NC1=NN=N[N-]1)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl	REAL300019634352	0	32	-1.0	-48.99	305.76	2.65	-46.34
O=C(NC1=N[N-]N=N1)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl	REAL300019634352	1	32	-1.0	-48.91	305.85	2.63	-46.28
O=C(NC1=NN=N[N-]1)C1=C2OCCOC2=CC([N+](=O)[O-])=C1[N+](=O)[O-]	REAL300019634353	0	30	-1.0	-54.49	290.19	4.96	-49.53
O=C(NC1=N[N-]N=N1)C1=C2OCCOC2=CC([N+](=O)[O-])=C1[N+](=O)[O-]	REAL300019634353	1	30	-1.0	-54.41	290.29	4.95	-49.46
O=C(NC1=NN=N[N-]1)C1=CC=C(CS(=O)(=O)C(F)F)C=C1	REAL300019634354	0	29	-1.0	-51.98	285.48	2.41	-49.57
O=C(NC1=N[N-]N=N1)C1=CC=C(CS(=O)(=O)C(F)F)C=C1	REAL300019634354	1	29	-1.0	-51.92	285.58	2.40	-49.52
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300019634355	0	41	-1.0	-53.06	345.34	3.68	-49.38
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(=O)(=O)NC1CCCC1	REAL300019634355	1	41	-1.0	-52.97	345.44	3.66	-49.31
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300019634356	0	31	-1.0	-45.76	292.82	7.21	-38.55
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300019634356	1	31	-1.0	-45.66	292.91	7.20	-38.46
N#CC1=CC=CC=C1SC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019634357	0	32	-1.0	-49.94	306.78	8.14	-41.80
N#CC1=CC=CC=C1SC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019634357	1	32	-1.0	-49.89	306.88	8.14	-41.75
O=C(NC1=NN=N[N-]1)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300019634358	0	29	-1.0	-42.02	292.88	5.72	-36.30
O=C(NC1=N[N-]N=N1)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300019634358	1	29	-1.0	-41.97	292.98	5.71	-36.26
O=C(NC1=NN=N[N-]1)C1=CC=C(I)C(Cl)=C1	REAL300019634359	0	20	-1.0	-39.71	229.54	5.35	-34.36
O=C(NC1=N[N-]N=N1)C1=CC=C(I)C(Cl)=C1	REAL300019634359	1	20	-1.0	-39.63	229.64	5.33	-34.30
O=C(NC1=NN=N[N-]1)C1=CC(N2CCNC2=O)=CC=C1Cl	REAL300019634360	0	30	-1.0	-48.18	272.37	3.05	-45.13
O=C(NC1=N[N-]N=N1)C1=CC(N2CCNC2=O)=CC=C1Cl	REAL300019634360	1	30	-1.0	-48.08	272.47	3.03	-45.05
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)NC1=NN=N[N-]1	REAL300019634361	0	32	-1.0	-45.28	303.79	6.16	-39.12
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)NC1=N[N-]N=N1	REAL300019634361	1	32	-1.0	-45.23	303.89	6.14	-39.09
COC(=O)COC1=C(C)C=C(C(=O)NC2=NN=N[N-]2)C=C1C	REAL300019634362	0	36	-1.0	-47.38	314.95	6.22	-41.16
COC(=O)COC1=C(C)C=C(C(=O)NC2=N[N-]N=N2)C=C1C	REAL300019634362	1	36	-1.0	-47.31	315.05	6.20	-41.11
CC1=CC=C(SC2(C(=O)NC3=N[N-]N=N3)CCCC2)C=C1	REAL300019634363	0	37	-1.0	-44.58	305.60	7.73	-36.85
CC1=CC=C(SC2(C(=O)NC3=NN=N[N-]3)CCCC2)C=C1	REAL300019634363	1	37	-1.0	-44.67	305.51	7.75	-36.92
O=C(NC1=NN=N[N-]1)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21	REAL300019634364	0	32	-1.0	-43.35	289.94	6.72	-36.63
O=C(NC1=N[N-]N=N1)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21	REAL300019634364	1	32	-1.0	-43.31	290.04	6.72	-36.59
O=C(CCSC1=CC=NC2=CC(Cl)=CC=C21)NC1=NN=N[N-]1	REAL300019634365	0	32	-1.0	-44.21	307.06	6.52	-37.69
O=C(CCSC1=CC=NC2=CC(Cl)=CC=C21)NC1=N[N-]N=N1	REAL300019634365	1	32	-1.0	-44.11	307.15	6.50	-37.61
O=C(CC1=CC=CC(I)=C1)NC1=N[N-]N=N1	REAL300019634366	0	23	-1.0	-44.18	239.92	5.56	-38.62
O=C(CC1=CC=CC(I)=C1)NC1=NN=N[N-]1	REAL300019634366	1	23	-1.0	-44.27	239.83	5.58	-38.69
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)NC1=N[N-]N=N1	REAL300019634367	0	36	-1.0	-45.65	329.40	6.77	-38.88
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)NC1=NN=N[N-]1	REAL300019634367	1	36	-1.0	-45.72	329.30	6.79	-38.93
O=C(NC1=N[N-]N=N1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300019634368	0	37	-1.0	-45.53	287.44	6.45	-39.08
O=C(NC1=NN=N[N-]1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300019634368	1	37	-1.0	-45.58	287.35	6.45	-39.13
CC1=CC(CCC(=O)NC2=N[N-]N=N2)=CC=C1Br	REAL300019634369	0	29	-1.0	-42.68	273.05	6.47	-36.21
CC1=CC(CCC(=O)NC2=NN=N[N-]2)=CC=C1Br	REAL300019634369	1	29	-1.0	-42.73	272.95	6.48	-36.25
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NC1=N[N-]N=N1	REAL300019634370	0	40	-1.0	-51.14	348.53	4.77	-46.37
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NC1=NN=N[N-]1	REAL300019634370	1	40	-1.0	-51.17	348.44	4.78	-46.39
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)NC1=N[N-]N=N1	REAL300019634371	0	37	-1.0	-42.77	324.86	5.27	-37.50
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)NC1=NN=N[N-]1	REAL300019634371	1	37	-1.0	-42.82	324.77	5.28	-37.54
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(I)=C1	REAL300019634372	0	20	-1.0	-40.02	220.69	4.95	-35.07
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(I)=C1	REAL300019634372	1	20	-1.0	-39.95	220.79	4.93	-35.02
CC(CC1=CC=C(F)C(Br)=C1)C(=O)NC1=N[N-]N=N1	REAL300019634373	0	29	-1.0	-42.45	275.92	6.40	-36.05
CC(CC1=CC=C(F)C(Br)=C1)C(=O)NC1=NN=N[N-]1	REAL300019634373	1	29	-1.0	-42.51	275.83	6.42	-36.09
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)NC1=N[N-]N=N1	REAL300019634374	0	25	-1.0	-45.06	258.58	5.65	-39.41
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)NC1=NN=N[N-]1	REAL300019634374	1	25	-1.0	-45.12	258.49	5.67	-39.45
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NC2=NN=N[N-]2)S1	REAL300019634375	0	30	-1.0	-44.57	284.18	7.16	-37.41
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NC2=N[N-]N=N2)S1	REAL300019634375	1	30	-1.0	-44.50	284.29	7.15	-37.35
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1	REAL300019634376	0	34	-1.0	-47.18	315.32	7.12	-40.06
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1	REAL300019634376	1	34	-1.0	-47.16	315.41	7.12	-40.04
O=C(NC1=NN=N[N-]1)C1=C(F)C=C(Br)C=C1F	REAL300019634377	0	20	-1.0	-43.94	224.98	4.39	-39.55
O=C(NC1=N[N-]N=N1)C1=C(F)C=C(Br)C=C1F	REAL300019634377	1	20	-1.0	-43.92	225.07	4.38	-39.54
CC(CS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)NC1=N[N-]N=N1	REAL300019634378	0	32	-1.0	-45.46	308.44	3.67	-41.79
CC(CS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)NC1=NN=N[N-]1	REAL300019634378	1	32	-1.0	-45.52	308.34	3.69	-41.83
CS(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300019634379	0	26	-1.0	-47.38	270.34	2.24	-45.14
CS(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300019634379	1	26	-1.0	-47.29	270.43	2.22	-45.07
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL300019634380	0	30	-1.0	-40.54	283.93	5.63	-34.91
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL300019634380	1	30	-1.0	-40.44	284.03	5.62	-34.82
CN(C)C1=CC=C(C2=CN=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL300019634381	0	37	-1.0	-45.45	307.79	5.82	-39.63
CN(C)C1=CC=C(C2=CN=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL300019634381	1	37	-1.0	-45.42	307.89	5.81	-39.61
O=C(CCCC1=C(Cl)SC(Cl)=C1)NC1=N[N-]N=N1	REAL300019634382	0	26	-1.0	-45.15	277.44	6.16	-38.99
O=C(CCCC1=C(Cl)SC(Cl)=C1)NC1=NN=N[N-]1	REAL300019634382	1	26	-1.0	-45.19	277.34	6.17	-39.02
O=C(NC1=N[N-]N=N1)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300019634383	0	38	-1.0	-55.73	328.36	6.11	-49.62
O=C(NC1=NN=N[N-]1)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300019634383	1	38	-1.0	-55.82	328.26	6.13	-49.69
CC1=CC(I)=CC(C(=O)NC2=NN=N[N-]2)=C1C	REAL300019634384	0	26	-1.0	-41.83	248.10	6.10	-35.73
CC1=CC(I)=CC(C(=O)NC2=N[N-]N=N2)=C1C	REAL300019634384	1	26	-1.0	-41.77	248.20	6.10	-35.67
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1I	REAL300019634385	0	24	-1.0	-45.21	243.48	4.26	-40.95
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1I	REAL300019634385	1	24	-1.0	-45.12	243.58	4.26	-40.86
CC1=CC=C(I)C=C1C(=O)NC1=NN=N[N-]1	REAL300019634386	0	23	-1.0	-42.01	231.26	5.58	-36.43
CC1=CC=C(I)C=C1C(=O)NC1=N[N-]N=N1	REAL300019634386	1	23	-1.0	-41.93	231.35	5.57	-36.36
COC(=O)NC1=CC(C(=O)NC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019634387	0	31	-1.0	-47.03	293.12	3.03	-44.00
COC(=O)NC1=CC(C(=O)NC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019634387	1	31	-1.0	-47.10	293.29	3.03	-44.07
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300019634388	0	20	-1.0	-39.89	223.50	4.88	-35.01
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C(Cl)=C1	REAL300019634388	1	20	-1.0	-39.79	223.59	4.87	-34.92
CC1=CC=C(N2N=C(Br)C=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL300019634389	0	30	-1.0	-41.16	287.54	5.95	-35.21
CC1=CC=C(N2N=C(Br)C=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL300019634389	1	30	-1.0	-41.12	287.64	5.95	-35.17
CC1=C(C(=O)NC2=NN=N[N-]2)C(=O)OC2=CC=C(Br)C=C21	REAL300019634390	0	28	-1.0	-47.13	268.58	6.45	-40.68
CC1=C(C(=O)NC2=N[N-]N=N2)C(=O)OC2=CC=C(Br)C=C21	REAL300019634390	1	28	-1.0	-47.06	268.68	6.46	-40.60
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL300019634391	0	32	-1.0	-45.75	293.55	3.11	-42.64
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL300019634391	1	32	-1.0	-45.83	293.45	3.13	-42.70
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)NC1=NN=N[N-]1)S2	REAL300019634392	0	36	-1.0	-45.17	320.41	7.76	-37.41
COC1=CC=C(C2=NN(CCC#N)C=C2C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019634393	0	40	-1.0	-50.90	363.93	7.23	-43.67
COC1=CC=C(C2=NN(CCC#N)C=C2C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019634393	1	40	-1.0	-50.81	364.03	7.22	-43.59
CC1=CC=C(C2=NN(CCC#N)C=C2C(=O)NC2=NN=N[N-]2)C=C1C	REAL300019634394	0	40	-1.0	-52.75	347.51	7.69	-45.06
CC1=CC=C(C2=NN(CCC#N)C=C2C(=O)NC2=N[N-]N=N2)C=C1C	REAL300019634394	1	40	-1.0	-52.66	347.61	7.69	-44.97
N#CCCN1C=C(C(=O)NC2=NN=N[N-]2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300019634395	0	36	-1.0	-52.42	336.68	7.15	-45.27
N#CCCN1C=C(C(=O)NC2=N[N-]N=N2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300019634395	1	36	-1.0	-52.36	336.77	7.14	-45.22
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NC2=NN=N[N-]2)O1	REAL300019634396	0	31	-1.0	-48.96	282.65	0.44	-48.52
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NC2=N[N-]N=N2)O1	REAL300019634396	1	31	-1.0	-48.89	282.75	0.42	-48.47
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300019634397	0	22	-1.0	-41.25	236.89	5.09	-36.16
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300019634397	1	22	-1.0	-41.18	236.99	5.07	-36.11
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NC1=N[N-]N=N1	REAL300019634398	0	30	-1.0	-47.85	283.08	5.16	-42.69
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NC1=NN=N[N-]1	REAL300019634398	1	30	-1.0	-47.91	282.98	5.18	-42.73
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300019634399	0	23	-1.0	-42.03	242.83	5.30	-36.73
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300019634399	1	23	-1.0	-41.99	242.92	5.28	-36.71
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300019634400	0	29	-1.0	-43.55	273.51	5.95	-37.60
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300019634400	1	29	-1.0	-43.47	273.61	5.94	-37.53
CCC(CC1=CC=CC=C1Br)C(=O)NC1=N[N-]N=N1	REAL300019634401	0	32	-1.0	-44.90	281.90	6.69	-38.21
CCC(CC1=CC=CC=C1Br)C(=O)NC1=NN=N[N-]1	REAL300019634401	1	32	-1.0	-44.98	281.82	6.70	-38.28
O=C(NC1=NN=N[N-]1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300019634402	0	34	-1.0	-45.97	292.71	5.28	-40.69
O=C(NC1=N[N-]N=N1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300019634402	1	34	-1.0	-45.95	292.81	5.27	-40.68
COC1=CC=C(Br)C(CC(=O)NC2=N[N-]N=N2)=C1	REAL300019634403	0	27	-1.0	-45.52	259.32	4.25	-41.27
COC1=CC=C(Br)C(CC(=O)NC2=NN=N[N-]2)=C1	REAL300019634403	1	27	-1.0	-45.57	259.23	4.26	-41.31
CC1=CC2=C(N3CCCC3C(=O)NC3=NN=N[N-]3)N=CN=C2S1	REAL300019634404	0	36	-1.0	-52.61	313.56	5.44	-47.17
CC1=CC2=C(N3CCCC3C(=O)NC3=N[N-]N=N3)N=CN=C2S1	REAL300019634404	1	36	-1.0	-52.53	313.65	5.42	-47.11
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NC3=NN=N[N-]3)S2)C=C1	REAL300019634405	0	35	-1.0	-52.46	320.01	4.24	-48.22
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NC3=N[N-]N=N3)S2)C=C1	REAL300019634405	1	35	-1.0	-52.34	320.12	4.23	-48.11
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300019634406	0	30	-1.0	-45.13	293.19	4.82	-40.31
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300019634406	1	30	-1.0	-45.06	293.28	4.82	-40.24
O=C(NC1=NN=N[N-]1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300019634407	0	39	-1.0	-44.60	323.83	8.88	-35.72
O=C(NC1=N[N-]N=N1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300019634407	1	39	-1.0	-44.52	323.93	8.88	-35.64
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1Br	REAL300019634408	0	23	-1.0	-42.39	242.39	5.42	-36.97
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1Br	REAL300019634408	1	23	-1.0	-42.33	242.49	5.41	-36.92
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NC1=N[N-]N=N1)C2=O	REAL300019634409	0	41	-1.0	-51.17	322.03	4.00	-47.17
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NC1=NN=N[N-]1)C2=O	REAL300019634409	1	41	-1.0	-51.23	321.93	4.01	-47.22
O=C(NC1=NN=N[N-]1)C1=CC(I)=CC=C1F	REAL300019634410	0	20	-1.0	-45.12	219.74	4.98	-40.14
O=C(NC1=N[N-]N=N1)C1=CC(I)=CC=C1F	REAL300019634410	1	20	-1.0	-45.03	219.83	4.97	-40.06
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1=N[N-]N=N1	REAL300019634411	0	43	-1.0	-53.98	357.04	6.31	-47.67
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1=NN=N[N-]1	REAL300019634411	1	43	-1.0	-54.03	356.95	6.32	-47.71
COC1=CC2=CC(C(=O)NC3=NN=N[N-]3)=C(Cl)N=C2C=C1	REAL300019634412	0	29	-1.0	-46.18	270.70	3.94	-42.24
COC1=CC2=CC(C(=O)NC3=N[N-]N=N3)=C(Cl)N=C2C=C1	REAL300019634412	1	29	-1.0	-46.08	270.79	3.93	-42.15
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C(N2CCNC2=O)=C1	REAL300019634413	0	30	-1.0	-51.80	283.22	3.58	-48.22
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C(N2CCNC2=O)=C1	REAL300019634413	1	30	-1.0	-51.78	283.32	3.57	-48.21
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)NC1=N[N-]N=N1	REAL300019634414	0	37	-1.0	-53.36	323.61	4.93	-48.43
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)NC1=NN=N[N-]1	REAL300019634414	1	37	-1.0	-53.38	323.52	4.94	-48.44
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1	REAL300019634415	0	31	-1.0	-47.56	309.10	8.86	-38.70
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1	REAL300019634415	1	31	-1.0	-47.50	309.19	8.86	-38.64
O=C(NC1=NN=N[N-]1)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300019634416	0	33	-1.0	-46.70	316.04	8.56	-38.14
O=C(NC1=N[N-]N=N1)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300019634416	1	33	-1.0	-46.62	316.14	8.56	-38.06
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(SC2=CC=CC=C2)=N1	REAL300019634417	0	33	-1.0	-48.98	302.29	6.97	-42.01
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(SC2=CC=CC=C2)=N1	REAL300019634417	1	33	-1.0	-48.93	302.39	6.97	-41.96
O=C(NC1=NN=N[N-]1)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1	REAL300019634418	0	30	-1.0	-45.17	294.67	5.55	-39.62
O=C(NC1=N[N-]N=N1)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1	REAL300019634418	1	30	-1.0	-45.11	294.77	5.55	-39.56
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1COC1CCOCC1	REAL300019634419	0	38	-1.0	-44.82	310.23	4.98	-39.84
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1COC1CCOCC1	REAL300019634419	1	38	-1.0	-44.78	310.33	4.96	-39.82
CCN1N=C(C(F)(F)F)C(C(=O)NC2=N[N-]N=N2)=C1C(F)F	REAL300019634420	0	29	-1.0	-50.97	287.46	3.91	-47.06
CCN1N=C(C(F)(F)F)C(C(=O)NC2=NN=N[N-]2)=C1C(F)F	REAL300019634420	1	29	-1.0	-51.04	287.35	3.93	-47.11
O=C(CCCC1=CC=CC(Br)=C1)NC1=N[N-]N=N1	REAL300019634421	0	29	-1.0	-46.22	276.34	6.68	-39.54
O=C(CCCC1=CC=CC(Br)=C1)NC1=NN=N[N-]1	REAL300019634421	1	29	-1.0	-46.24	276.24	6.69	-39.55
O=C(NC1=N[N-]N=N1)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1	REAL300019634422	0	30	-1.0	-44.62	314.02	5.74	-38.88
O=C(NC1=NN=N[N-]1)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1	REAL300019634422	1	30	-1.0	-44.69	313.92	5.75	-38.94
CC1=CC=C(N2C=C(C(=O)NC3=NN=N[N-]3)C(C(C)(C)C)=N2)C=C1	REAL300019634423	0	42	-1.0	-44.40	338.75	8.01	-36.39
CC1=CC=C(N2C=C(C(=O)NC3=N[N-]N=N3)C(C(C)(C)C)=N2)C=C1	REAL300019634423	1	42	-1.0	-44.33	338.84	7.99	-36.34
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL300019634424	0	39	-1.0	-44.67	317.34	7.33	-37.34
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL300019634424	1	39	-1.0	-44.53	317.44	7.32	-37.21
CSC1=CC(C(=O)NC2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300019634425	0	24	-1.0	-40.92	255.06	5.80	-35.12
CSC1=CC(C(=O)NC2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300019634425	1	24	-1.0	-40.84	255.16	5.78	-35.06
N#CCCN(C(=O)CCC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019634426	0	37	-1.0	-48.67	329.51	6.59	-42.08
N#CCCN(C(=O)CCC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019634426	1	37	-1.0	-48.74	329.42	6.61	-42.13
CC(=O)NC1=CC(C(=O)NC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019634427	0	30	-1.0	-47.35	282.79	3.69	-43.66
CC(=O)NC1=CC(C(=O)NC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019634427	1	30	-1.0	-47.27	282.89	3.67	-43.60
CC1=C(I)C=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019634428	0	23	-1.0	-43.06	227.19	5.45	-37.61
CC1=C(I)C=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019634428	1	23	-1.0	-42.96	227.29	5.44	-37.52
O=C(NC1=NN=N[N-]1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300019634429	0	30	-1.0	-56.85	287.16	6.01	-50.84
O=C(NC1=N[N-]N=N1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300019634429	1	30	-1.0	-56.78	287.25	5.98	-50.80
O=C(CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)NC1=N[N-]N=N1	REAL300019634430	0	31	-1.0	-44.35	301.81	1.76	-42.59
O=C(CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)NC1=NN=N[N-]1	REAL300019634430	1	31	-1.0	-44.40	301.71	1.78	-42.62
CC1=CC=CC(I)=C1C(=O)NC1=NN=N[N-]1	REAL300019634431	0	23	-1.0	-45.77	236.83	5.19	-40.58
CC1=CC=CC(I)=C1C(=O)NC1=N[N-]N=N1	REAL300019634431	1	23	-1.0	-45.72	236.93	5.17	-40.55
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019634432	0	35	-1.0	-46.31	316.34	7.70	-38.61
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019634432	1	35	-1.0	-46.20	316.44	7.69	-38.51
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(F)C=C1I	REAL300019634433	0	20	-1.0	-37.97	221.82	4.99	-32.98
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(F)C=C1I	REAL300019634433	1	20	-1.0	-37.85	221.92	4.98	-32.87
O=C(NC1=NN=N[N-]1)C1=CC=CC(Br)=C1I	REAL300019634434	0	20	-1.0	-43.89	227.57	5.40	-38.49
O=C(NC1=N[N-]N=N1)C1=CC=CC(Br)=C1I	REAL300019634434	1	20	-1.0	-43.81	227.67	5.38	-38.43
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C(I)=C1	REAL300019634435	0	24	-1.0	-43.81	238.54	4.18	-39.63
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C(I)=C1	REAL300019634435	1	24	-1.0	-43.74	238.64	4.18	-39.56
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1Br	REAL300019634436	0	20	-1.0	-42.22	220.39	4.94	-37.28
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1Br	REAL300019634436	1	20	-1.0	-42.11	220.49	4.92	-37.19
O=C(NC1=NN=N[N-]1)C1=CC(I)=CC=C1Cl	REAL300019634437	0	20	-1.0	-42.62	227.71	5.42	-37.20
O=C(NC1=N[N-]N=N1)C1=CC(I)=CC=C1Cl	REAL300019634437	1	20	-1.0	-42.56	227.81	5.40	-37.16
O=C(CCCC1=CC=CC=C1Br)NC1=N[N-]N=N1	REAL300019634438	0	29	-1.0	-46.52	271.23	6.49	-40.03
O=C(CCCC1=CC=CC=C1Br)NC1=NN=N[N-]1	REAL300019634438	1	29	-1.0	-46.54	271.14	6.51	-40.03
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CCCC1	REAL300019634439	0	43	-1.0	-45.76	338.08	3.88	-41.88
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CCCC1	REAL300019634439	1	43	-1.0	-45.85	337.99	3.90	-41.95
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NC1=NN=N[N-]1	REAL300019634440	0	30	-1.0	-51.70	279.57	6.33	-45.37
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NC1=N[N-]N=N1	REAL300019634440	1	30	-1.0	-51.65	279.67	6.33	-45.32
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300019634441	0	30	-1.0	-44.79	308.36	5.26	-39.53
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300019634441	1	30	-1.0	-44.70	308.46	5.27	-39.43
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)NC1=N[N-]N=N1	REAL300019634442	0	42	-1.0	-50.46	342.88	8.26	-42.20
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)NC1=NN=N[N-]1	REAL300019634442	1	42	-1.0	-50.52	342.79	8.27	-42.25
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300019634443	0	29	-1.0	-50.21	271.58	6.22	-43.99
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300019634443	1	29	-1.0	-50.14	271.68	6.20	-43.94
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=C1Br	REAL300019634444	0	20	-1.0	-41.94	224.96	5.04	-36.90
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=C1Br	REAL300019634444	1	20	-1.0	-41.86	225.06	5.03	-36.83
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300019634445	0	29	-1.0	-57.43	277.13	6.01	-51.42
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300019634445	1	29	-1.0	-57.39	277.22	6.00	-51.39
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=N[N-]N=N1	REAL300019634446	0	47	-1.0	-51.94	384.72	5.68	-46.26
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=NN=N[N-]1	REAL300019634446	1	47	-1.0	-51.99	384.63	5.70	-46.29
O=C(NC1=NN=N[N-]1)C1=NC=CN2C(Br)=CN=C12	REAL300019634447	0	22	-1.0	-50.31	232.92	3.28	-47.03
O=C(NC1=N[N-]N=N1)C1=NC=CN2C(Br)=CN=C12	REAL300019634447	1	22	-1.0	-50.22	233.02	3.28	-46.94
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300019634448	0	38	-1.0	-42.28	325.59	6.74	-35.54
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300019634448	1	38	-1.0	-42.38	325.49	6.75	-35.63
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NC2=N[N-]N=N2)CC1	REAL300019634449	0	43	-1.0	-47.13	328.50	5.08	-42.05
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NC2=NN=N[N-]2)CC1	REAL300019634449	1	43	-1.0	-47.25	328.41	5.10	-42.15
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CC1=C(Br)C=C(C(=O)NC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019634458	0	25	-1.0	-41.60	249.39	5.50	-36.10
CC1=C(Br)C=C(C(=O)NC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019634458	1	25	-1.0	-41.53	249.49	5.49	-36.04
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CC1=CC=C(CC2=NC(C(=O)NC3=N[N-]N=N3)=CS2)C=C1	REAL300019634463	0	32	-1.0	-46.85	299.50	5.96	-40.89
CC1=CC=C(CC2=NC(C(=O)NC3=NN=N[N-]3)=CS2)C=C1	REAL300019634463	1	32	-1.0	-46.90	299.40	5.97	-40.93
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CCCOC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1OCCC	REAL300019634467	0	43	-1.0	-48.03	357.60	7.12	-40.91
CCCOC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1OCCC	REAL300019634467	1	43	-1.0	-48.06	357.51	7.13	-40.93
CC(C)(C)OC(=O)N1CCSCC1CC(=O)NC1=N[N-]N=N1	REAL300019634468	0	41	-1.0	-48.68	327.73	5.52	-43.16
CC(C)(C)OC(=O)N1CCSCC1CC(=O)NC1=NN=N[N-]1	REAL300019634468	1	41	-1.0	-48.78	327.64	5.54	-43.24
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1NC(=O)OC(C)(C)C	REAL300019634469	0	40	-1.0	-46.28	327.93	4.99	-41.29
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CC(C)(C)OC(=O)NC(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019634483	0	43	-1.0	-49.93	356.73	5.88	-44.05
CC(C)(C)OC(=O)NC(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019634483	1	43	-1.0	-50.01	356.64	5.89	-44.12
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CC1=C(C(=O)NC2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019634485	0	34	-1.0	-42.60	286.12	4.16	-38.44
CC1=C(C(=O)NC2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019634485	1	34	-1.0	-42.56	286.22	4.16	-38.40
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COC1=CC2=C(C(=O)NC3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019634490	0	36	-1.0	-48.37	302.70	5.52	-42.85
COC1=CC2=C(C(=O)NC3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019634490	1	36	-1.0	-48.30	302.79	5.52	-42.78
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CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)NC1=N[N-]N=N1	REAL300019634496	0	45	-1.0	-47.27	359.76	7.94	-39.33
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)NC1=NN=N[N-]1	REAL300019634496	1	45	-1.0	-47.38	359.66	7.96	-39.42
CC1=CC(C(=O)NC2=NN=N[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019634497	0	31	-1.0	-41.67	297.57	6.27	-35.40
CC1=CC(C(=O)NC2=N[N-]N=N2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019634497	1	31	-1.0	-41.66	297.67	6.26	-35.40
CC(C)(C(=O)NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019634498	0	39	-1.0	-46.85	317.34	8.80	-38.05
CC(C)(C(=O)NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019634498	1	39	-1.0	-46.91	317.24	8.82	-38.09
COC1(C(=O)NC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019634499	0	44	-1.0	-43.03	335.83	3.39	-39.64
COC1(C(=O)NC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019634499	1	44	-1.0	-43.12	335.74	3.43	-39.69
COC(=O)[C@H](CCC(=O)NC1=N[N-]N=N1)NC(=O)OCC1=CC=CC=C1	REAL300019634500	0	43	-1.0	-49.67	380.70	5.36	-44.31
COC(=O)[C@H](CCC(=O)NC1=NN=N[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300019634500	1	43	-1.0	-49.72	380.60	5.38	-44.34
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C=C(C)CN1C(SCC(=O)NC2=N[N-]N=N2)=NN=C1C1=CC=CO1	REAL300019634502	0	37	-1.0	-46.53	340.77	7.08	-39.45
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COC1=CC=C2C(=C1)OCC2CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019645324	0	42	-1.0	-53.06	352.83	4.62	-48.44
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CCC(C)N1N=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1C1CC1	REAL300019645325	0	46	-1.0	-53.52	377.01	6.68	-46.84
CCC(C)N1N=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1C1CC1	REAL300019645325	1	46	-1.0	-53.46	377.07	6.67	-46.79
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=NN1C1CCCC1	REAL300019645326	0	43	-1.0	-53.37	352.29	6.07	-47.30
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=NN1C1CCCC1	REAL300019645326	1	43	-1.0	-53.35	352.36	6.06	-47.29
CCC1=CSC(N2C=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=N2)=N1	REAL300019645327	0	39	-1.0	-57.04	357.89	5.59	-51.45
CCC1=CSC(N2C=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=N2)=N1	REAL300019645327	1	39	-1.0	-57.08	357.82	5.60	-51.48
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CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CC=C1F	REAL300019645331	0	36	-1.0	-54.91	314.18	6.10	-48.81
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CC=C1F	REAL300019645331	1	36	-1.0	-54.87	314.25	6.09	-48.78
CC(C)C(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1	REAL300019645332	0	42	-1.0	-42.30	350.92	7.51	-34.79
CC(C)C(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1	REAL300019645332	1	42	-1.0	-42.26	350.97	7.50	-34.76
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CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC=CC1	REAL300019647255	1	46	-1.0	-54.91	371.88	7.10	-47.81
CC(C)(C)OC(=O)C(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(C)(C)C	REAL300019647256	0	50	-1.0	-60.46	388.44	7.73	-52.73
CC(C)(C)OC(=O)C(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(C)(C)C	REAL300019647256	1	50	-1.0	-60.43	388.51	7.72	-52.71
CC(C)(C)OC(=O)C(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL300019647257	0	45	-1.0	-60.97	366.97	7.66	-53.31
CC(C)(C)OC(=O)C(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL300019647257	1	45	-1.0	-60.87	367.05	7.65	-53.22
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC2CCC1C2	REAL300019647258	0	52	-1.0	-51.50	400.89	7.89	-43.61
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC2CCC1C2	REAL300019647258	1	52	-1.0	-51.45	400.95	7.88	-43.57
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019647259	0	51	-1.0	-62.39	395.13	7.66	-54.73
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019647259	1	51	-1.0	-62.32	395.21	7.65	-54.67
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COC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC(F)(F)CC1	REAL300019647261	0	40	-1.0	-40.04	323.58	3.85	-36.19
COC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC(F)(F)CC1	REAL300019647261	1	40	-1.0	-40.00	323.68	3.84	-36.16
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CCCCCC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NN1	REAL300019647263	0	42	-1.0	-53.60	356.98	5.01	-48.59
CCCCCC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NN1	REAL300019647263	1	42	-1.0	-53.58	357.04	5.00	-48.58
CC(C)[C@H](NCC(F)(F)F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647264	0	40	-1.0	-54.42	341.36	3.42	-51.00
CC(C)[C@H](NCC(F)(F)F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647264	1	40	-1.0	-54.38	341.43	3.41	-50.97
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CC1(C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC(C)(C)C1	REAL300019647270	1	48	-1.0	-52.65	362.93	6.99	-45.66
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CN(C)C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC(C(F)(F)F)=C1	REAL300019647287	1	41	-1.0	-51.52	356.28	6.25	-45.27
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NC(=O)N=NC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019647295	0	36	-1.0	-59.48	327.38	0.08	-59.40
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CC(C)(C)OC(=O)COC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647299	1	49	-1.0	-66.38	407.07	7.79	-58.59
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CC(C)(C)N1C=C(Br)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019647301	1	39	-1.0	-54.90	350.74	5.33	-49.57
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CC(C)(C)OC(=O)CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCOCC1	REAL300019647306	0	52	-1.0	-62.87	399.40	6.21	-56.66
CC(C)(C)OC(=O)CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCOCC1	REAL300019647306	1	52	-1.0	-62.76	399.46	6.20	-56.56
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300019647307	0	44	-1.0	-57.16	371.02	6.39	-50.77
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300019647307	1	44	-1.0	-57.14	371.08	6.39	-50.75
CC(C)C1=CC=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647308	0	39	-1.0	-53.91	324.29	6.68	-47.23
CC(C)C1=CC=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647308	1	39	-1.0	-53.86	324.37	6.67	-47.19
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019647309	0	49	-1.0	-57.48	406.93	7.80	-49.68
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019647309	1	49	-1.0	-57.41	407.00	7.80	-49.61
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647310	0	54	-1.0	-69.36	423.55	7.08	-62.28
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647310	1	54	-1.0	-69.32	423.62	7.07	-62.25
CC1=NN(C(C)CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019647311	0	39	-1.0	-55.99	330.03	4.59	-51.40
CC1=NN(C(C)CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019647311	1	39	-1.0	-55.97	330.09	4.58	-51.39
O=C(CCCC1=CC=CN=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647312	0	38	-1.0	-58.42	328.67	5.38	-53.04
O=C(CCCC1=CC=CN=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647312	1	38	-1.0	-58.44	328.61	5.39	-53.05
COC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1C(F)(F)F	REAL300019647313	0	37	-1.0	-53.87	333.42	5.28	-48.59
COC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1C(F)(F)F	REAL300019647313	1	37	-1.0	-53.84	333.49	5.27	-48.57
COC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCOC1	REAL300019647314	0	38	-1.0	-56.50	317.44	2.77	-53.73
COC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCOC1	REAL300019647314	1	38	-1.0	-56.47	317.50	2.76	-53.71
CC(C)(C)N1N=NC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019647315	0	40	-1.0	-61.80	344.52	3.15	-58.65
CC(C)(C)N1N=NC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019647315	1	40	-1.0	-61.73	344.58	3.14	-58.59
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CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647318	0	38	-1.0	-49.44	335.78	5.10	-44.34
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647318	1	38	-1.0	-49.41	335.84	5.10	-44.31
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COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019647320	1	41	-1.0	-55.69	348.35	6.22	-49.47
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COCC1=CN=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647323	0	36	-1.0	-54.55	316.43	2.82	-51.73
COCC1=CN=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647323	1	36	-1.0	-54.64	316.37	2.83	-51.81
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COC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCCC1	REAL300019647355	1	43	-1.0	-56.01	344.28	5.85	-50.16
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COC1=CC=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1OC(F)F	REAL300019647375	1	41	-1.0	-62.21	359.46	5.06	-57.15
CC1=CC=CC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1Br	REAL300019647376	0	36	-1.0	-53.78	327.29	6.66	-47.12
CC1=CC=CC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1Br	REAL300019647376	1	36	-1.0	-53.84	327.36	6.65	-47.19
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019647377	0	45	-1.0	-60.88	370.05	4.35	-56.53
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019647377	1	45	-1.0	-60.86	370.11	4.35	-56.51
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019647378	0	39	-1.0	-64.97	344.22	5.31	-59.66
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019647378	1	39	-1.0	-64.97	344.16	5.32	-59.65
CC1=CC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NC=C1Cl	REAL300019647379	0	35	-1.0	-61.10	320.41	5.04	-56.06
CC1=CC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NC=C1Cl	REAL300019647379	1	35	-1.0	-61.11	320.47	5.03	-56.08
NC1=C(Cl)C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300019647380	0	32	-1.0	-52.38	310.18	3.95	-48.43
NC1=C(Cl)C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300019647380	1	32	-1.0	-52.35	310.25	3.94	-48.41
CCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC(F)(F)CC1	REAL300019647381	0	42	-1.0	-41.37	328.76	6.65	-34.72
CCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC(F)(F)CC1	REAL300019647381	1	42	-1.0	-41.40	328.85	6.63	-34.77
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647382	0	33	-1.0	-42.94	305.90	3.78	-39.16
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647382	1	33	-1.0	-42.96	306.04	3.77	-39.19
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019647383	0	42	-1.0	-43.19	338.95	6.12	-37.07
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019647383	1	42	-1.0	-56.61	339.01	6.12	-50.49
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(C(F)(F)F)CCOCC1	REAL300019647384	0	37	-1.0	-50.82	309.73	3.56	-47.26
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(C(F)(F)F)CCOCC1	REAL300019647384	1	37	-1.0	-50.79	309.79	3.55	-47.24
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019647385	0	33	-1.0	-52.54	318.10	6.41	-46.13
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019647385	1	33	-1.0	-52.52	318.16	6.40	-46.12
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647386	0	39	-1.0	-64.33	341.52	1.21	-63.12
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647386	1	39	-1.0	-64.30	341.59	1.20	-63.10
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019647387	0	43	-1.0	-54.29	358.58	8.16	-46.13
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019647387	1	43	-1.0	-54.25	358.65	8.15	-46.10
CCCCCCCCCCCCC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647388	0	65	-1.0	-53.91	498.83	12.11	-41.80
CCCCCCCCCCCCC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647388	1	65	-1.0	-53.90	498.90	12.10	-41.80
CCN1C(=O)NC2=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300019647389	0	40	-1.0	-60.42	346.27	4.71	-55.71
CCN1C(=O)NC2=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300019647389	1	40	-1.0	-60.38	346.33	4.70	-55.68
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019647390	0	41	-1.0	-59.09	351.30	5.36	-53.73
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019647390	1	41	-1.0	-59.01	351.37	5.35	-53.66
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647391	0	40	-1.0	-52.00	332.51	4.42	-47.58
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647391	1	40	-1.0	-51.94	332.58	4.41	-47.53
CC1(C)CCCC(O)(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019647392	0	43	-1.0	-53.21	331.41	3.55	-49.66
CC1(C)CCCC(O)(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019647392	1	43	-1.0	-53.25	331.48	3.54	-49.71
COC(=O)N1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019647393	0	41	-1.0	-59.69	339.93	3.80	-55.89
COC(=O)N1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019647393	1	41	-1.0	-59.68	340.00	3.79	-55.89
O=C(CCC1=CC=CN=C1Cl)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647394	0	35	-1.0	-54.55	320.02	4.90	-49.65
O=C(CCC1=CC=CN=C1Cl)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647394	1	35	-1.0	-54.57	319.95	4.91	-49.66
CC(C)(C)OC(=O)N1CCCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019647395	0	53	-1.0	-51.37	409.90	6.95	-44.42
CC(C)(C)OC(=O)N1CCCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019647395	1	53	-1.0	-51.30	409.95	6.94	-44.36
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NN=C1SCC1=CC=CC=C1	REAL300019647396	0	42	-1.0	-59.17	376.76	7.08	-52.09
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NN=C1SCC1=CC=CC=C1	REAL300019647396	1	42	-1.0	-59.23	376.69	7.08	-52.15
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647397	0	53	-1.0	-54.80	430.15	3.44	-51.36
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647397	1	53	-1.0	-54.74	430.21	3.43	-51.31
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019647398	0	49	-1.0	-56.06	415.75	1.83	-54.23
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019647398	1	49	-1.0	-56.09	415.68	1.85	-54.24
CN1C(=O)CO[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)[C@H]1C1=CC=CN=C1	REAL300019647399	0	44	-1.0	-54.05	363.79	4.02	-50.03
CN1C(=O)CO[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)[C@H]1C1=CC=CN=C1	REAL300019647399	1	44	-1.0	-54.07	363.72	4.04	-50.03
COC(C)(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300019647400	0	45	-1.0	-57.15	364.71	5.58	-51.57
COC(C)(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300019647400	1	45	-1.0	-57.13	364.77	5.58	-51.55
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1(C)C	REAL300019647401	0	48	-1.0	-50.56	377.19	7.38	-43.18
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1(C)C	REAL300019647401	1	48	-1.0	-50.52	377.25	7.37	-43.15
CC(C)(C)OC(=O)C(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCC1	REAL300019647402	0	51	-1.0	-60.05	399.84	8.51	-51.54
CC(C)(C)OC(=O)C(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC1	REAL300019647402	1	51	-1.0	-59.98	399.86	8.52	-51.46
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019647403	0	37	-1.0	-61.12	346.67	1.91	-59.21
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647403	1	37	-1.0	-51.96	347.02	1.89	-50.07
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019647404	0	40	-1.0	-54.67	351.98	6.59	-48.08
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019647404	1	40	-1.0	-54.60	352.04	6.58	-48.02
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Br)=CNC1=O	REAL300019647405	0	30	-1.0	-49.92	288.33	2.71	-47.21
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Br)=CNC1=O	REAL300019647405	1	30	-1.0	-49.92	288.39	2.70	-47.22
COCC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL300019647406	0	43	-1.0	-52.63	334.10	5.16	-47.47
COCC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL300019647406	1	43	-1.0	-52.66	334.17	5.15	-47.51
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C2CCCCCN12	REAL300019647407	0	40	-1.0	-43.30	322.45	5.30	-38.00
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C2CCCCCN12	REAL300019647407	1	40	-1.0	-43.27	322.52	5.29	-37.98
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300019647408	0	39	-1.0	-54.40	344.07	7.55	-46.85
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300019647408	1	39	-1.0	-54.38	344.14	7.55	-46.83
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019647409	0	36	-1.0	-64.56	331.59	1.20	-63.36
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647409	1	36	-1.0	-64.55	331.65	1.19	-63.36
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CSC=C2S1	REAL300019647410	0	30	-1.0	-53.27	296.69	5.26	-48.01
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CSC=C2S1	REAL300019647410	1	30	-1.0	-53.25	296.76	5.26	-47.99
CC1=CC=CC=C1CC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647411	0	42	-1.0	-52.84	343.94	7.33	-45.51
CC1=CC=CC=C1CC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647411	1	42	-1.0	-52.81	344.02	7.32	-45.49
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)OC(C(F)F)=C1	REAL300019647412	0	33	-1.0	-50.32	303.42	4.70	-45.62
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)OC(C(F)F)=C1	REAL300019647412	1	33	-1.0	-50.25	303.77	4.69	-45.56
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1C2CC3=C(Cl)C=CC=C3C21	REAL300019647413	0	38	-1.0	-58.80	333.68	7.85	-50.95
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1C2CC3=C(Cl)C=CC=C3C21	REAL300019647413	1	38	-1.0	-58.71	333.73	7.84	-50.87
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300019647414	0	37	-1.0	-58.61	348.53	7.79	-50.82
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300019647414	1	37	-1.0	-58.60	348.60	7.79	-50.81
CC1=CC=C2OC=C(CC(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C2=C1	REAL300019647415	0	39	-1.0	-46.63	340.48	6.60	-40.03
CC1=CC=C2OC=C(CC(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C2=C1	REAL300019647415	1	39	-1.0	-46.61	340.54	6.59	-40.02
COC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1	REAL300019647416	0	37	-1.0	-58.86	329.89	5.70	-53.16
COC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1	REAL300019647416	1	37	-1.0	-58.80	329.96	5.69	-53.11
CCCC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1	REAL300019647417	0	42	-1.0	-41.19	364.68	8.06	-33.13
CCCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1	REAL300019647417	1	42	-1.0	-41.15	364.74	8.06	-33.09
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C(C)N1C1=NN(C)C=C1	REAL300019647418	0	44	-1.0	-62.74	374.24	7.24	-55.50
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C(C)N1C1=NN(C)C=C1	REAL300019647418	1	44	-1.0	-62.78	374.15	7.25	-55.53
CC(C)C1=NC=CN1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647419	0	39	-1.0	-62.09	333.47	5.47	-56.62
CC(C)C1=NC=CN1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647419	1	39	-1.0	-62.02	333.54	5.46	-56.56
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647419	1	40	0.0	-64.70	332.20	6.05	-58.65
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647420	0	50	-1.0	-44.70	397.41	3.20	-41.50
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647420	1	50	-1.0	-44.69	397.46	3.19	-41.50
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CN(C2CCOC2)C1	REAL300019647421	0	40	-1.0	-52.64	329.14	0.71	-51.93
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1C[NH+](C2CCOC2)C1	REAL300019647421	1	41	0.0	-68.69	332.22	3.50	-65.19
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CN(C2CCOC2)C1	REAL300019647421	1	40	-1.0	-52.61	329.21	0.70	-51.91
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647422	0	40	-1.0	-58.66	347.11	7.96	-50.70
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647422	1	40	-1.0	-58.68	347.18	7.95	-50.73
COC1=CC=C([C@]2(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C[C@H](O)C2)C=C1	REAL300019647423	0	45	-1.0	-42.52	375.27	3.07	-39.45
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O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300019647471	0	38	-1.0	-55.82	340.64	6.07	-49.75
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300019647471	1	38	-1.0	-55.78	340.71	6.06	-49.72
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300019647472	0	34	-1.0	-50.30	328.44	5.25	-45.05
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300019647472	1	34	-1.0	-50.28	328.51	5.24	-45.04
COC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1Br	REAL300019647473	0	34	-1.0	-41.53	316.14	4.87	-36.66
COC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1Br	REAL300019647473	1	34	-1.0	-41.51	316.20	4.87	-36.64
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1C2CC3=CC=CC=C3C21	REAL300019647474	0	38	-1.0	-56.17	317.39	7.35	-48.82
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1C2CC3=CC=CC=C3C21	REAL300019647474	1	38	-1.0	-56.14	317.46	7.34	-48.80
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1OC(F)(F)F	REAL300019647475	0	37	-1.0	-40.44	332.21	5.45	-34.99
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1OC(F)(F)F	REAL300019647475	1	37	-1.0	-40.41	332.27	5.45	-34.96
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1COC2=CC(F)=CC=C2C1	REAL300019647476	0	38	-1.0	-52.13	327.39	5.50	-46.63
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1COC2=CC(F)=CC=C2C1	REAL300019647476	1	38	-1.0	-52.07	327.46	5.50	-46.57
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C(S(C)(=O)=O)O1	REAL300019647477	0	36	-1.0	-60.28	331.21	1.29	-58.99
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C(S(C)(=O)=O)O1	REAL300019647477	1	36	-1.0	-60.24	331.27	1.28	-58.96
CC1=CC=CC=C1COC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647478	0	43	-1.0	-60.16	360.57	7.31	-52.85
CC1=CC=CC=C1COC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647478	1	43	-1.0	-60.15	360.64	7.30	-52.85
CSC1=CC(C)=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019647479	0	34	-1.0	-50.60	311.85	4.77	-45.83
CSC1=CC(C)=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647479	1	34	-1.0	-50.62	311.91	4.76	-45.86
COC(=O)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC2(CCC2)C1	REAL300019647480	0	43	-1.0	-53.19	354.61	6.42	-46.77
COC(=O)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC2(CCC2)C1	REAL300019647480	1	43	-1.0	-53.15	354.66	6.41	-46.74
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300019647481	0	39	-1.0	-52.32	327.84	5.75	-46.57
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300019647481	1	39	-1.0	-52.31	327.91	5.74	-46.57
CC(C)C1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647482	0	39	-1.0	-56.02	326.44	6.81	-49.21
CC(C)C1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647482	1	39	-1.0	-55.96	326.50	6.80	-49.16
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC(C(F)(F)F)=C1	REAL300019647483	0	30	-1.0	-55.58	298.42	5.01	-50.57
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC(C(F)(F)F)=C1	REAL300019647483	1	30	-1.0	-55.57	298.49	5.00	-50.57
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019647484	0	43	-1.0	-54.63	352.04	7.96	-46.67
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019647484	1	43	-1.0	-54.58	352.10	7.95	-46.63
COCCCN1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019647485	0	40	-1.0	-55.56	348.33	3.34	-52.22
COCCCN1C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019647485	1	40	-1.0	-55.58	348.27	3.35	-52.23
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NN1C1CCOCC1	REAL300019647486	0	44	-1.0	-56.26	366.09	4.21	-52.05
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NN1C1CCOCC1	REAL300019647486	1	44	-1.0	-56.25	366.15	4.20	-52.05
CN1C=C(N2CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)CC2=O)C=N1	REAL300019647487	0	41	-1.0	-66.82	350.84	3.74	-63.08
CN1C=C(N2CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)CC2=O)C=N1	REAL300019647487	1	41	-1.0	-66.84	350.78	3.74	-63.10
CC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NC=C1	REAL300019647488	0	38	-1.0	-54.00	321.31	5.06	-48.94
CC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NC=C1	REAL300019647488	1	38	-1.0	-53.96	321.37	5.06	-48.90
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2C=CSC2=CN=C1	REAL300019647489	0	32	-1.0	-54.01	294.50	4.42	-49.59
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2C=CSC2=CN=C1	REAL300019647489	1	32	-1.0	-54.08	294.44	4.43	-49.65
CCOC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCOCC1	REAL300019647490	0	41	-1.0	-39.80	326.66	2.34	-37.46
CCOC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCOCC1	REAL300019647490	1	41	-1.0	-39.82	326.73	2.33	-37.49
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647491	0	37	-1.0	-60.30	349.25	7.03	-53.27
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647491	1	37	-1.0	-60.26	349.31	7.02	-53.24
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019647492	0	39	-1.0	-60.66	343.95	5.31	-55.35
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019647492	1	39	-1.0	-60.73	343.88	5.32	-55.41
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300019647493	0	36	-1.0	-52.30	344.19	7.31	-44.99
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300019647493	1	36	-1.0	-52.25	344.25	7.29	-44.96
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Br)N=C2COCCN21	REAL300019647494	0	35	-1.0	-43.06	317.28	3.20	-39.86
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Br)N=C2COCCN21	REAL300019647494	1	35	-1.0	-43.04	317.34	3.19	-39.85
CC1=CC=CC=C1COCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647495	0	40	-1.0	-61.08	341.80	6.57	-54.51
CC1=CC=CC=C1COCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647495	1	40	-1.0	-61.02	341.86	6.56	-54.46
CC1=CC=CC(COCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647496	0	40	-1.0	-59.82	347.04	6.55	-53.27
CC1=CC=CC(COCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647496	1	40	-1.0	-59.79	347.10	6.54	-53.25
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2SC=CC2=CC=N1	REAL300019647497	0	32	-1.0	-56.12	298.38	4.53	-51.59
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2SC=CC2=CC=N1	REAL300019647497	1	32	-1.0	-56.17	298.31	4.54	-51.63
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300019647498	0	41	-1.0	-55.22	357.92	5.96	-49.26
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300019647498	1	41	-1.0	-55.16	357.98	5.95	-49.21
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019647499	0	39	-1.0	-69.06	323.34	3.69	-65.37
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019647499	1	39	-1.0	-68.98	323.41	3.68	-65.30
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019647500	0	36	-2.0	-97.58	335.46	0.99	-96.59
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019647500	1	36	-2.0	-97.65	335.39	1.00	-96.65
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019647500	1	37	-1.0	-59.34	335.53	1.13	-58.21
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019647500	1	37	-1.0	-59.40	335.46	1.14	-58.26
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647501	0	33	-1.0	-64.74	306.43	3.84	-60.90
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647501	1	33	-1.0	-64.73	306.49	3.83	-60.90
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=CC(=O)NC=C21	REAL300019647502	0	36	-1.0	-46.35	312.34	4.14	-42.21
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=CC(=O)NC=C21	REAL300019647502	1	36	-1.0	-46.36	312.41	4.14	-42.22
CC1=CN2C=CN=C2C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647503	0	36	-1.0	-56.84	313.27	6.65	-50.19
CC1=CN2C=CN=C2C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647503	1	36	-1.0	-56.84	313.20	6.66	-50.18
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(SC(F)(F)F)N=C1	REAL300019647504	0	33	-1.0	-51.35	321.47	5.13	-46.22
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(SC(F)(F)F)N=C1	REAL300019647504	1	33	-1.0	-51.41	321.40	5.14	-46.27
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NC(N2CCOCC2)=N1	REAL300019647505	0	41	-1.0	-50.98	347.33	3.35	-47.63
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NC(N2CCOCC2)=N1	REAL300019647505	1	41	-1.0	-51.03	347.26	3.36	-47.67
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019647506	0	47	-1.0	-55.38	383.45	3.71	-51.67
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019647506	1	47	-1.0	-55.32	383.51	3.70	-51.62
CC1=CC=C(COCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019647507	0	40	-1.0	-59.80	347.04	6.56	-53.24
CC1=CC=C(COCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019647507	1	40	-1.0	-59.78	347.10	6.55	-53.23
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=C(C=C1Br)OCO2	REAL300019647508	0	33	-1.0	-53.18	308.53	4.21	-48.97
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=C(C=C1Br)OCO2	REAL300019647508	1	33	-1.0	-53.10	308.59	4.20	-48.90
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(C(F)F)=CC=C1F	REAL300019647509	0	33	-1.0	-57.94	303.23	5.84	-52.10
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(C(F)F)=CC=C1F	REAL300019647509	1	33	-1.0	-57.90	303.29	5.83	-52.07
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019647510	0	44	-1.0	-55.84	364.23	5.76	-50.08
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019647510	1	44	-1.0	-55.76	364.30	5.74	-50.02
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019647511	0	37	-1.0	-59.35	333.99	6.00	-53.35
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019647511	1	37	-1.0	-59.40	333.93	6.01	-53.39
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019647512	0	32	-1.0	-54.35	313.26	4.91	-49.44
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019647512	1	32	-1.0	-54.40	313.20	4.91	-49.49
COC1=CC(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC(OC)=C1O	REAL300019647513	0	45	-1.0	-56.40	381.76	3.40	-53.00
COC1=CC(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC(OC)=C1O	REAL300019647513	1	45	-1.0	-56.41	381.83	3.39	-53.02
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647514	0	40	-1.0	-54.21	348.64	4.83	-49.38
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647514	1	40	-1.0	-54.22	348.70	4.82	-49.40
COC1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300019647515	0	37	-1.0	-56.87	310.09	4.97	-51.90
COC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300019647515	1	37	-1.0	-56.77	310.16	4.97	-51.80
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300019647516	0	46	-1.0	-43.85	388.15	8.47	-35.38
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300019647516	1	46	-1.0	-43.88	388.19	8.46	-35.42
CCC1=CNC(=O)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647517	0	36	-1.0	-53.61	311.49	3.53	-50.08
CCC1=CNC(=O)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647517	1	36	-1.0	-53.59	311.55	3.52	-50.07
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(O)CC1=CC=CC=C1	REAL300019647518	0	37	-1.0	-53.61	322.61	4.20	-49.41
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(O)CC1=CC=CC=C1	REAL300019647518	1	37	-1.0	-53.57	322.67	4.19	-49.38
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647519	0	55	0.0	-83.57	433.07	9.84	-73.73
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647519	1	55	0.0	-82.67	432.99	9.83	-72.84
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647519	1	55	0.0	-83.58	433.01	9.85	-73.73
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647519	1	55	0.0	-82.74	432.93	9.82	-72.92
CN1N=CC(Cl)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647520	0	30	-1.0	-41.85	283.30	3.28	-38.57
CN1N=CC(Cl)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647520	1	30	-1.0	-41.44	279.75	3.32	-38.12
CC1=CC(F)=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300019647521	0	33	-1.0	-57.17	303.92	5.54	-51.63
CC1=CC(F)=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300019647521	1	33	-1.0	-57.12	303.98	5.53	-51.59
CC1=CC(C)=CC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647522	0	39	-1.0	-55.68	333.70	6.91	-48.77
CC1=CC(C)=CC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647522	1	39	-1.0	-55.69	333.76	6.90	-48.79
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O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(N2CCCC2)=C1	REAL300019647524	0	42	-1.0	-56.22	344.35	5.38	-50.84
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(N2CCCC2)=C1	REAL300019647524	1	42	-1.0	-56.21	344.41	5.37	-50.84
COC1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1OC(C)C	REAL300019647525	0	44	-1.0	-60.28	360.35	6.73	-53.55
COC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1OC(C)C	REAL300019647525	1	44	-1.0	-60.29	360.41	6.73	-53.56
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2C=CC=C(Br)N2N=C1	REAL300019647526	0	33	-1.0	-56.07	315.27	5.13	-50.94
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2C=CC=C(Br)N2N=C1	REAL300019647526	1	33	-1.0	-56.07	315.20	5.13	-50.94
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019647527	0	40	-1.0	-56.80	359.26	5.25	-51.55
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019647527	1	40	-1.0	-56.80	359.20	5.26	-51.54
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019647528	0	41	-1.0	-60.39	351.25	5.36	-55.03
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019647528	1	41	-1.0	-60.38	351.31	5.35	-55.03
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019647529	0	41	-1.0	-56.14	352.46	5.39	-50.75
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019647529	1	41	-1.0	-56.13	352.39	5.40	-50.73
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2CC(=O)NC2=NC=C1	REAL300019647530	0	34	-1.0	-57.43	302.21	2.55	-54.88
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2CC(=O)NC2=NC=C1	REAL300019647530	1	34	-1.0	-57.40	302.28	2.55	-54.85
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019647531	0	36	-1.0	-63.51	334.32	6.40	-57.11
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019647531	1	36	-1.0	-63.48	334.26	6.41	-57.07
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300019647532	0	51	-1.0	-56.84	405.69	6.02	-50.82
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300019647532	1	51	-1.0	-56.85	405.75	6.01	-50.84
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019647533	0	37	-1.0	-52.56	341.27	5.10	-47.46
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647533	1	37	-1.0	-52.54	341.33	5.10	-47.44
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019647534	0	46	-1.0	-54.03	377.14	8.41	-45.62
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019647534	1	46	-1.0	-54.02	377.20	8.40	-45.62
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019647535	0	30	-1.0	-55.89	297.88	5.29	-50.60
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019647535	1	30	-1.0	-55.84	297.95	5.28	-50.56
CCN1N=CC(Cl)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647536	0	33	-1.0	-40.68	297.66	4.52	-36.16
CCN1N=CC(Cl)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647536	1	33	-1.0	-40.69	297.59	4.53	-36.16
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019647537	0	36	-1.0	-49.55	325.28	4.32	-45.23
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647537	1	36	-1.0	-49.52	325.34	4.31	-45.21
COC(=O)C1=CN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1	REAL300019647538	0	36	-1.0	-64.95	328.21	3.70	-61.25
COC(=O)C1=CN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=C1	REAL300019647538	1	36	-1.0	-64.95	328.14	3.70	-61.25
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647539	0	55	-1.0	-52.59	429.09	5.18	-47.41
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647539	1	55	-1.0	-52.55	429.16	5.17	-47.38
C[C@@H](CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)NC(=O)OC(C)(C)C	REAL300019647540	0	46	-1.0	-63.42	377.01	3.63	-59.79
C[C@@H](CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)NC(=O)OC(C)(C)C	REAL300019647540	1	46	-1.0	-63.38	377.07	3.62	-59.76
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019647541	0	48	-1.0	-56.93	392.85	4.33	-52.60
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019647541	1	48	-1.0	-56.89	392.91	4.33	-52.56
CN1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C2=CC=CO2)=N1	REAL300019647542	0	37	-1.0	-64.69	330.25	5.34	-59.35
CN1C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(C2=CC=CO2)=N1	REAL300019647542	1	37	-1.0	-64.76	330.19	5.33	-59.43
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019647543	0	35	-1.0	-55.43	323.33	1.18	-54.25
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647543	1	35	-1.0	-55.45	323.39	1.17	-54.28
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)OC(S(N)(=O)=O)=C1	REAL300019647544	0	35	-1.0	-54.37	324.97	-1.41	-55.78
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)OC(S(N)(=O)=O)=C1	REAL300019647544	1	35	-1.0	-55.56	325.32	-1.43	-56.99
CSC1=CC=C(O)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647545	0	35	-1.0	-55.79	315.51	4.35	-51.44
CSC1=CC=C(O)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647545	1	35	-1.0	-55.76	315.58	4.34	-51.42
CCCCC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(C)C	REAL300019647546	0	44	-1.0	-53.96	344.72	6.83	-47.13
CCCCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(C)C	REAL300019647546	1	44	-1.0	-53.87	344.78	6.83	-47.04
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647547	0	48	-1.0	-63.58	386.27	6.57	-57.01
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647547	1	48	-1.0	-63.51	386.34	6.57	-56.94
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647548	0	40	-1.0	-65.92	351.93	6.14	-59.78
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019647548	1	40	-1.0	-65.97	351.86	6.15	-59.82
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019647549	0	49	-1.0	-54.66	361.05	8.92	-45.74
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019647549	1	49	-1.0	-54.61	361.11	8.91	-45.70
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019647550	0	34	-1.0	-51.87	314.42	3.32	-48.55
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019647550	1	34	-1.0	-51.87	314.50	3.31	-48.56
CC1=CC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C(C)N1C1=CC=CC=C1	REAL300019647551	0	47	-1.0	-59.79	397.36	9.56	-50.23
CC1=CC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C(C)N1C1=CC=CC=C1	REAL300019647551	1	47	-1.0	-59.74	397.42	9.56	-50.18
CC1=CC=CC(N2C=NC3=CC(C(=O)NC4=CC=CC(C5=NN=N[N-]5)=C4)=CC=C32)=C1	REAL300019647552	0	46	-1.0	-61.81	394.58	10.19	-51.62
CC1=CC=CC(N2C=NC3=CC(C(=O)NC4=CC=CC(C5=N[N-]N=N5)=C4)=CC=C32)=C1	REAL300019647552	1	46	-1.0	-61.79	394.53	10.19	-51.60
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=C21	REAL300019647553	0	38	-1.0	-50.27	343.35	4.35	-45.92
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=C21	REAL300019647553	1	38	-1.0	-50.30	343.28	4.36	-45.94
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC2=CC(F)=CC=C21	REAL300019647554	0	37	-1.0	-52.83	318.70	6.72	-46.11
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2=CC(F)=CC=C21	REAL300019647554	1	37	-1.0	-52.79	318.76	6.71	-46.08
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL300019647555	0	43	-1.0	-54.96	357.24	8.14	-46.82
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL300019647555	1	43	-1.0	-54.91	357.30	8.13	-46.78
CCOCCN1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019647556	0	40	-1.0	-53.94	348.69	3.53	-50.41
CCOCCN1C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019647556	1	40	-1.0	-54.02	348.62	3.54	-50.48
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300019647557	0	41	-1.0	-43.61	357.92	6.25	-37.36
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300019647557	1	41	-1.0	-43.56	357.98	6.24	-37.32
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(C(F)(F)F)SC=C1	REAL300019647558	0	30	-1.0	-59.46	291.36	5.00	-54.46
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(C(F)(F)F)SC=C1	REAL300019647558	1	30	-1.0	-59.44	291.43	4.99	-54.45
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647559	0	44	-1.0	-53.39	359.61	4.59	-48.80
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647559	1	44	-1.0	-53.36	359.63	4.58	-48.78
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647560	0	49	-1.0	-53.75	392.09	1.77	-51.98
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647560	1	49	-1.0	-53.66	392.15	1.76	-51.90
CN1N=C(Cl)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL300019647561	0	30	-1.0	-53.21	306.21	3.38	-49.83
CN1N=C(Cl)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL300019647561	1	30	-1.0	-53.25	306.14	3.39	-49.86
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCC1CC1=CC=CC=C1	REAL300019647562	0	46	-1.0	-55.04	367.95	8.54	-46.50
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC1CC1=CC=CC=C1	REAL300019647562	1	46	-1.0	-55.00	368.01	8.54	-46.46
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019647563	0	43	-1.0	-54.33	370.22	7.25	-47.08
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019647563	1	43	-1.0	-54.37	370.15	7.26	-47.11
CN1C=C(Cl)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019647564	0	30	-1.0	-56.90	287.05	3.22	-53.68
CN1C=C(Cl)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019647564	1	30	-1.0	-56.93	286.98	3.23	-53.70
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(C2CCCC2)CCNC1=O	REAL300019647565	0	44	-1.0	-48.37	340.50	3.00	-45.37
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(C2CCCC2)CCNC1=O	REAL300019647565	1	44	-1.0	-48.37	340.57	2.99	-45.38
CCOC1=CC=CC(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647566	0	41	-1.0	-57.14	352.38	6.31	-50.83
CCOC1=CC=CC(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647566	1	41	-1.0	-57.32	352.16	6.30	-51.02
COC1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019647567	0	38	-1.0	-55.56	330.46	5.39	-50.17
COC1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019647567	1	38	-1.0	-55.55	330.53	5.38	-50.17
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647568	0	33	-1.0	-55.51	313.75	6.13	-49.38
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647568	1	33	-1.0	-55.46	313.82	6.12	-49.34
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)SC=C1	REAL300019647569	0	27	-1.0	-56.36	271.28	4.43	-51.93
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)SC=C1	REAL300019647569	1	27	-1.0	-56.35	271.35	4.42	-51.93
CC1(C)CC1(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019647570	0	43	-1.0	-42.69	352.30	7.66	-35.03
CC1(C)CC1(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019647570	1	43	-1.0	-42.70	352.37	7.66	-35.04
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647571	0	37	-1.0	-55.44	343.61	5.77	-49.67
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647571	1	37	-1.0	-55.41	343.68	5.76	-49.65
CC(=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CS1	REAL300019647572	0	34	-1.0	-51.15	309.43	5.97	-45.18
CC(=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CS1	REAL300019647572	1	34	-1.0	-51.15	309.49	5.96	-45.19
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC=C1C(F)(F)F	REAL300019647573	0	30	-1.0	-61.02	291.04	4.89	-56.13
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1C(F)(F)F	REAL300019647573	1	30	-1.0	-60.99	291.11	4.89	-56.10
CCCC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1	REAL300019647574	0	42	-1.0	-54.47	365.27	8.01	-46.46
CCCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1	REAL300019647574	1	42	-1.0	-54.37	365.34	8.00	-46.37
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647575	0	47	-1.0	-54.48	388.94	4.65	-49.83
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647575	1	47	-1.0	-54.45	389.00	4.64	-49.81
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647576	0	40	-1.0	-58.11	353.38	4.33	-53.78
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647576	1	40	-1.0	-58.16	353.31	4.34	-53.82
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019647577	0	36	-1.0	-62.03	328.99	1.43	-60.60
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019647577	1	36	-1.0	-61.96	329.05	1.42	-60.54
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCCC1	REAL300019647578	0	54	-1.0	-52.51	396.70	8.43	-44.08
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCCC1	REAL300019647578	1	54	-1.0	-52.52	396.76	8.42	-44.10
CCOCCOCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647579	0	43	-1.0	-60.03	363.38	3.63	-56.40
CCOCCOCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647579	1	43	-1.0	-59.97	363.44	3.62	-56.35
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647580	0	38	-1.0	-58.05	344.87	3.95	-54.10
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647580	1	38	-1.0	-58.05	344.93	3.95	-54.10
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019647581	0	39	-1.0	-58.25	355.17	5.26	-52.99
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019647581	1	39	-1.0	-58.22	355.23	5.25	-52.97
COC1=CC=CC(C(OC)C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647582	0	41	-1.0	-56.74	352.66	4.91	-51.83
COC1=CC=CC(C(OC)C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647582	1	41	-1.0	-56.70	352.73	4.90	-51.80
COCCOCCOCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647583	0	47	-1.0	-61.19	397.00	2.99	-58.20
COCCOCCOCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647583	1	47	-1.0	-61.18	397.06	2.99	-58.19
COC1=CC2=CC=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C2C=C1OC	REAL300019647584	0	44	-1.0	-58.49	370.98	6.40	-52.09
COC1=CC2=CC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C2C=C1OC	REAL300019647584	1	44	-1.0	-58.43	371.05	6.39	-52.04
CSC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C(C)O1	REAL300019647585	0	34	-1.0	-50.94	312.36	4.91	-46.03
CSC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C(C)O1	REAL300019647585	1	34	-1.0	-50.91	312.42	4.90	-46.01
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647586	0	42	-1.0	-71.61	340.03	3.60	-68.01
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647586	1	42	-1.0	-71.63	339.97	3.62	-68.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019647587	0	43	-2.0	-126.41	368.81	5.92	-120.49
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019647587	1	43	-2.0	-126.38	368.87	5.91	-120.47
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019647588	0	37	-1.0	-62.07	326.74	1.03	-61.04
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019647588	1	37	-1.0	-62.09	326.82	1.03	-61.06
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C(N2C=CC=C2)S1	REAL300019647589	0	38	-1.0	-57.55	340.71	7.76	-49.79
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C(N2C=CC=C2)S1	REAL300019647589	1	38	-1.0	-57.51	340.77	7.75	-49.76
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019647590	0	33	-2.0	-86.39	309.47	1.55	-84.84
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019647590	1	33	-2.0	-86.33	309.53	1.54	-84.79
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019647590	1	33	-2.0	-86.39	309.41	1.54	-84.85
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019647590	1	33	-2.0	-86.38	309.47	1.53	-84.85
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647591	0	42	-1.0	-68.27	376.32	4.52	-63.75
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647591	1	42	-1.0	-68.28	376.26	4.53	-63.75
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647592	0	36	-1.0	-51.51	352.34	2.50	-49.01
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647592	1	36	-1.0	-51.55	352.28	2.52	-49.03
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NNC=C1C(F)(F)F	REAL300019647593	0	30	-1.0	-58.79	285.67	2.42	-56.37
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NNC=C1C(F)(F)F	REAL300019647593	1	30	-1.0	-58.77	285.74	2.42	-56.35
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647594	0	36	-1.0	-62.14	318.23	5.25	-56.89
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647594	1	36	-1.0	-62.13	318.29	5.24	-56.89
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647595	0	36	-2.0	-106.47	324.90	0.09	-106.38
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647595	1	36	-2.0	-106.46	324.97	0.08	-106.38
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C2)=N1	REAL300019647596	0	42	-1.0	-58.61	359.36	5.91	-52.70
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C2)=N1	REAL300019647596	1	42	-1.0	-58.67	359.29	5.90	-52.77
CC1=NOC(C2(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)CC2)=C1	REAL300019647597	0	36	-1.0	-41.84	319.95	5.04	-36.80
CC1=NOC(C2(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)CC2)=C1	REAL300019647597	1	36	-1.0	-41.84	320.02	5.04	-36.80
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647598	0	44	-1.0	-56.85	355.91	4.06	-52.79
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647598	1	44	-1.0	-56.79	355.97	4.05	-52.74
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC2CCC[N@@H+]21	REAL300019647599	0	43	0.0	-60.50	331.05	6.12	-54.38
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC2CCC[N@H+]21	REAL300019647599	1	43	0.0	-65.54	322.93	5.85	-59.69
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(C)(C)C1(C)C	REAL300019647600	0	54	-1.0	-57.62	412.42	8.24	-49.38
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C)(C)C1(C)C	REAL300019647600	1	54	-1.0	-57.61	412.49	8.23	-49.38
CC1CN(C)CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019647601	0	39	-1.0	-56.76	322.73	2.00	-54.76
CC1CN(C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647601	1	39	-1.0	-56.76	322.80	2.00	-54.76
CC1C[N@H+](C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647601	1	40	0.0	-83.81	325.68	4.40	-79.41
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647601	1	40	0.0	-88.72	318.15	3.97	-84.75
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300019647602	0	41	-1.0	-53.65	351.92	3.15	-50.50
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300019647602	1	41	-1.0	-53.57	351.99	3.13	-50.44
CN1C=NC2=CN=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=C21	REAL300019647603	0	35	-1.0	-52.53	304.13	4.28	-48.25
CN1C=NC2=CN=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=C21	REAL300019647603	1	35	-1.0	-52.53	304.06	4.29	-48.24
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647604	0	42	0.0	-76.17	330.32	5.65	-70.52
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647604	1	42	0.0	-70.21	328.12	5.34	-64.87
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647604	1	42	0.0	-76.13	330.38	5.65	-70.48
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647604	1	42	0.0	-70.25	328.19	5.33	-64.92
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCN1C1=NC=CC=N1	REAL300019647605	0	40	-1.0	-45.37	327.15	3.30	-42.07
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCN1C1=NC=CC=N1	REAL300019647605	1	40	-1.0	-45.40	327.08	3.31	-42.09
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(I)=NN1	REAL300019647606	0	30	-1.0	-54.53	299.68	2.74	-51.79
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(I)=NN1	REAL300019647606	1	30	-1.0	-54.54	299.75	2.73	-51.81
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019647607	0	39	-1.0	-60.55	337.53	6.04	-54.51
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019647607	1	39	-1.0	-60.52	337.60	6.03	-54.49
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647608	0	38	-1.0	-56.33	335.78	0.96	-55.37
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647608	1	38	-1.0	-56.30	335.85	0.95	-55.35
CC(C)N1C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(C2CCOCC2)=N1	REAL300019647609	0	50	-1.0	-57.81	403.89	5.44	-52.37
CC(C)N1C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C2CCOCC2)=N1	REAL300019647609	1	50	-1.0	-57.77	403.96	5.43	-52.34
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(CCO)N=C1C1CCOCC1	REAL300019647610	0	48	-1.0	-58.48	396.66	1.56	-56.92
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(CCO)N=C1C1CCOCC1	REAL300019647610	1	48	-1.0	-58.43	396.72	1.55	-56.88
CC(=O)NC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL300019647611	0	36	-1.0	-58.72	319.29	3.46	-55.26
CC(=O)NC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL300019647611	1	36	-1.0	-58.76	319.22	3.47	-55.29
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647612	0	50	-1.0	-53.53	392.75	7.48	-46.05
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CC1=CC=CC=C1NC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=CS1	REAL300019647637	0	41	-1.0	-53.75	358.38	5.41	-48.34
CC1=CC=CC=C1NC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=CS1	REAL300019647637	1	41	-1.0	-53.78	358.32	5.43	-48.35
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CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)=NO2	REAL300019647643	0	49	-1.0	-51.63	410.34	3.62	-48.01
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)=NO2	REAL300019647643	1	49	-1.0	-51.58	410.41	3.61	-47.97
CN1N=C(I)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647644	0	30	-1.0	-53.19	293.46	3.72	-49.47
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CC(C)(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C#N)C=C1	REAL300019647645	0	40	-1.0	-56.31	342.67	6.87	-49.44
CC(C)(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C#N)C=C1	REAL300019647645	1	40	-1.0	-56.29	342.73	6.86	-49.43
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019647646	0	53	-1.0	-58.80	417.50	4.95	-53.85
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019647646	1	53	-1.0	-58.75	417.55	4.94	-53.81
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CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650231	0	38	-1.0	-50.40	328.63	6.95	-43.45
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650231	1	38	-1.0	-50.36	328.68	6.94	-43.42
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COCCN1C=CC2=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300019650233	0	44	-1.0	-58.42	375.79	6.60	-51.82
COCCN1C=CC2=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300019650233	1	44	-1.0	-58.37	375.84	6.61	-51.76
CC(C)N1C=CC2=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300019650234	0	43	-1.0	-58.85	360.14	8.02	-50.83
CC(C)N1C=CC2=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300019650234	1	43	-1.0	-58.81	360.21	8.01	-50.80
O=C(C=CC1=CC=C2OCOC2=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650235	0	37	-1.0	-57.89	326.81	4.77	-53.12
O=C(C=CC1=CC=C2OCOC2=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650235	1	37	-1.0	-57.85	326.87	4.76	-53.09
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CC1(C)COCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650237	0	40	-1.0	-52.97	311.02	3.76	-49.21
CC1(C)COCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650237	1	40	-1.0	-52.95	311.09	3.75	-49.20
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C=CCOCC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(C)(C)C	REAL300019650239	0	46	-1.0	-51.43	363.73	6.26	-45.17
C=CCOCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(C)(C)C	REAL300019650239	1	46	-1.0	-51.39	363.80	6.25	-45.14
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)C2	REAL300019650240	0	42	-1.0	-59.45	351.33	1.16	-58.29
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)C2	REAL300019650240	1	42	-1.0	-59.41	351.40	1.15	-58.26
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650241	0	33	-1.0	-43.40	303.92	3.34	-40.06
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650241	1	33	-1.0	-43.43	303.80	3.34	-40.09
CC1=NN(C2CCC2)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650242	0	40	-1.0	-40.65	333.30	5.57	-35.08
CC1=NN(C2CCC2)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650242	1	40	-1.0	-40.64	333.35	5.55	-35.09
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COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650244	0	41	-1.0	-55.67	363.05	6.84	-48.83
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650244	1	41	-1.0	-55.66	363.11	6.83	-48.83
CC1(C)CCCOC1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650245	0	43	-1.0	-56.82	334.86	5.23	-51.59
CC1(C)CCCOC1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650245	1	43	-1.0	-56.79	334.92	5.22	-51.57
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650246	0	36	-1.0	-49.36	340.76	3.92	-45.44
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650246	1	36	-1.0	-49.36	340.82	3.91	-45.45
O=C(C=CC1=CC=C(Cl)C=C1F)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650247	0	34	-1.0	-57.71	323.00	6.65	-51.06
O=C(C=CC1=CC=C(Cl)C=C1F)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650247	1	34	-1.0	-57.69	323.06	6.64	-51.05
CC(=O)NC(COC(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650248	0	43	-1.0	-59.70	358.68	2.82	-56.88
CC(=O)NC(COC(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650248	1	43	-1.0	-59.62	358.74	2.81	-56.81
CC1(C)OCC(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019650249	0	41	-1.0	-54.17	342.49	3.74	-50.43
CC1(C)OCC(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019650249	1	41	-1.0	-54.12	342.55	3.73	-50.39
CCCCOC1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019650250	0	47	-1.0	-54.88	395.31	7.90	-46.98
CCCCOC1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019650250	1	47	-1.0	-54.86	395.38	7.89	-46.97
COC1=CC2=CC=C(CC(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C2C=C1	REAL300019650251	0	43	-1.0	-59.25	366.35	7.13	-52.12
COC1=CC2=CC=C(CC(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C2C=C1	REAL300019650251	1	43	-1.0	-59.17	366.41	7.13	-52.04
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650252	0	48	-1.0	-40.56	382.38	8.67	-31.89
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650252	1	48	-1.0	-40.56	382.47	8.66	-31.90
COC1=CC=C(Br)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300019650253	0	37	-1.0	-54.78	337.95	5.18	-49.60
COC1=CC=C(Br)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300019650253	1	37	-1.0	-54.76	338.01	5.16	-49.60
COC1=NC=C(Cl)C(C)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650254	0	36	-1.0	-53.69	331.04	2.51	-51.18
COC1=NC=C(Cl)C(C)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650254	1	36	-1.0	-53.69	331.11	2.50	-51.19
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650255	0	40	-1.0	-71.37	358.67	4.22	-67.15
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650255	1	40	-1.0	-71.32	358.73	4.21	-67.11
CC12CCC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(CC1)OC2	REAL300019650256	0	41	-1.0	-52.26	325.34	4.40	-47.86
CC12CCC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(CC1)OC2	REAL300019650256	1	41	-1.0	-52.22	325.41	4.39	-47.83
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2C=COC2=C1	REAL300019650257	1	33	-1.0	-58.48	293.77	5.23	-53.25
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=C(Br)C(F)=C1	REAL300019650258	1	30	-1.0	-50.45	299.27	5.58	-44.87
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300019650259	1	36	-1.0	-56.81	328.72	5.55	-51.26
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NC=C(F)C2=CC=CC=C21	REAL300019650260	0	35	-1.0	-49.73	310.46	5.48	-44.25
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NC=C(F)C2=CC=CC=C21	REAL300019650260	1	35	-1.0	-49.79	310.39	5.49	-44.30
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019650261	0	39	-1.0	-56.87	351.37	4.95	-51.92
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019650261	1	39	-1.0	-56.83	351.43	4.94	-51.89
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650262	0	36	-1.0	-52.70	307.97	3.25	-49.45
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650262	1	36	-1.0	-52.66	308.04	3.24	-49.42
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650263	0	39	-1.0	-55.45	346.66	7.05	-48.40
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650263	1	39	-1.0	-55.42	346.73	7.04	-48.38
CC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C(F)=C1	REAL300019650264	0	39	-1.0	-43.83	338.71	6.92	-36.91
CC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C(F)=C1	REAL300019650264	1	39	-1.0	-43.88	338.77	6.92	-36.96
CC(C)(C)N1C=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019650265	0	42	-1.0	-58.27	353.98	5.37	-52.90
CC(C)(C)N1C=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019650265	1	42	-1.0	-58.32	353.92	5.38	-52.94
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019650266	0	37	-1.0	-61.27	329.61	5.03	-56.24
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019650266	1	37	-1.0	-61.22	329.68	5.02	-56.20
CC1=CC=C(C2(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)CC2)C(F)=C1	REAL300019650267	0	40	-1.0	-43.47	345.81	7.50	-35.97
CC1=CC=C(C2(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)CC2)C(F)=C1	REAL300019650267	1	40	-1.0	-43.41	345.87	7.50	-35.91
CCCC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=NN1CC	REAL300019650268	0	41	-1.0	-51.00	348.68	4.11	-46.89
CCCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=NN1CC	REAL300019650268	1	41	-1.0	-50.94	348.74	4.10	-46.84
CCC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)SC(C2=NNC=N2)=N1	REAL300019650269	0	38	-1.0	-58.15	348.88	4.24	-53.91
CCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)SC(C2=NNC=N2)=N1	REAL300019650269	1	38	-1.0	-58.10	348.95	4.23	-53.87
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300019650270	0	49	-1.0	-54.65	391.12	7.21	-47.44
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300019650270	1	49	-1.0	-54.58	391.19	7.20	-47.38
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300019650271	0	38	-2.0	-98.77	361.73	4.54	-94.23
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300019650271	1	38	-2.0	-98.79	361.66	4.54	-94.25
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2N=CNC2=CC(Br)=C1	REAL300019650272	1	33	-1.0	-62.91	312.77	5.31	-57.60
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2NC=NC2=CC(Br)=C1	REAL300019650272	1	33	-1.0	-51.58	311.24	5.31	-46.27
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2NC=NC2=CC(Br)=C1	REAL300019650272	1	33	-1.0	-51.58	311.30	5.30	-46.28
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019650273	0	40	-1.0	-63.82	344.22	5.93	-57.89
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019650273	1	40	-1.0	-63.91	344.15	5.94	-57.97
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650274	0	42	-1.0	-55.80	364.45	3.31	-52.49
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650274	1	42	-1.0	-55.75	364.51	3.30	-52.45
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019650275	0	43	-1.0	-64.12	377.92	7.53	-56.59
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019650275	1	43	-1.0	-64.16	377.86	7.54	-56.62
CC1=NNC2=C1CC(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)CC2	REAL300019650276	0	40	-1.0	-58.12	330.99	4.20	-53.92
CC1=NNC2=C1CC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)CC2	REAL300019650276	1	40	-1.0	-58.09	331.05	4.20	-53.89
CC1=C2CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)CCC2=NN1	REAL300019650276	1	40	-1.0	-55.23	330.54	4.20	-51.03
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650277	0	41	-1.0	-59.67	350.71	4.77	-54.90
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650277	1	41	-1.0	-59.61	350.78	4.76	-54.85
CSC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300019650278	0	36	-1.0	-43.00	330.01	6.46	-36.54
CSC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300019650278	1	36	-1.0	-42.97	330.07	6.45	-36.52
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650279	0	40	-1.0	-63.42	342.34	6.57	-56.85
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650279	1	40	-1.0	-63.35	342.40	6.57	-56.78
C=C1CCC1(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)OC	REAL300019650280	0	37	-1.0	-53.72	320.78	5.10	-48.62
C=C1CCC1(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)OC	REAL300019650280	1	37	-1.0	-53.69	320.85	5.09	-48.60
NS(=O)(=O)C1=COC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650281	0	32	-1.0	-60.42	307.20	-2.21	-62.63
NS(=O)(=O)C1=COC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650281	1	32	-1.0	-60.37	307.26	-2.22	-62.59
N#CC1=CC2=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=NN2C=C1	REAL300019650282	0	34	-1.0	-60.70	315.05	5.03	-55.67
N#CC1=CC2=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=NN2C=C1	REAL300019650282	1	34	-1.0	-60.68	314.98	5.04	-55.64
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019650283	0	40	-1.0	-56.47	351.88	5.99	-50.48
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019650283	1	40	-1.0	-56.43	351.94	5.98	-50.45
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650284	0	44	-1.0	-65.85	369.54	3.74	-62.11
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650284	1	44	-1.0	-65.80	369.60	3.73	-62.07
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019650285	0	34	-1.0	-50.09	321.58	4.25	-45.84
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019650285	1	34	-1.0	-50.05	321.64	4.24	-45.81
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN2N=NC=C2C=C1	REAL300019650286	0	32	-1.0	-61.47	288.41	3.38	-58.09
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN2N=NC=C2C=C1	REAL300019650286	1	32	-1.0	-61.49	288.34	3.39	-58.10
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)[C@H](C)O1	REAL300019650287	0	41	-1.0	-54.89	344.34	2.85	-52.04
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)[C@H](C)O1	REAL300019650287	1	41	-1.0	-54.80	344.40	2.85	-51.95
O=C(CCC1=C(Br)C=CS1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650288	0	33	-1.0	-53.16	322.24	6.01	-47.15
O=C(CCC1=C(Br)C=CS1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650288	1	33	-1.0	-53.12	322.30	6.00	-47.12
O=C(CCNC1=CN=CN=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650289	0	36	-1.0	-58.31	315.86	2.55	-55.76
O=C(CCNC1=CN=CN=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650289	1	36	-1.0	-58.36	315.79	2.56	-55.80
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650290	0	36	-1.0	-62.91	334.23	5.71	-57.20
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650290	1	36	-1.0	-62.84	334.29	5.70	-57.14
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650290	1	36	-1.0	-59.81	334.07	5.70	-54.11
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650290	1	36	-1.0	-59.75	334.13	5.69	-54.06
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019650291	0	51	-1.0	-61.63	401.69	7.79	-53.84
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019650291	1	51	-1.0	-61.58	401.76	7.78	-53.80
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650292	0	39	-1.0	-55.22	348.02	5.59	-49.63
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650292	1	39	-1.0	-55.29	347.96	5.59	-49.70
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650293	0	37	-1.0	-55.93	342.93	5.56	-50.37
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650293	1	37	-1.0	-55.99	342.87	5.57	-50.42
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCC(F)(F)CC1	REAL300019650294	0	39	-1.0	-44.83	311.88	5.68	-39.15
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC(F)(F)CC1	REAL300019650294	1	39	-1.0	-44.80	311.94	5.67	-39.13
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650295	0	37	-1.0	-57.49	319.44	4.02	-53.47
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650295	1	37	-1.0	-57.41	319.50	4.01	-53.40
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019650296	0	38	-1.0	-70.76	339.18	6.28	-64.48
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019650296	1	38	-1.0	-70.68	339.24	6.27	-64.41
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019650297	0	37	-1.0	-56.76	327.73	7.14	-49.62
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019650297	1	37	-1.0	-56.68	327.79	7.13	-49.55
O=C(CCCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)NC1=CC=CC=C1	REAL300019650298	0	49	-1.0	-66.05	410.79	6.97	-59.08
O=C(CCCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)NC1=CC=CC=C1	REAL300019650298	1	49	-1.0	-66.00	410.82	6.97	-59.03
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC2=CC=NN2C1	REAL300019650299	0	37	-1.0	-54.23	311.47	4.15	-50.08
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2=CC=NN2C1	REAL300019650299	1	37	-1.0	-54.22	311.53	4.15	-50.07
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2C=NSC2=CC=C1	REAL300019650300	0	32	-1.0	-59.75	294.24	4.94	-54.81
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2C=NSC2=CC=C1	REAL300019650300	1	32	-1.0	-59.79	294.18	4.95	-54.84
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=NON=C21	REAL300019650301	0	31	-1.0	-67.93	282.86	3.74	-64.19
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=NON=C21	REAL300019650301	1	31	-1.0	-67.93	282.80	3.75	-64.18
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300019650302	0	36	-1.0	-64.15	339.71	2.94	-61.21
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300019650302	1	36	-1.0	-64.09	339.77	2.93	-61.16
NC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C(F)C(Br)=C1F	REAL300019650303	0	32	-1.0	-47.77	308.69	3.85	-43.92
NC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C(F)C(Br)=C1F	REAL300019650303	1	32	-1.0	-47.79	308.75	3.84	-43.95
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC(C2CC2)=NO1	REAL300019650304	0	38	-1.0	-49.64	326.88	4.46	-45.18
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC(C2CC2)=NO1	REAL300019650304	1	38	-1.0	-49.61	326.94	4.46	-45.15
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NO1	REAL300019650305	0	46	-1.0	-51.73	393.67	2.79	-48.94
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NO1	REAL300019650305	1	46	-1.0	-51.73	393.73	2.78	-48.95
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300019650306	0	35	-1.0	-49.82	323.87	5.15	-44.67
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300019650306	1	35	-1.0	-49.77	323.94	5.14	-44.63
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019650307	0	37	-1.0	-44.21	332.42	6.90	-37.31
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019650307	1	37	-1.0	-44.16	332.50	6.89	-37.27
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C2C=C1	REAL300019650308	0	44	-1.0	-56.79	364.62	7.57	-49.22
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C2C=C1	REAL300019650308	1	44	-1.0	-56.74	364.69	7.57	-49.17
COC1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CN(C(=O)OC(C)(C)C)C1	REAL300019650309	0	51	-1.0	-66.84	413.08	4.48	-62.36
COC1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CN(C(=O)OC(C)(C)C)C1	REAL300019650309	1	51	-1.0	-66.82	413.14	4.47	-62.35
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(CC2=NNN=C2)CCCC1	REAL300019650310	0	42	-1.0	-45.86	341.31	3.82	-42.04
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(CC2=NNN=C2)CCCC1	REAL300019650310	1	42	-1.0	-45.79	341.36	3.82	-41.97
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650311	0	51	-1.0	-55.52	400.39	7.05	-48.47
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650311	1	51	-1.0	-55.58	400.33	7.06	-48.52
C#CC1=CC=C(C2CC2C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019650312	0	39	-1.0	-59.37	338.05	8.05	-51.32
C#CC1=CC=C(C2CC2C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019650312	1	39	-1.0	-59.36	338.11	8.04	-51.32
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C2=CC=CC=C2C=N1	REAL300019650313	0	38	-1.0	-56.76	330.08	5.70	-51.06
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C2=CC=CC=C2C=N1	REAL300019650313	1	38	-1.0	-56.75	330.14	5.69	-51.06
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(C2CCC2)CC1(F)F	REAL300019650314	0	37	-1.0	-52.76	310.44	6.14	-46.62
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(C2CCC2)CC1(F)F	REAL300019650314	1	37	-1.0	-52.72	310.51	6.13	-46.59
CN1N=CC2=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C(C3CC3)N=C21	REAL300019650315	0	42	-1.0	-56.70	357.92	6.01	-50.69
CN1N=CC2=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C(C3CC3)N=C21	REAL300019650315	1	42	-1.0	-56.69	357.98	6.00	-50.69
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019650316	0	40	-1.0	-55.74	339.23	6.28	-49.46
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019650316	1	40	-1.0	-55.66	339.29	6.27	-49.39
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650317	0	50	-1.0	-65.30	398.15	4.07	-61.23
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650317	1	50	-1.0	-65.22	398.22	4.06	-61.16
COC1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(OC)=C1OC	REAL300019650318	0	46	-1.0	-61.06	394.69	5.39	-55.67
COC1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(OC)=C1OC	REAL300019650318	1	46	-1.0	-61.04	394.76	5.38	-55.66
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650319	0	46	-1.0	-61.88	377.95	4.60	-57.28
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650319	1	46	-1.0	-61.85	378.00	4.59	-57.26
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)(C2CC2)C1	REAL300019650320	0	54	-1.0	-51.58	418.98	6.97	-44.61
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)(C2CC2)C1	REAL300019650320	1	54	-1.0	-51.56	419.05	6.97	-44.59
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2C(=O)NCCN2N=C1	REAL300019650321	0	35	-1.0	-68.20	305.64	1.53	-66.67
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2C(=O)NCCN2N=C1	REAL300019650321	1	35	-1.0	-68.24	305.57	1.54	-66.70
CC=CC1=CC=C(OCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(OC)=C1	REAL300019650322	0	45	-1.0	-63.61	382.08	7.11	-56.50
CC=CC1=CC=C(OCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(OC)=C1	REAL300019650322	1	45	-1.0	-63.60	382.14	7.11	-56.49
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC(=O)CC12CCC2	REAL300019650323	0	39	-1.0	-48.79	321.56	5.27	-43.52
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC(=O)CC12CCC2	REAL300019650323	1	39	-1.0	-48.78	321.62	5.26	-43.52
CC1=CNC2=NC=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C12	REAL300019650324	0	36	-1.0	-57.30	314.53	4.85	-52.45
CC1=CNC2=NC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C12	REAL300019650324	1	36	-1.0	-57.26	314.60	4.84	-52.42
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650325	0	54	-1.0	-58.10	411.74	6.22	-51.88
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650325	1	54	-1.0	-58.02	411.81	6.21	-51.81
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019650326	0	37	-1.0	-59.16	327.89	3.60	-55.56
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019650326	1	37	-1.0	-59.10	327.95	3.60	-55.50
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O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019650327	1	47	-1.0	-58.99	371.94	7.38	-51.61
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C2)O1	REAL300019650328	0	41	-1.0	-59.77	361.16	2.29	-57.48
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C2)O1	REAL300019650328	1	41	-1.0	-59.70	361.23	2.28	-57.42
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC2=CC=CN=C2C1	REAL300019650329	0	36	-1.0	-59.52	308.16	4.87	-54.65
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC2=CC=CN=C2C1	REAL300019650329	1	36	-1.0	-59.54	308.23	4.87	-54.67
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019650330	0	36	-1.0	-60.34	330.73	7.69	-52.65
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019650330	1	36	-1.0	-60.25	330.80	7.68	-52.57
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019650331	0	42	-1.0	-58.07	362.04	8.67	-49.40
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019650331	1	42	-1.0	-58.02	362.11	8.67	-49.35
CC1=CC2=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CN=C2C(F)=C1	REAL300019650332	0	38	-1.0	-53.72	335.50	6.00	-47.72
CC1=CC2=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CN=C2C(F)=C1	REAL300019650332	1	38	-1.0	-53.79	335.43	6.00	-47.79
CN1C=C(C2=NC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CO2)C=N1	REAL300019650333	0	36	-1.0	-53.92	330.46	1.03	-52.89
CN1C=C(C2=NC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CO2)C=N1	REAL300019650333	1	36	-1.0	-53.95	330.40	1.05	-52.90
COC1=C2C=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)NC2=C(C)C=C1	REAL300019650334	0	41	-1.0	-57.52	351.00	4.79	-52.73
COC1=C2C=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)NC2=C(C)C=C1	REAL300019650334	1	41	-1.0	-57.44	351.06	4.77	-52.67
CCCCOC1=CC=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019650335	0	46	-1.0	-56.20	385.51	7.38	-48.82
CCCCOC1=CC=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019650335	1	46	-1.0	-56.18	385.57	7.37	-48.81
COC1=NC2=CC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C2C=C1	REAL300019650336	0	39	-1.0	-54.71	339.55	3.79	-50.92
COC1=NC2=CC=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C2C=C1	REAL300019650336	1	39	-1.0	-54.77	339.49	3.80	-50.97
CC1=CN2C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CN=C2S1	REAL300019650337	0	33	-1.0	-42.07	302.16	5.33	-36.74
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019650338	0	40	-1.0	-51.98	363.45	5.66	-46.32
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019650338	1	40	-1.0	-51.94	363.52	5.66	-46.28
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=C(Cl)S1	REAL300019650339	0	27	-1.0	-50.27	291.70	5.00	-45.27
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=C(Cl)S1	REAL300019650339	1	27	-1.0	-50.25	291.77	4.99	-45.26
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650340	0	41	-1.0	-53.33	340.61	5.50	-47.83
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650340	1	41	-1.0	-53.35	340.54	5.51	-47.84
COC1CC2(C1)CCC(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)CC2	REAL300019650341	0	47	-1.0	-55.47	369.38	5.74	-49.73
COC1CC2(C1)CCC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)CC2	REAL300019650341	1	47	-1.0	-55.42	369.45	5.73	-49.69
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650342	0	48	-1.0	-56.11	389.38	9.18	-46.93
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650342	1	48	-1.0	-56.04	389.44	9.17	-46.87
CCC(C)(C)C1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019650343	0	51	-1.0	-41.94	368.61	7.48	-34.46
CCC(C)(C)C1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019650343	1	51	-1.0	-41.88	368.67	7.47	-34.41
CC1=CC2=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CN=C2C=C1	REAL300019650344	0	38	-1.0	-54.34	328.99	5.93	-48.41
CC1=CC2=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CN=C2C=C1	REAL300019650344	1	38	-1.0	-54.35	328.93	5.94	-48.41
CN1C=C(C2=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=NO2)N=N1	REAL300019650345	0	35	-1.0	-58.68	324.09	2.50	-56.18
CN1C=C(C2=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=NO2)N=N1	REAL300019650345	1	35	-1.0	-58.62	324.16	2.49	-56.13
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1COC2COCC21	REAL300019650346	0	36	-1.0	-53.52	299.11	1.23	-52.29
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1COC2COCC21	REAL300019650346	1	36	-1.0	-53.49	299.17	1.22	-52.27
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC2(CC(=O)C2)CC1	REAL300019650347	0	42	-1.0	-55.93	339.44	5.89	-50.04
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2(CC(=O)C2)CC1	REAL300019650347	1	42	-1.0	-55.97	339.50	5.88	-50.09
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300019650348	0	37	-1.0	-64.60	322.21	4.67	-59.93
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300019650348	1	37	-1.0	-64.57	322.27	4.66	-59.91
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650349	0	45	-1.0	-55.67	366.43	8.67	-47.00
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650349	1	45	-1.0	-55.65	366.49	8.67	-46.98
COC1(C(F)(F)C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019650350	0	40	-1.0	-51.40	324.15	4.93	-46.47
COC1(C(F)(F)C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019650350	1	40	-1.0	-51.38	324.21	4.92	-46.46
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650351	0	44	-1.0	-54.23	365.99	6.48	-47.75
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650351	1	44	-1.0	-54.19	366.06	6.47	-47.72
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC12CCC(F)(F)CC2	REAL300019650352	0	40	-1.0	-54.26	332.82	6.52	-47.74
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC12CCC(F)(F)CC2	REAL300019650352	1	40	-1.0	-54.25	332.89	6.51	-47.74
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1Br	REAL300019650353	0	32	-1.0	-50.43	303.50	4.24	-46.19
CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=C1Br	REAL300019650353	1	32	-1.0	-50.45	303.44	4.25	-46.20
CN(C)C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300019650354	0	40	-1.0	-54.63	346.94	6.15	-48.48
CN(C)C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300019650354	1	40	-1.0	-54.64	347.01	6.15	-48.49
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019650355	0	34	-1.0	-53.16	314.65	4.75	-48.41
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019650355	1	34	-1.0	-53.17	314.59	4.76	-48.41
COC(=O)C1=CSC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650356	0	33	-1.0	-60.57	314.59	4.56	-56.01
COC(=O)C1=CSC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650356	1	33	-1.0	-60.55	314.65	4.55	-56.00
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650357	0	41	-1.0	-53.03	338.09	5.39	-47.64
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650357	1	41	-1.0	-53.06	338.03	5.40	-47.66
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019650358	0	38	-1.0	-52.71	353.81	6.99	-45.72
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019650358	1	38	-1.0	-52.67	353.87	6.98	-45.69
N#CC1=CC=C(C2=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)N=CO2)C=C1	REAL300019650359	0	37	-1.0	-54.07	343.29	3.69	-50.38
N#CC1=CC=C(C2=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)N=CO2)C=C1	REAL300019650359	1	37	-1.0	-54.10	343.22	3.70	-50.40
COC1CC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1(C)C	REAL300019650360	0	43	-1.0	-57.86	347.20	4.79	-53.07
COC1CC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1(C)C	REAL300019650360	1	43	-1.0	-57.83	347.26	4.78	-53.05
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650361	0	54	-1.0	-66.45	426.85	7.55	-58.90
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650361	1	54	-1.0	-66.52	426.92	7.53	-58.99
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019650362	0	40	-1.0	-51.82	358.05	6.95	-44.87
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019650362	1	40	-1.0	-51.83	358.11	6.94	-44.89
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650363	0	50	-1.0	-41.31	410.64	4.52	-36.79
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650363	1	50	-1.0	-41.29	410.68	4.50	-36.79
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=NN21	REAL300019650364	0	44	-1.0	-64.80	364.49	6.32	-58.48
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=NN21	REAL300019650364	1	44	-1.0	-64.84	364.42	6.33	-58.51
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CCCN1C(=O)CCCC2	REAL300019650365	0	44	-1.0	-49.83	338.36	5.28	-44.55
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CCCN1C(=O)CCCC2	REAL300019650365	1	44	-1.0	-49.81	338.43	5.27	-44.54
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019650366	0	40	-1.0	-42.53	351.16	7.54	-34.99
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019650366	1	40	-1.0	-42.55	351.23	7.54	-35.01
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC2(CC2(F)F)C1	REAL300019650367	0	37	-1.0	-57.17	319.85	5.97	-51.20
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2(CC2(F)F)C1	REAL300019650367	1	37	-1.0	-57.11	319.92	5.96	-51.15
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCC2C1C2(F)F	REAL300019650368	0	37	-1.0	-58.77	308.54	5.78	-52.99
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC2C1C2(F)F	REAL300019650368	1	37	-1.0	-58.74	308.61	5.77	-52.97
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650369	0	41	-1.0	-60.95	341.58	6.17	-54.78
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650369	1	41	-1.0	-60.92	341.64	6.16	-54.76
O=C(CCC1=CC=CC(Br)=C1F)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650370	0	36	-1.0	-56.51	338.61	7.01	-49.50
O=C(CCC1=CC=CC(Br)=C1F)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650370	1	36	-1.0	-56.46	338.67	7.00	-49.46
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650371	0	48	-1.0	-51.88	343.36	7.13	-44.75
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650371	1	48	-1.0	-51.87	343.45	7.12	-44.75
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C[C@@H]12	REAL300019650372	0	48	-1.0	-54.30	396.09	4.35	-49.95
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C[C@@H]12	REAL300019650372	1	48	-1.0	-54.25	396.16	4.35	-49.90
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(C(F)F)=NN1C	REAL300019650373	0	36	-1.0	-57.48	325.84	3.80	-53.68
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C(F)F)=NN1C	REAL300019650373	1	36	-1.0	-57.46	325.91	3.79	-53.67
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650374	0	41	-1.0	-70.89	340.98	3.74	-67.15
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650374	1	41	-1.0	-70.88	341.03	3.75	-67.13
CCC1=CC=C(C(=O)C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300019650375	0	35	-1.0	-47.72	322.02	5.37	-42.35
CCC1=CC=C(C(=O)C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300019650375	1	35	-1.0	-47.70	322.08	5.36	-42.34
COC1=CC(Br)=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300019650376	0	34	-1.0	-52.67	318.11	4.91	-47.76
COC1=CC(Br)=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300019650376	1	34	-1.0	-52.62	318.18	4.91	-47.71
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650377	0	48	-1.0	-47.36	393.36	4.56	-42.80
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650377	1	48	-1.0	-47.40	393.45	4.55	-42.85
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650378	0	51	-1.0	-59.92	413.15	6.37	-53.55
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650378	1	51	-1.0	-59.90	413.22	6.36	-53.54
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NNC(C2CCCC2)=C1	REAL300019650379	0	40	-1.0	-52.62	334.92	4.57	-48.05
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NNC(C2CCCC2)=C1	REAL300019650379	1	40	-1.0	-52.62	334.98	4.56	-48.06
CC1(C)OC2=CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C2NC1=O	REAL300019650380	0	42	-1.0	-58.69	356.87	3.46	-55.23
CC1(C)OC2=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C2NC1=O	REAL300019650380	1	42	-1.0	-58.63	356.93	3.45	-55.18
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300019650381	0	38	-1.0	-56.96	320.58	4.06	-52.90
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300019650381	1	38	-1.0	-56.93	320.65	4.05	-52.88
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300019650382	0	38	-1.0	-55.58	339.62	3.82	-51.76
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300019650382	1	38	-1.0	-55.55	339.68	3.82	-51.73
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=CC=C12	REAL300019650383	0	42	-1.0	-54.89	357.36	7.63	-47.26
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=CC=C12	REAL300019650383	1	42	-1.0	-54.90	357.43	7.62	-47.28
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CC2=C1CCNC2=O	REAL300019650384	0	37	-1.0	-52.05	315.88	1.55	-50.50
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CC2=C1CCNC2=O	REAL300019650384	1	37	-1.0	-51.99	315.95	1.55	-50.44
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NC=C1C(F)F	REAL300019650385	0	35	-1.0	-53.68	313.74	4.59	-49.09
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NC=C1C(F)F	REAL300019650385	1	35	-1.0	-53.63	313.81	4.58	-49.05
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=C(CCCNC2=O)S1	REAL300019650386	0	38	-1.0	-62.68	336.08	3.17	-59.51
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=C(CCCNC2=O)S1	REAL300019650386	1	38	-1.0	-64.05	335.87	3.17	-60.88
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650387	0	39	-1.0	-63.78	331.90	2.84	-60.94
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650387	1	39	-1.0	-63.77	331.84	2.86	-60.91
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC2C1C2(F)F	REAL300019650388	0	34	-1.0	-55.59	296.42	5.30	-50.29
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2C1C2(F)F	REAL300019650388	1	34	-1.0	-55.53	296.49	5.29	-50.24
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019650389	0	34	-1.0	-52.81	321.21	4.09	-48.72
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019650389	1	34	-1.0	-52.85	321.15	4.10	-48.75
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650390	0	50	-1.0	-54.94	409.88	2.68	-52.26
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650390	1	50	-1.0	-54.89	409.94	2.67	-52.22
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019650391	0	53	-1.0	-67.64	415.08	6.10	-61.54
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019650391	1	53	-1.0	-67.64	415.14	6.09	-61.55
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019650392	0	50	-1.0	-53.83	401.29	4.16	-49.67
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019650392	1	50	-1.0	-53.80	401.35	4.15	-49.65
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019650393	0	51	-1.0	-55.95	414.99	5.06	-50.89
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019650393	1	51	-1.0	-55.90	415.05	5.05	-50.85
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650394	0	41	-1.0	-63.93	345.74	5.73	-58.20
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650394	1	41	-1.0	-63.89	345.81	5.73	-58.16
CC1=C(Cl)C=NN1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650395	0	33	-1.0	-61.02	309.48	3.96	-57.06
CC1=C(Cl)C=NN1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650395	1	33	-1.0	-61.01	309.54	3.95	-57.06
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C12CCC2	REAL300019650396	0	54	-1.0	-46.29	416.42	6.03	-40.26
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C12CCC2	REAL300019650396	1	54	-1.0	-46.27	416.48	6.02	-40.25
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650397	0	44	-1.0	-66.43	370.92	3.71	-62.72
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650397	1	44	-1.0	-66.41	370.99	3.69	-62.72
CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1S(=O)(=O)N(C)C	REAL300019650398	0	44	-1.0	-50.04	368.21	3.37	-46.67
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1S(=O)(=O)N(C)C	REAL300019650398	1	44	-1.0	-50.04	368.29	3.38	-46.66
CCC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N2C=C(C)SC2=N1	REAL300019650399	0	39	-1.0	-43.37	343.15	6.64	-36.73
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCC(C2CCCO2)O1	REAL300019650400	0	42	-1.0	-62.92	343.15	4.51	-58.41
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC(C2CCCO2)O1	REAL300019650400	1	42	-1.0	-62.93	343.21	4.50	-58.43
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650401	0	51	-1.0	-50.73	400.40	6.78	-43.95
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650401	1	51	-1.0	-50.69	400.46	6.77	-43.92
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019650402	0	33	-1.0	-58.64	317.58	6.31	-52.33
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019650402	1	33	-1.0	-58.64	317.64	6.30	-52.34
CC1=CC(F)=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300019650403	0	35	-1.0	-54.13	315.23	6.15	-47.98
CC1=CC(F)=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300019650403	1	35	-1.0	-54.05	315.29	6.15	-47.90
CN1N=NC2=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=CC=C21	REAL300019650404	0	35	-1.0	-74.29	309.38	3.52	-70.77
CN1N=NC2=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=CC=C21	REAL300019650404	1	35	-1.0	-74.31	309.32	3.53	-70.78
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C2OCCCC2=C1	REAL300019650405	0	37	-1.0	-54.51	315.36	2.41	-52.10
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C2OCCCC2=C1	REAL300019650405	1	37	-1.0	-54.56	315.29	2.42	-52.14
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019650406	0	35	-1.0	-49.72	320.43	4.14	-45.58
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019650406	1	35	-1.0	-49.65	320.49	4.14	-45.51
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(F)(F)CCC1=CC=CC=C1	REAL300019650407	0	39	-1.0	-48.84	344.12	7.30	-41.54
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(F)(F)CCC1=CC=CC=C1	REAL300019650407	1	39	-1.0	-48.79	344.18	7.30	-41.49
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)S2)S1	REAL300019650408	0	33	-1.0	-53.34	317.38	6.21	-47.13
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)S2)S1	REAL300019650408	1	33	-1.0	-53.32	317.45	6.21	-47.11
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC=CC2=CC=CC=C21	REAL300019650409	0	38	-1.0	-57.19	322.37	7.12	-50.07
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC=CC2=CC=CC=C21	REAL300019650409	1	38	-1.0	-57.15	322.44	7.11	-50.04
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650410	0	41	-1.0	-59.21	362.04	1.06	-58.15
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650410	1	41	-1.0	-59.20	362.10	1.04	-58.16
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019650411	0	36	-1.0	-50.79	344.36	7.32	-43.47
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019650411	1	36	-1.0	-50.75	344.43	7.31	-43.44
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN2C=NN=C2C=N1	REAL300019650412	0	31	-1.0	-51.89	284.42	4.47	-47.42
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN2C=NN=C2C=N1	REAL300019650412	1	31	-1.0	-51.90	284.36	4.48	-47.42
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650413	0	43	-1.0	-43.92	372.15	8.34	-35.58
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650413	1	43	-1.0	-43.94	372.21	8.33	-35.61
CON(CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300019650414	0	47	-1.0	-56.21	389.82	4.97	-51.24
CON(CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300019650414	1	47	-1.0	-56.20	389.87	4.96	-51.24
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=NNN=C2C(Br)=C1	REAL300019650415	0	32	-1.0	-53.01	307.65	2.76	-50.25
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=NNN=C2C(Br)=C1	REAL300019650415	1	32	-1.0	-52.99	307.72	2.75	-50.24
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650416	0	43	-1.0	-52.12	366.99	3.50	-48.62
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650416	1	43	-1.0	-52.05	367.05	3.49	-48.56
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=NC=CC=C12	REAL300019650417	0	35	-1.0	-56.48	302.44	5.25	-51.23
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=NC=CC=C12	REAL300019650417	1	35	-1.0	-56.53	302.38	5.25	-51.28
COC(=O)C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C(F)C=N1	REAL300019650418	0	35	-1.0	-53.98	322.15	3.82	-50.16
COC(=O)C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C(F)C=N1	REAL300019650418	1	35	-1.0	-53.98	322.09	3.83	-50.15
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019650419	0	38	-1.0	-61.42	322.88	6.28	-55.14
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019650419	1	38	-1.0	-61.38	322.94	6.27	-55.11
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2SC=CC2=CN=C1	REAL300019650420	0	32	-1.0	-56.62	296.31	4.49	-52.13
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2SC=CC2=CN=C1	REAL300019650420	1	32	-1.0	-56.65	296.24	4.50	-52.15
CC(C)C(C)C(C)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650421	0	44	-1.0	-40.83	336.38	6.11	-34.72
CC(C)C(C)C(C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650421	1	44	-1.0	-40.81	336.43	6.10	-34.71
COC1CC2(C1)CC(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)C2	REAL300019650422	0	41	-1.0	-53.24	340.19	4.70	-48.54
COC1CC2(C1)CC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)C2	REAL300019650422	1	41	-1.0	-53.18	340.25	4.69	-48.49
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650423	0	46	-1.0	-57.23	382.28	7.07	-50.16
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650423	1	46	-1.0	-57.24	382.34	7.06	-50.18
CC1(C)CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CO1	REAL300019650424	0	40	-1.0	-51.86	317.89	3.91	-47.95
CC1(C)CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CO1	REAL300019650424	1	40	-1.0	-51.83	317.96	3.90	-47.93
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019650425	0	37	-1.0	-54.45	347.82	7.69	-46.76
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019650425	1	37	-1.0	-54.44	347.88	7.69	-46.75
O=C(CC1CCCNC(=O)C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650426	0	40	-1.0	-53.35	323.13	2.42	-50.93
O=C(CC1CCCNC(=O)C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650426	1	40	-1.0	-53.34	323.19	2.41	-50.93
CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1C(F)(F)F	REAL300019650427	0	33	-1.0	-52.50	291.62	4.83	-47.67
CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1C(F)(F)F	REAL300019650427	1	33	-1.0	-52.42	291.68	4.82	-47.60
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCCC12CCC2	REAL300019650428	0	43	-1.0	-54.89	328.00	6.87	-48.02
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCCC12CCC2	REAL300019650428	1	43	-1.0	-54.77	328.05	6.86	-47.91
CC12CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(CO1)CCC2	REAL300019650429	0	41	-1.0	-53.97	323.72	4.19	-49.78
CC12CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(CO1)CCC2	REAL300019650429	1	41	-1.0	-53.87	323.79	4.18	-49.69
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CCCC1C2(F)F	REAL300019650430	0	34	-1.0	-42.59	297.57	5.26	-37.33
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CCCC1C2(F)F	REAL300019650430	1	34	-1.0	-42.57	297.63	5.25	-37.32
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019650431	0	46	-1.0	-41.99	365.07	8.47	-33.52
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019650431	1	46	-1.0	-41.98	365.13	8.47	-33.51
O=C(CN1C=C(I)C=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650432	0	30	-1.0	-62.58	299.67	4.09	-58.49
O=C(CN1C=C(I)C=N1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650432	1	30	-1.0	-62.59	299.60	4.10	-58.49
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C2C=C(Br)C=CN12	REAL300019650433	0	33	-1.0	-42.73	313.19	5.83	-36.90
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C2C=C(Br)C=CN12	REAL300019650433	1	33	-1.0	-42.74	313.13	5.83	-36.91
CN1C=NC2=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=CC=C21	REAL300019650434	0	36	-1.0	-68.86	314.48	6.36	-62.50
CN1C=NC2=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=CC=C21	REAL300019650434	1	36	-1.0	-68.93	314.42	6.37	-62.56
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CCCCC1C2(F)F	REAL300019650435	0	37	-1.0	-51.37	308.16	5.73	-45.64
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CCCCC1C2(F)F	REAL300019650435	1	37	-1.0	-51.34	308.22	5.73	-45.61
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C=NN1C1CCCC1	REAL300019650436	0	40	-1.0	-51.89	346.51	6.30	-45.59
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C=NN1C1CCCC1	REAL300019650436	1	40	-1.0	-51.94	346.46	6.31	-45.63
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NNC(C2=CC=CC=N2)=C1	REAL300019650437	0	36	-1.0	-58.68	324.33	3.17	-55.51
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NNC(C2=CC=CC=N2)=C1	REAL300019650437	1	36	-1.0	-58.61	324.39	3.16	-55.45
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019650438	0	40	-1.0	-62.63	354.55	1.25	-61.38
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019650438	1	40	-1.0	-62.72	354.49	1.26	-61.46
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650439	0	30	-1.0	-44.21	301.16	1.22	-42.99
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650439	1	30	-1.0	-44.27	301.10	1.23	-43.04
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NC2=CC=CNC2=C1	REAL300019650440	0	33	-1.0	-69.93	296.21	3.07	-66.86
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NC2=CC=CNC2=C1	REAL300019650440	1	33	-1.0	-69.92	296.27	3.06	-66.86
COC1=C(Cl)C=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C2=NC=CC=C21	REAL300019650441	0	39	-1.0	-59.71	354.30	5.76	-53.95
COC1=C(Cl)C=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C2=NC=CC=C21	REAL300019650441	1	39	-1.0	-59.79	354.23	5.77	-54.02
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019650442	0	45	-1.0	-47.18	378.83	5.78	-41.40
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019650442	1	45	-1.0	-47.15	378.74	5.79	-41.36
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CN2N=NC=C12	REAL300019650443	0	32	-1.0	-49.85	286.84	3.39	-46.46
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CN2N=NC=C12	REAL300019650443	1	32	-1.0	-49.83	286.78	3.39	-46.44
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019650444	0	51	-1.0	-54.18	411.92	5.95	-48.23
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019650444	1	51	-1.0	-54.05	411.99	5.94	-48.11
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663202	0	43	-1.0	-45.35	374.20	6.65	-38.70
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663202	1	43	-1.0	-45.36	374.25	6.63	-38.73
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1(F)C1=CC=CC=C1	REAL300019663203	0	37	-1.0	-51.27	322.82	6.92	-44.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1(F)C1=CC=CC=C1	REAL300019663203	1	37	-1.0	-51.28	322.86	6.92	-44.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Br)N=C2CCCN21	REAL300019663204	0	34	-1.0	-51.13	311.20	4.92	-46.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Br)N=C2CCCN21	REAL300019663204	1	34	-1.0	-51.11	311.24	4.92	-46.19
CC1=CC=CC2=C1OC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300019663205	0	38	-1.0	-51.29	326.67	6.33	-44.96
CC1=CC=CC2=C1OC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300019663205	1	38	-1.0	-51.32	326.72	6.32	-45.00
CN1C=C(C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)O2)C=N1	REAL300019663206	0	37	-1.0	-47.51	335.42	4.54	-42.97
CN1C=C(C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)O2)C=N1	REAL300019663206	1	37	-1.0	-47.54	335.38	4.54	-43.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(Cl)=C1	REAL300019663207	0	29	-1.0	-44.87	278.31	3.62	-41.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(Cl)=C1	REAL300019663207	1	29	-1.0	-44.84	278.27	3.62	-41.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=NN=C(C3=CC=CC=C3)N2C1	REAL300019663208	0	46	-1.0	-52.61	380.15	8.18	-44.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=NN=C(C3=CC=CC=C3)N2C1	REAL300019663208	1	46	-1.0	-52.59	380.20	8.18	-44.41
O=C(CS(=O)(=O)C1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663209	0	33	-1.0	-60.79	303.33	1.33	-59.46
O=C(CS(=O)(=O)C1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663209	1	33	-1.0	-60.83	303.37	1.32	-59.51
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663210	0	37	-1.0	-51.21	339.83	5.97	-45.24
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663210	1	37	-1.0	-51.25	339.88	5.96	-45.29
CC(C)CC1=CNC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663211	0	40	-1.0	-47.67	335.50	5.35	-42.32
CC(C)CC1=CNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663211	1	40	-1.0	-47.67	335.82	5.33	-42.34
N#CC1=C(Br)C=CC=C1OCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663212	0	35	-1.0	-61.91	339.96	6.29	-55.62
N#CC1=C(Br)C=CC=C1OCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663212	1	35	-1.0	-61.91	340.00	6.28	-55.63
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663213	0	40	-1.0	-46.11	346.34	6.20	-39.91
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663213	1	40	-1.0	-46.15	346.30	6.20	-39.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL300019663214	0	38	-1.0	-48.98	330.06	4.07	-44.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL300019663214	1	38	-1.0	-48.98	330.10	4.06	-44.92
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663215	0	47	-1.0	-49.59	377.64	7.04	-42.55
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663215	1	47	-1.0	-49.54	377.68	7.03	-42.51
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663216	0	42	0.0	-76.77	351.05	4.80	-71.97
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663216	1	42	0.0	-76.77	351.01	4.82	-71.95
CCCC(CC(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663217	0	44	-1.0	-45.86	344.77	6.46	-39.40
CCCC(CC(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663217	1	44	-1.0	-45.74	345.02	6.45	-39.29
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663218	0	40	-1.0	-46.56	357.25	7.61	-38.95
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663218	1	40	-1.0	-46.60	357.29	7.61	-38.99
CCC(O)(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019663219	0	43	-1.0	-48.37	347.66	5.37	-43.00
CCC(O)(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019663219	1	43	-1.0	-48.38	347.69	5.38	-43.00
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=C(Cl)C=CC=C12	REAL300019663220	0	37	-1.0	-44.51	334.63	6.03	-38.48
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=C(Cl)C=CC=C12	REAL300019663220	1	37	-1.0	-44.47	334.68	6.02	-38.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CNC2=N1	REAL300019663221	0	33	-1.0	-59.63	296.45	4.19	-55.44
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CNC2=N1	REAL300019663221	1	33	-1.0	-59.58	296.49	4.18	-55.40
CC(=O)C1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019663222	0	31	-1.0	-44.01	298.21	2.77	-41.24
CC(=O)C1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019663222	1	31	-1.0	-44.00	298.25	2.76	-41.24
CN1N=CC(Br)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663223	0	30	-1.0	-44.17	293.66	3.15	-41.02
CN1N=CC(Br)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663223	1	30	-1.0	-44.12	293.66	3.16	-40.96
CC1=CC=CC(CS(=O)(=O)CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663224	0	45	-1.0	-52.93	397.54	4.73	-48.20
CC1=CC=CC(CS(=O)(=O)CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663224	1	45	-1.0	-52.93	397.58	4.73	-48.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2=CC=CC=C2)C=CN1	REAL300019663225	0	38	-1.0	-49.88	329.30	6.35	-43.53
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2=CC=CC=C2)C=CN1	REAL300019663225	1	38	-1.0	-49.92	329.35	6.35	-43.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL300019663226	0	37	-1.0	-45.51	350.95	7.89	-37.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL300019663226	1	37	-1.0	-45.46	350.71	7.89	-37.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN2CCCCC2=C1	REAL300019663227	0	37	-1.0	-47.14	313.94	4.33	-42.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN2CCCCC2=C1	REAL300019663227	1	37	-1.0	-47.17	313.98	4.32	-42.85
CCCCCCOC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663228	0	45	-1.0	-48.41	370.45	6.70	-41.71
CCCCCCOC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663228	1	45	-1.0	-48.37	370.50	6.70	-41.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1	REAL300019663229	0	47	-1.0	-50.98	403.31	7.31	-43.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1	REAL300019663229	1	47	-1.0	-50.94	403.35	7.31	-43.63
O=C(CC1CSC2=CC=CC=C2O1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663230	0	39	-1.0	-52.53	343.84	6.84	-45.69
O=C(CC1CSC2=CC=CC=C2O1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663230	1	39	-1.0	-52.55	343.88	6.83	-45.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC2=CC=NC=C2C=C1	REAL300019663231	0	34	-1.0	-45.75	304.87	3.56	-42.19
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C[C@]1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[C@@H]1C1=CC=CC=C1	REAL300019663232	0	40	-1.0	-46.26	330.85	7.34	-38.92
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CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=NN1CC1=CC=CC=C1	REAL300019663264	1	45	-1.0	-45.56	382.95	6.16	-39.40
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CC(C)(C)OC(=O)NC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1	REAL300019663268	0	50	-1.0	-44.70	393.67	5.10	-39.60
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL300019663268	1	50	-1.0	-44.63	393.72	5.10	-39.53
CC(C)=CCOC1=CC=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663269	0	47	-1.0	-50.17	394.46	7.83	-42.34
CC(C)=CCOC1=CC=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663269	1	47	-1.0	-50.19	394.50	7.81	-42.38
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COC1CCCCN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300019663279	1	44	-1.0	-50.72	351.55	4.16	-46.56
CC(C)C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)NC(=O)OC(C)(C)C	REAL300019663280	0	55	-1.0	-50.18	414.69	5.95	-44.23
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CC(C)(C)OC(=O)N1CC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019663281	0	47	-1.0	-48.85	383.38	4.78	-44.07
CC(C)(C)OC(=O)N1CC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663281	1	47	-1.0	-48.83	383.43	4.78	-44.05
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663282	0	50	-1.0	-52.90	405.35	4.50	-48.40
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663282	1	50	-1.0	-52.91	405.40	4.50	-48.41
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CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019663284	1	33	-1.0	-50.86	321.30	1.50	-49.36
CN1N=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C21	REAL300019663285	0	39	-1.0	-53.29	341.09	5.44	-47.85
CN1N=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C21	REAL300019663285	1	39	-1.0	-53.31	341.13	5.43	-47.88
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663286	0	38	-1.0	-45.00	326.24	6.78	-38.22
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663286	1	38	-1.0	-45.03	326.28	6.77	-38.26
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300019663287	0	41	-1.0	-43.92	340.26	5.46	-38.46
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300019663287	1	41	-1.0	-43.89	340.21	5.46	-38.43
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1N1C=CC=N1	REAL300019663288	0	40	-1.0	-50.45	340.48	7.02	-43.43
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1N1C=CC=N1	REAL300019663288	1	40	-1.0	-50.38	340.44	7.02	-43.36
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O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNN=C1C1CCOCC1	REAL300019663290	1	41	-1.0	-50.53	340.77	2.74	-47.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNN=C1C1CCOCC1	REAL300019663290	1	41	-1.0	-50.50	340.81	2.74	-47.76
CC1CCC(C)(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL300019663291	0	49	-1.0	-45.23	370.61	7.48	-37.75
CC1CCC(C)(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL300019663291	1	49	-1.0	-45.25	370.65	7.47	-37.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019663292	0	33	-2.0	-98.91	309.24	5.37	-93.54
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CC(=O)NC(=CC1=CC=CS1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663294	0	38	-1.0	-50.32	341.69	5.14	-45.18
CC(=O)NC(=CC1=CC=CS1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663294	1	38	-1.0	-50.33	341.73	5.13	-45.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019663295	0	35	-2.0	-94.38	323.20	2.57	-91.81
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COC(=O)C1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663296	0	35	-1.0	-49.99	318.92	3.84	-46.15
COC(=O)C1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663296	1	35	-1.0	-50.04	318.88	3.84	-46.20
CNC1=CC=C(Cl)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663297	0	35	-1.0	-48.00	314.02	4.20	-43.80
CNC1=CC=C(Cl)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663297	1	35	-1.0	-48.00	314.06	4.20	-43.80
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C[C@@](O)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019663300	0	37	-1.0	-44.79	313.93	3.11	-41.68
C[C@@](O)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019663300	1	37	-1.0	-44.79	313.97	3.10	-41.69
CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2CCOCC2)=N1	REAL300019663301	0	47	-1.0	-50.75	385.20	4.92	-45.83
CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2CCOCC2)=N1	REAL300019663301	1	47	-1.0	-50.78	385.25	4.91	-45.87
CCOC(=O)C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019663302	0	42	-1.0	-53.07	364.15	7.93	-45.14
CCOC(=O)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019663302	1	42	-1.0	-53.11	364.19	7.92	-45.19
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CC1=C(Cl)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C	REAL300019663305	1	33	-1.0	-48.71	306.25	3.66	-45.05
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CN1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1=O	REAL300019663306	1	37	-1.0	-50.08	308.79	3.10	-46.98
CCN1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1=O	REAL300019663307	0	40	-1.0	-49.22	330.54	4.12	-45.10
CCN1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1=O	REAL300019663307	1	40	-1.0	-49.22	330.59	4.11	-45.11
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CC1=CC(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(F)(F)F	REAL300019663311	0	40	-1.0	-46.76	355.35	7.60	-39.16
CC1=CC(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C(F)(F)F	REAL300019663311	1	40	-1.0	-46.77	355.39	7.59	-39.18
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CCOCN1N=C(C)C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019663314	0	46	-1.0	-53.33	388.76	3.90	-49.43
CCOCN1N=C(C)C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019663314	1	46	-1.0	-53.34	388.80	3.89	-49.45
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CC(=CC1CCC(C)CC1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663316	0	46	-1.0	-44.98	355.98	7.58	-37.40
CC(=CC1CCC(C)CC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663316	1	46	-1.0	-44.96	356.03	7.58	-37.38
COC1=NSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663317	0	30	-1.0	-43.26	287.08	0.74	-42.52
COC1=NSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663317	1	30	-1.0	-43.25	287.04	0.75	-42.50
CCOCN1N=C(C)C(CC(C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019663318	0	52	-1.0	-50.17	421.50	4.99	-45.18
CCOCN1N=C(C)C(CC(C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019663318	1	52	-1.0	-50.16	421.53	4.98	-45.18
COC1=CC2=NC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N2C=C1	REAL300019663319	0	37	-1.0	-48.16	321.41	4.53	-43.63
COC1=CC2=NC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N2C=C1	REAL300019663319	1	37	-1.0	-48.15	321.37	4.54	-43.61
COC1=CC=CC(S(=O)CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663320	0	39	-1.0	-55.95	351.16	2.94	-53.01
COC1=CC=CC(S(=O)CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663320	1	39	-1.0	-55.93	351.20	2.94	-52.99
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CC1=C(Br)C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019663322	0	30	-1.0	-44.80	299.79	5.26	-39.54
CC1=C(Br)C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019663322	1	30	-1.0	-44.81	299.83	5.25	-39.56
CC1=C2OC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=CC=C1	REAL300019663323	0	36	-1.0	-51.05	316.62	5.90	-45.15
CC1=C2OC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=CC=C1	REAL300019663323	1	36	-1.0	-51.03	316.67	5.90	-45.13
CCC(CC1=CC=CC=C1C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663324	0	45	-1.0	-47.06	358.37	8.05	-39.01
CCC(CC1=CC=CC=C1C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663324	1	45	-1.0	-47.06	358.41	8.05	-39.01
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CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(Br)O1	REAL300019663327	0	30	-1.0	-43.18	289.88	4.41	-38.77
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CC(=O)NC1=CC=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663330	0	40	-1.0	-53.71	347.42	4.46	-49.25
CC(=O)NC1=CC=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663330	1	40	-1.0	-53.56	347.32	4.47	-49.09
COC(=O)N1CC2CCC1C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300019663331	0	45	-1.0	-51.77	358.76	4.75	-47.02
COC(=O)N1CC2CCC1C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300019663331	1	45	-1.0	-51.72	358.80	4.74	-46.98
COC(=O)N1CC2C=CC1C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300019663332	0	43	-1.0	-56.36	351.76	5.52	-50.84
COC(=O)N1CC2C=CC1C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300019663332	1	43	-1.0	-56.36	351.80	5.53	-50.83
C=CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300019663333	0	41	-1.0	-46.82	325.65	4.24	-42.58
C=CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300019663333	1	41	-1.0	-46.87	325.71	4.24	-42.63
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CC(C)(C)OC(=O)NC(CCCC#N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663335	0	50	-1.0	-52.73	410.88	4.40	-48.33
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663335	1	50	-1.0	-52.75	410.92	4.40	-48.35
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663336	0	44	-1.0	-46.62	366.31	3.26	-43.36
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663336	1	44	-1.0	-46.66	366.34	3.26	-43.40
CC(C)(C)N1N=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1N	REAL300019663337	0	41	-1.0	-46.96	335.39	3.73	-43.23
CC(C)(C)N1N=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1N	REAL300019663337	1	41	-1.0	-46.90	335.35	3.74	-43.16
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663338	0	46	-1.0	-49.48	387.05	7.96	-41.52
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663338	1	46	-1.0	-49.50	387.09	7.95	-41.55
CC1=CC=C(C2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CCC2)C=C1	REAL300019663339	0	43	-1.0	-45.30	355.01	7.84	-37.46
CC1=CC=C(C2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CCC2)C=C1	REAL300019663339	1	43	-1.0	-45.32	355.04	7.83	-37.49
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=CC(O)=C21	REAL300019663340	0	37	-1.0	-50.05	320.49	5.58	-44.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=CC(O)=C21	REAL300019663340	1	37	-1.0	-50.07	320.52	5.57	-44.50
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663341	0	38	-1.0	-56.61	342.67	1.54	-55.07
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663341	1	38	-1.0	-56.61	342.72	1.53	-55.08
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019663342	0	42	0.0	-80.68	351.44	4.82	-75.86
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019663342	1	42	0.0	-80.63	351.39	4.84	-75.79
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663343	0	42	0.0	-62.18	346.16	4.79	-57.39
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663343	1	42	0.0	-62.17	346.13	4.80	-57.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300019663344	0	33	-1.0	-43.86	327.51	6.46	-37.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300019663344	1	33	-1.0	-43.83	327.56	6.45	-37.38
CN1C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(=O)C2=CC=CC=C21	REAL300019663345	0	39	-1.0	-47.08	328.45	5.98	-41.10
CN1C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(=O)C2=CC=CC=C21	REAL300019663345	1	39	-1.0	-47.06	328.50	5.98	-41.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(SC(F)(F)F)O1	REAL300019663346	0	31	-1.0	-43.08	311.90	4.66	-38.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(SC(F)(F)F)O1	REAL300019663346	1	31	-1.0	-43.12	311.94	4.67	-38.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(O)=C1OC(F)(F)F	REAL300019663347	0	35	-1.0	-52.71	321.25	3.55	-49.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(O)=C1OC(F)(F)F	REAL300019663347	1	35	-1.0	-52.67	321.29	3.55	-49.12
CC(C)(C)OC(=O)CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL300019663348	0	48	-1.0	-53.26	379.90	7.01	-46.25
CC(C)(C)OC(=O)CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300019663348	1	48	-1.0	-53.29	379.93	7.00	-46.29
CON1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663349	0	39	-1.0	-47.79	315.80	2.30	-45.49
CON1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663349	1	39	-1.0	-47.81	315.84	2.29	-45.52
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL300019663350	0	42	0.0	-71.59	323.25	4.96	-66.63
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL300019663350	1	42	0.0	-69.26	326.93	5.55	-63.71
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@@H+]1C	REAL300019663350	1	42	0.0	-71.55	323.20	4.96	-66.59
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@H+]1C	REAL300019663350	1	42	0.0	-69.22	326.88	5.56	-63.66
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=C(Br)C=N1	REAL300019663351	0	36	-1.0	-46.46	329.83	4.61	-41.85
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=C(Br)C=N1	REAL300019663351	1	36	-1.0	-46.44	329.79	4.62	-41.82
CN1N=C2C=C(Br)C=CC2=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663352	0	36	-1.0	-46.97	331.11	5.71	-41.26
CN1N=C2C=C(Br)C=CC2=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663352	1	36	-1.0	-46.93	331.08	5.72	-41.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC2=CC(Cl)=CN=C12	REAL300019663353	0	32	-1.0	-52.86	315.09	5.01	-47.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC2=CC(Cl)=CN=C12	REAL300019663353	1	32	-1.0	-52.86	315.04	5.02	-47.84
CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663354	0	53	-1.0	-52.33	409.53	6.98	-45.35
CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663354	1	53	-1.0	-52.29	409.57	6.95	-45.34
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300019663355	0	36	-1.0	-47.64	327.21	5.16	-42.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300019663355	1	36	-1.0	-47.64	327.25	5.17	-42.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300019663356	0	37	-1.0	-47.37	333.94	6.11	-41.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300019663356	1	37	-1.0	-47.31	333.90	6.12	-41.19
CCOC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300019663357	0	42	-1.0	-45.50	345.90	6.09	-39.41
CCOC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300019663357	1	42	-1.0	-45.56	345.96	6.08	-39.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2CCCCC2=C1	REAL300019663358	0	38	-1.0	-51.05	317.81	6.14	-44.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2CCCCC2=C1	REAL300019663358	1	38	-1.0	-51.09	317.84	6.13	-44.96
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663359	0	35	-1.0	-50.75	319.31	6.16	-44.59
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663359	1	35	-1.0	-50.70	319.33	6.16	-44.54
CC1=C([N+](=O)[O-])C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019663360	0	37	-1.0	-45.43	333.51	6.55	-38.88
CC1=C([N+](=O)[O-])C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019663360	1	37	-1.0	-45.45	333.56	6.54	-38.91
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663361	0	37	-1.0	-55.11	340.28	-0.51	-55.62
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663361	1	37	-1.0	-55.08	340.24	-0.51	-55.59
CCNC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019663362	0	34	-1.0	-44.18	312.95	2.79	-41.39
CCNC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300019663362	1	34	-1.0	-44.24	312.91	2.80	-41.44
NC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019663363	0	33	-1.0	-49.48	299.81	2.74	-46.74
NC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019663363	1	33	-1.0	-49.48	299.77	2.74	-46.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(NC2=CC=CC=C2)CC1	REAL300019663364	0	39	-1.0	-45.04	332.60	5.25	-39.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(NC2=CC=CC=C2)CC1	REAL300019663364	1	39	-1.0	-45.11	332.69	5.24	-39.87
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663365	0	39	-1.0	-48.09	352.13	7.35	-40.74
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663365	1	39	-1.0	-48.10	352.17	7.34	-40.76
CN1N=C(C2CC2)N=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663366	0	39	-1.0	-56.24	339.42	5.03	-51.21
CN1N=C(C2CC2)N=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663366	1	39	-1.0	-56.28	339.45	5.02	-51.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=NC=NC=C2C1	REAL300019663367	0	38	-1.0	-48.43	320.48	5.25	-43.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=NC=NC=C2C1	REAL300019663367	1	38	-1.0	-48.44	320.51	5.24	-43.20
CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1(F)Cl	REAL300019663368	0	33	-1.0	-43.99	301.59	5.12	-38.87
CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1(F)Cl	REAL300019663368	1	33	-1.0	-43.98	301.63	5.11	-38.87
COC1=CC=C2C(=C1)C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C(C)N2C	REAL300019663369	0	44	-1.0	-52.10	373.37	6.32	-45.78
COC1=CC=C2C(=C1)C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C(C)N2C	REAL300019663369	1	44	-1.0	-52.07	373.42	6.31	-45.76
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300019663370	0	44	-1.0	-44.00	373.60	5.88	-38.12
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300019663370	1	44	-1.0	-43.96	373.56	5.89	-38.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC(Cl)=C2S1	REAL300019663371	0	33	-1.0	-44.63	321.97	6.82	-37.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC(Cl)=C2S1	REAL300019663371	1	33	-1.0	-44.66	322.00	6.82	-37.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=CC(Br)=CC=C21	REAL300019663372	0	37	-1.0	-45.88	333.90	7.29	-38.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=CC(Br)=CC=C21	REAL300019663372	1	37	-1.0	-45.71	333.58	7.28	-38.43
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663373	0	36	-1.0	-53.65	318.92	5.37	-48.28
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CC1=C(C2=CC=CC=C2)SC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663419	1	40	-1.0	-44.62	357.72	8.23	-36.39
CC1=NN(C(C)C)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663420	0	39	-1.0	-49.32	329.80	4.62	-44.70
CC1=NN(C(C)C)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663420	1	39	-1.0	-49.30	329.85	4.61	-44.69
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CC1=CC=CC=C1N1N=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C(F)F	REAL300019663427	0	43	-1.0	-49.62	371.72	7.53	-42.09
CC1=CC=CC=C1N1N=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C(F)F	REAL300019663427	1	43	-1.0	-49.60	371.75	7.52	-42.08
CC1=CC=C(C2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CCOCC2)C=C1C	REAL300019663428	0	50	-1.0	-45.40	383.91	7.16	-38.24
CC1=CC=C(C2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CCOCC2)C=C1C	REAL300019663428	1	50	-1.0	-45.41	383.95	7.15	-38.26
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1N1C=CC=N1	REAL300019663431	0	43	-1.0	-47.08	340.24	6.63	-40.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1N1C=CC=N1	REAL300019663431	1	43	-1.0	-47.12	340.22	6.64	-40.48
CC(C)C1CCC(C)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663432	0	48	-1.0	-45.30	358.14	7.26	-38.04
CC(C)C1CCC(C)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663432	1	48	-1.0	-45.34	358.18	7.25	-38.09
CC(C)(C)OC(=O)N1CCCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019663433	0	53	-1.0	-57.76	413.58	6.53	-51.23
CC(C)(C)OC(=O)N1CCCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663433	1	53	-1.0	-57.74	413.60	6.51	-51.23
CC(C)(C)OC(=O)N(CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL300019663434	0	50	-1.0	-48.16	400.88	6.25	-41.91
CC(C)(C)OC(=O)N(CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL300019663434	1	50	-1.0	-48.15	400.92	6.24	-41.91
CC(C)(C)OC(=O)NCC1CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663435	0	53	-1.0	-51.02	421.76	4.84	-46.18
CC(C)(C)OC(=O)NCC1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663435	1	53	-1.0	-51.00	421.81	4.83	-46.17
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019663436	0	46	-1.0	-48.27	370.44	4.94	-43.33
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019663436	1	46	-1.0	-48.24	370.49	4.94	-43.30
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663437	0	40	-1.0	-47.91	349.04	7.25	-40.66
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663437	1	40	-1.0	-47.91	349.09	7.24	-40.67
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC(=O)C2=CC=CC=C21	REAL300019663438	0	38	-1.0	-46.20	329.24	6.83	-39.37
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC(=O)C2=CC=CC=C21	REAL300019663438	1	38	-1.0	-46.20	329.28	6.81	-39.39
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019663439	0	54	-1.0	-52.23	424.14	6.92	-45.31
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663439	1	54	-1.0	-52.23	424.21	6.91	-45.32
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663440	0	53	-1.0	-60.92	433.43	5.92	-55.00
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663440	1	53	-1.0	-60.91	433.47	5.91	-55.00
CC(C)(C)OC(=O)CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663441	0	47	-1.0	-47.82	384.50	6.97	-40.85
CC(C)(C)OC(=O)CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663441	1	47	-1.0	-47.86	384.54	6.97	-40.89
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663442	0	37	-1.0	-47.95	328.80	2.25	-45.70
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663442	1	37	-1.0	-47.95	328.84	2.24	-45.71
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CC(C)(C)C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663445	0	42	-1.0	-46.57	342.67	7.21	-39.36
CC(C)(C)C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663445	1	42	-1.0	-46.57	342.71	7.21	-39.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2CC2)=C1	REAL300019663446	0	37	-1.0	-46.82	315.43	7.01	-39.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C2CC2)=C1	REAL300019663446	1	37	-1.0	-46.79	315.47	7.00	-39.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OCCOC2=N1	REAL300019663447	0	35	-1.0	-46.41	308.25	1.13	-45.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCCOC2=N1	REAL300019663447	1	35	-1.0	-46.42	308.20	1.13	-45.29
O=C(CCCC1=CC=C(F)C=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663448	0	39	-1.0	-49.50	340.15	7.24	-42.26
O=C(CCCC1=CC=C(F)C=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663448	1	39	-1.0	-49.51	340.20	7.23	-42.28
CS(=O)(=O)N1CCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663449	0	44	-1.0	-55.68	365.85	2.26	-53.42
CS(=O)(=O)N1CCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663449	1	44	-1.0	-55.72	365.90	2.26	-53.46
CC1=NN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)N1C	REAL300019663450	0	36	-1.0	-57.36	320.73	3.88	-53.48
CC1=NN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)N1C	REAL300019663450	1	36	-1.0	-57.69	320.49	3.88	-53.81
O=C(CC1OCC2=CC=CC=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663451	0	38	-1.0	-49.38	325.59	5.49	-43.89
O=C(CC1OCC2=CC=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663451	1	38	-1.0	-49.31	325.35	5.48	-43.83
COC1=CC=C2CCCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=C1	REAL300019663452	0	44	-1.0	-48.03	354.90	6.82	-41.21
COC1=CC=C2CCCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=C1	REAL300019663452	1	44	-1.0	-48.02	354.95	6.81	-41.21
COC1=CN2N=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2C=C1	REAL300019663453	0	37	-1.0	-49.01	323.41	3.89	-45.12
COC1=CN2N=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2C=C1	REAL300019663453	1	37	-1.0	-49.04	323.36	3.90	-45.14
O=C(CCC1CCCCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663454	0	45	-1.0	-45.64	345.22	6.95	-38.69
O=C(CCC1CCCCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663454	1	45	-1.0	-45.64	345.26	6.94	-38.70
CC1(C)CC2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2O1	REAL300019663455	0	41	-1.0	-52.59	342.91	6.97	-45.62
CC1(C)CC2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2O1	REAL300019663455	1	41	-1.0	-52.56	342.95	6.97	-45.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCS1(=O)=O	REAL300019663456	0	33	-1.0	-54.07	293.51	0.55	-53.52
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCS1(=O)=O	REAL300019663456	1	33	-1.0	-54.06	293.56	0.54	-53.52
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663457	0	37	-1.0	-49.71	340.63	5.18	-44.53
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663457	1	37	-1.0	-49.70	340.67	5.17	-44.53
NC1=NC(C2CC2)=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663458	0	37	-1.0	-44.85	318.68	3.71	-41.14
NC1=NC(C2CC2)=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663458	1	37	-1.0	-44.87	318.72	3.71	-41.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC=C2N=C(C(F)(F)F)N=C21	REAL300019663459	0	35	-1.0	-61.52	327.89	3.51	-58.01
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CN1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C21	REAL300019663460	0	42	-1.0	-47.35	341.68	5.14	-42.21
CN1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C21	REAL300019663460	1	42	-1.0	-47.31	341.73	5.14	-42.17
CN(C)C1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019663461	0	37	-1.0	-45.06	334.65	4.10	-40.96
CN(C)C1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019663461	1	37	-1.0	-45.03	334.61	4.11	-40.92
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663462	0	43	-1.0	-44.21	368.36	6.68	-37.53
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663462	1	43	-1.0	-44.19	368.41	6.67	-37.52
CC(C)(C)N1CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663463	0	41	-1.0	-48.18	324.97	2.40	-45.78
CC(C)(C)N1CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663463	1	41	-1.0	-48.15	324.83	2.40	-45.75
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663463	1	42	0.0	-67.46	312.25	4.44	-63.02
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663463	1	42	0.0	-66.51	328.19	5.00	-61.51
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CC(=NO)C1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL300019663466	1	43	-1.0	-46.33	350.29	3.20	-43.13
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CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663472	1	52	-1.0	-48.90	424.96	7.19	-41.71
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CC1CC2=CNN=C2C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663473	1	40	-1.0	-45.66	328.35	4.16	-41.50
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL300019663474	0	46	-1.0	-44.81	373.86	5.26	-39.55
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL300019663474	1	46	-1.0	-44.79	373.90	5.25	-39.54
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CC(C)CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CN=C1	REAL300019663478	0	42	-1.0	-47.24	350.42	7.02	-40.22
CC(C)CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CN=C1	REAL300019663478	1	42	-1.0	-47.22	350.46	6.99	-40.23
CN1C(Cl)=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663479	0	30	-1.0	-44.82	282.72	3.77	-41.05
CN1C(Cl)=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663479	1	30	-1.0	-44.84	282.69	3.78	-41.06
CN1CCCC1C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL300019663480	0	42	-1.0	-44.57	352.98	1.84	-42.73
CN1CCCC1C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300019663480	1	42	-1.0	-44.53	353.02	1.82	-42.71
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300019663480	1	43	0.0	-75.42	352.52	4.38	-71.04
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300019663480	1	43	0.0	-75.29	352.97	4.37	-70.92
CN1C(=O)CSC1=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663481	0	33	-1.0	-48.58	300.86	3.40	-45.18
CN1C(=O)CSC1=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663481	1	33	-1.0	-48.59	300.90	3.39	-45.20
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(C2=CC=CC=C2)=NO1	REAL300019663482	0	41	-1.0	-44.73	353.77	5.78	-38.95
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C2=CC=CC=C2)=NO1	REAL300019663482	1	41	-1.0	-44.73	353.83	5.77	-38.96
O=C(CCC(=O)NC1=C(F)C=CC=C1F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663483	0	40	-1.0	-49.47	355.67	4.81	-44.66
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CN(C)C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019663484	0	41	-1.0	-46.14	357.68	5.19	-40.95
CN(C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019663484	1	41	-1.0	-46.30	358.86	5.10	-41.20
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL300019663485	0	45	-1.0	-44.32	362.74	6.68	-37.64
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300019663485	1	45	-1.0	-43.98	362.47	6.68	-37.30
CC1=CC=CC2=NC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N21	REAL300019663486	0	36	-1.0	-48.57	304.98	5.78	-42.79
CC1=CC=CC2=NC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N21	REAL300019663486	1	36	-1.0	-48.55	304.76	5.79	-42.76
CC(=CC1=CC=NC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663487	0	36	-1.0	-46.67	309.18	4.94	-41.73
CC(=CC1=CC=NC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663487	1	36	-1.0	-46.68	309.23	4.93	-41.75
CC(=CC1=CC=CC=N1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663488	0	36	-1.0	-46.10	310.03	5.97	-40.13
CC(=CC1=CC=CC=N1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663488	1	36	-1.0	-46.11	310.07	5.97	-40.14
CC(=CC1=CC=CN=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663489	0	36	-1.0	-47.53	309.02	4.94	-42.59
CC(=CC1=CC=CN=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663489	1	36	-1.0	-47.53	309.06	4.94	-42.59
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC(=O)C2=CC=CC=C21	REAL300019663490	0	39	-1.0	-46.48	329.42	4.80	-41.68
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC(=O)C2=CC=CC=C21	REAL300019663490	1	39	-1.0	-46.49	329.46	4.79	-41.70
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1CCC2=CC=CC=C21	REAL300019663491	0	45	-1.0	-51.49	356.16	5.85	-45.64
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1CCC2=CC=CC=C21	REAL300019663491	1	45	-1.0	-51.49	356.20	5.85	-45.64
CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019663492	0	40	-1.0	-51.45	346.27	4.72	-46.73
CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019663492	1	40	-1.0	-51.47	346.31	4.72	-46.75
CSC1=CC(Br)=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663493	0	34	-1.0	-46.55	323.51	6.51	-40.04
CSC1=CC(Br)=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663493	1	34	-1.0	-46.54	323.55	6.51	-40.03
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(NC2CC2)=N1	REAL300019663494	0	41	-1.0	-46.05	348.88	5.08	-40.97
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(NC2CC2)=N1	REAL300019663494	1	41	-1.0	-46.03	348.92	5.07	-40.96
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1Br	REAL300019663495	0	37	-1.0	-45.16	332.61	6.37	-38.79
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1Br	REAL300019663495	1	37	-1.0	-45.21	332.68	6.35	-38.86
CC1=CC=C(C2=NC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)S2)C=C1C	REAL300019663496	0	42	-1.0	-45.91	371.71	7.02	-38.89
CC1=CC=C(C2=NC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)S2)C=C1C	REAL300019663496	1	42	-1.0	-45.90	371.67	7.02	-38.88
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663497	0	39	-1.0	-48.42	352.13	5.48	-42.94
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663497	1	39	-1.0	-48.43	352.17	5.47	-42.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300019663498	0	39	-1.0	-46.23	345.41	5.16	-41.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300019663498	1	39	-1.0	-46.21	345.45	5.15	-41.06
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC2(F)F)CC1	REAL300019663499	0	40	-1.0	-46.44	335.87	6.62	-39.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC2(F)F)CC1	REAL300019663499	1	40	-1.0	-46.46	335.91	6.61	-39.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)F)C=C1F	REAL300019663500	0	33	-1.0	-53.87	305.19	5.89	-47.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)F)C=C1F	REAL300019663500	1	33	-1.0	-53.90	305.23	5.89	-48.01
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663501	0	38	-1.0	-48.66	342.36	6.01	-42.65
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663501	1	38	-1.0	-48.63	342.40	6.00	-42.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OCC(F)(F)F)O1	REAL300019663502	0	34	-1.0	-44.47	324.40	4.71	-39.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OCC(F)(F)F)O1	REAL300019663502	1	34	-1.0	-44.49	324.44	4.71	-39.78
NC1=C(Cl)C(F)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019663503	0	32	-1.0	-44.13	311.90	3.98	-40.15
NC1=C(Cl)C(F)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019663503	1	32	-1.0	-44.23	311.66	3.99	-40.24
CC(C)(C)OC(=O)N1C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1C1CC1	REAL300019663504	0	54	-1.0	-54.36	426.16	7.59	-46.77
CC(C)(C)OC(=O)N1C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1C1CC1	REAL300019663504	1	54	-1.0	-54.33	426.21	7.59	-46.74
CS(=O)(=O)C1=CC=C(NCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019663505	0	41	-1.0	-54.63	364.69	1.40	-53.23
CS(=O)(=O)C1=CC=C(NCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019663505	1	41	-1.0	-54.59	364.73	1.39	-53.20
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O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC=C1NC(=O)C(F)(F)F	REAL300019663506	1	36	-1.0	-46.94	330.95	2.82	-44.12
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl	REAL300019663507	1	32	-1.0	-47.66	330.66	6.79	-40.87
COC1=CC=CC(O)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663508	0	35	-1.0	-51.18	310.16	1.30	-49.88
COC1=CC=CC(O)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663508	1	35	-1.0	-51.22	310.20	1.30	-49.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(N2CCCCC2)=N1	REAL300019663509	0	41	-1.0	-43.62	351.75	4.38	-39.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(N2CCCCC2)=N1	REAL300019663509	1	41	-1.0	-43.61	351.71	4.39	-39.22
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CCC(CC)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300019663511	0	50	-1.0	-53.15	391.45	7.79	-45.36
CCC(CC)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300019663511	1	50	-1.0	-53.11	391.50	7.78	-45.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CN=CC=C2C=C1	REAL300019663512	0	35	-1.0	-47.96	307.22	5.40	-42.56
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CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663588	0	46	-1.0	-53.87	388.85	3.38	-50.49
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663588	1	46	-1.0	-53.88	388.88	3.37	-50.51
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CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663590	1	48	-1.0	-52.29	384.22	7.14	-45.15
CC(C)(C)N1N=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019663591	0	37	-1.0	-45.51	323.76	2.66	-42.85
CC(C)(C)N1N=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019663591	1	37	-1.0	-45.51	323.72	2.67	-42.84
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CC1=CC(Br)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019663593	0	36	-1.0	-43.22	320.20	6.74	-36.48
CC1=CC(Br)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019663593	1	36	-1.0	-43.23	320.24	6.74	-36.49
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CC(=O)NC(CCC(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663598	0	45	-1.0	-54.68	364.41	5.03	-49.65
CC(=O)NC(CCC(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663598	1	45	-1.0	-54.65	364.45	5.02	-49.63
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C#N	REAL300019663599	0	35	-1.0	-49.11	316.12	4.63	-44.48
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CC(C)C1=CC=C(C2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CCCCC2)C=C1	REAL300019663612	0	55	-1.0	-45.57	418.47	10.09	-35.48
CC(C)C1=CC=C(C2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CCCCC2)C=C1	REAL300019663612	1	55	-1.0	-45.59	418.51	10.08	-35.51
CC(C)(CC(F)(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663613	0	35	-1.0	-43.50	297.14	4.68	-38.82
CC(C)(CC(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663613	1	35	-1.0	-43.51	297.18	4.67	-38.84
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CN1N=CC(C2CC2)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663615	0	37	-1.0	-44.80	323.37	4.68	-40.12
CN1N=CC(C2CC2)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663615	1	37	-1.0	-44.84	323.33	4.69	-40.15
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CC1=CC(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1OC(F)(F)F	REAL300019663616	1	41	-1.0	-46.13	367.02	6.62	-39.51
COC(=O)C1=CC=C2CCCC(CC(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=C1	REAL300019663617	0	49	-1.0	-48.86	399.93	8.46	-40.40
COC(=O)C1=CC=C2CCCC(CC(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=C1	REAL300019663617	1	49	-1.0	-48.85	399.97	8.45	-40.40
COC1=NOC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663618	0	36	-1.0	-48.14	320.45	1.96	-46.18
COC1=NOC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663618	1	36	-1.0	-48.12	320.50	1.95	-46.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=CNC2=NC=N1	REAL300019663619	0	32	-1.0	-47.07	288.09	4.03	-43.04
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=CNC2=NC=N1	REAL300019663619	1	32	-1.0	-47.08	288.13	4.02	-43.06
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC=C1Br	REAL300019663620	0	30	-1.0	-46.87	305.74	5.72	-41.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC=C1Br	REAL300019663620	1	30	-1.0	-46.87	305.78	5.70	-41.17
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL300019663621	0	46	-1.0	-45.23	371.79	7.12	-38.11
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL300019663621	1	46	-1.0	-45.22	371.83	7.11	-38.11
CC(C)(C)OC(=O)C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)(C)C	REAL300019663622	0	50	-1.0	-51.13	385.19	8.15	-42.98
CC(C)(C)OC(=O)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)(C)C	REAL300019663622	1	50	-1.0	-51.13	385.21	8.14	-42.99
CC(C)(C)OC(=O)C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL300019663623	0	45	-1.0	-51.22	366.39	7.58	-43.64
CC(C)(C)OC(=O)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL300019663623	1	45	-1.0	-51.18	366.14	7.58	-43.60
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL300019663624	0	52	-1.0	-43.23	400.85	7.89	-35.34
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL300019663624	1	52	-1.0	-43.20	400.89	7.89	-35.31
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663625	0	51	-1.0	-53.96	395.12	7.65	-46.31
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663625	1	51	-1.0	-53.98	395.16	7.66	-46.32
C=C(C)CC(NC(C)=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663626	0	40	-1.0	-53.76	337.53	4.25	-49.51
C=C(C)CC(NC(C)=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663626	1	40	-1.0	-53.78	337.56	4.26	-49.52
COC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC(F)(F)CC1	REAL300019663627	0	40	-1.0	-43.63	322.71	3.84	-39.79
COC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC(F)(F)CC1	REAL300019663627	1	40	-1.0	-43.79	322.29	3.86	-39.93
CN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C1=CC=CC=C1	REAL300019663628	0	41	-1.0	-49.60	346.50	7.78	-41.82
CN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C1=CC=CC=C1	REAL300019663628	1	41	-1.0	-49.64	346.56	7.76	-41.88
CCCCCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL300019663629	0	42	-1.0	-45.69	357.24	5.01	-40.68
CCCCCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300019663629	1	42	-1.0	-45.74	357.28	5.00	-40.74
CC(C)[C@H](NCC(F)(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663630	0	40	-1.0	-46.30	342.39	3.63	-42.67
CC(C)[C@H](NCC(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663630	1	40	-1.0	-46.29	342.44	3.62	-42.67
CNC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019663631	0	31	-1.0	-44.97	291.47	1.96	-43.01
CNC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300019663631	1	31	-1.0	-44.97	291.42	1.97	-43.00
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1C1CCOCC1	REAL300019663632	0	48	-1.0	-46.73	375.87	6.09	-40.64
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1C1CCOCC1	REAL300019663632	1	48	-1.0	-46.73	375.91	6.09	-40.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019663633	0	36	-1.0	-43.10	331.62	5.95	-37.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019663633	1	36	-1.0	-43.08	331.57	5.96	-37.12
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(NCC(F)(F)F)=N1	REAL300019663634	0	40	-1.0	-46.28	359.12	4.64	-41.64
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(NCC(F)(F)F)=N1	REAL300019663634	1	40	-1.0	-46.26	359.17	4.65	-41.61
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019663635	0	34	-1.0	-46.45	313.87	4.46	-41.99
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019663635	1	34	-1.0	-46.41	313.91	4.45	-41.96
CC1(C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(C)(C)C1	REAL300019663636	0	48	-1.0	-44.81	363.22	7.03	-37.78
CC1(C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C)(C)C1	REAL300019663636	1	48	-1.0	-44.79	363.26	7.02	-37.77
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663637	0	37	-1.0	-54.46	322.42	5.14	-49.32
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663637	1	37	-1.0	-54.58	322.67	5.15	-49.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1COCC2	REAL300019663638	0	38	-1.0	-48.10	314.61	5.03	-43.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1COCC2	REAL300019663638	1	38	-1.0	-48.08	314.65	5.02	-43.06
CC(C)(C)N1N=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Br	REAL300019663639	0	39	-1.0	-46.81	341.81	4.86	-41.95
CC(C)(C)N1N=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Br	REAL300019663639	1	39	-1.0	-46.82	341.77	4.87	-41.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(CC2(F)F)C1	REAL300019663640	0	34	-1.0	-46.63	303.37	5.42	-41.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CC2(F)F)C1	REAL300019663640	1	34	-1.0	-46.62	303.14	5.42	-41.20
CC1=CC(F)=CC(C)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663641	0	36	-1.0	-44.04	315.61	5.90	-38.14
CC1=CC(F)=CC(C)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663641	1	36	-1.0	-44.03	315.65	5.89	-38.14
CN1N=CC(C2CCC2)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663642	0	40	-1.0	-44.58	339.68	5.16	-39.42
CN1N=CC(C2CCC2)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663642	1	40	-1.0	-44.62	339.64	5.17	-39.45
C[C@@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019663643	0	46	-1.0	-48.25	370.44	4.94	-43.31
C[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019663643	1	46	-1.0	-47.94	370.23	4.95	-42.99
COC(=O)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL300019663644	0	36	-1.0	-45.04	324.23	4.47	-40.57
COC(=O)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL300019663644	1	36	-1.0	-45.06	324.27	4.46	-40.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(CO)C1=CC=CC=C1	REAL300019663645	0	37	-1.0	-46.29	316.06	3.23	-43.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(CO)C1=CC=CC=C1	REAL300019663645	1	37	-1.0	-46.29	316.11	3.22	-43.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCN1C1CCCC1	REAL300019663646	0	42	-1.0	-48.28	334.87	3.33	-44.95
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300019663646	1	43	0.0	-70.43	339.17	6.27	-64.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@H+]1C1CCCC1	REAL300019663646	1	43	0.0	-69.11	331.10	5.73	-63.38
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCN1C1CCCC1	REAL300019663646	1	42	-1.0	-48.29	334.91	3.32	-44.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(Br)C=N1	REAL300019663647	0	29	-1.0	-41.79	300.15	4.22	-37.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(Br)C=N1	REAL300019663647	1	29	-1.0	-41.78	300.11	4.22	-37.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2N=C(CO)NC2=CC=C1	REAL300019663648	0	37	-1.0	-56.88	324.16	1.28	-55.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2N=C(CO)NC2=CC=C1	REAL300019663648	1	37	-1.0	-56.89	324.20	1.28	-55.61
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663649	0	38	-1.0	-51.25	329.08	5.91	-45.34
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663649	1	38	-1.0	-51.27	329.04	5.92	-45.35
CC(=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CN1CCOCC1	REAL300019663650	0	43	-1.0	-46.07	348.48	2.32	-43.75
CC(=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CN1CCOCC1	REAL300019663650	1	43	-1.0	-46.06	348.52	2.33	-43.73
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN=C(C2=CC=CO2)O1	REAL300019663651	0	32	-1.0	-46.11	302.77	-0.97	-47.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN=C(C2=CC=CO2)O1	REAL300019663651	1	32	-1.0	-46.18	303.09	-0.99	-47.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019663652	0	33	-1.0	-54.47	305.42	4.54	-49.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019663652	1	33	-1.0	-54.49	305.46	4.54	-49.95
CN(C)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(F)(F)F)=C1	REAL300019663653	0	41	-1.0	-44.66	357.70	6.31	-38.35
CN(C)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(F)(F)F)=C1	REAL300019663653	1	41	-1.0	-44.68	357.75	6.30	-38.38
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019663654	1	34	-1.0	-46.10	322.91	6.37	-39.73
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CC1=NNC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019663659	1	36	-1.0	-48.32	315.02	4.19	-44.13
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NC(=O)N=NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019663661	1	36	-1.0	-51.91	327.69	0.08	-51.83
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CC(C)(C)OC(=O)COC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663666	1	49	-1.0	-55.58	407.31	7.78	-47.80
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COCCCN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CC1=O	REAL300019663667	1	42	-1.0	-46.51	366.02	2.72	-43.79
CC(C)(C)N1C=C(Br)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019663668	0	39	-1.0	-46.81	350.75	5.32	-41.49
CC(C)(C)N1C=C(Br)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019663668	1	39	-1.0	-46.81	350.71	5.33	-41.48
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O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300019663670	0	47	-1.0	-52.62	356.35	6.07	-46.55
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CC(C)(C)OC(=O)CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300019663673	0	52	-1.0	-53.73	399.10	6.23	-47.50
CC(C)(C)OC(=O)CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300019663673	1	52	-1.0	-53.77	399.19	6.23	-47.54
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019663674	0	44	-1.0	-49.45	370.71	6.40	-43.05
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019663674	1	44	-1.0	-49.46	370.75	6.41	-43.05
CC(C)C1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663675	0	39	-1.0	-45.61	324.15	6.69	-38.92
CC(C)C1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663675	1	39	-1.0	-45.60	324.19	6.68	-38.92
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019663676	0	49	-1.0	-51.92	407.20	7.79	-44.13
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019663676	1	49	-1.0	-51.95	407.24	7.80	-44.15
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663677	0	54	-1.0	-57.08	423.51	7.08	-50.00
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663677	1	54	-1.0	-57.07	423.55	7.08	-49.99
CC1=NN(C(C)CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019663678	0	39	-1.0	-48.19	330.03	4.60	-43.59
CC1=NN(C(C)CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019663678	1	39	-1.0	-48.22	330.07	4.59	-43.63
O=C(CCCC1=CC=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663679	0	38	-1.0	-50.93	328.91	5.37	-45.56
O=C(CCCC1=CC=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663679	1	38	-1.0	-50.95	328.86	5.38	-45.57
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(F)(F)F	REAL300019663680	0	37	-1.0	-46.60	333.40	5.29	-41.31
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C(F)(F)F	REAL300019663680	1	37	-1.0	-46.58	333.44	5.28	-41.30
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC1	REAL300019663681	0	38	-1.0	-50.85	310.11	2.64	-48.21
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL300019663681	1	38	-1.0	-50.83	310.15	2.63	-48.20
CC(C)(C)N1N=NC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019663682	0	40	-1.0	-54.19	344.22	3.16	-51.03
CC(C)(C)N1N=NC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019663682	1	40	-1.0	-54.22	344.25	3.15	-51.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2COCCC2=C1	REAL300019663683	0	38	-1.0	-47.56	320.27	4.98	-42.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2COCCC2=C1	REAL300019663683	1	38	-1.0	-47.54	320.31	5.00	-42.54
COCCCOCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663684	0	40	-1.0	-46.14	341.53	2.51	-43.63
COCCCOCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663684	1	40	-1.0	-46.20	341.57	2.50	-43.70
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663685	0	38	-1.0	-43.59	334.91	5.07	-38.52
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663685	1	38	-1.0	-43.57	334.95	5.08	-38.49
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019663686	0	33	-1.0	-43.88	322.31	6.83	-37.05
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COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019663687	0	41	-1.0	-47.75	348.54	6.22	-41.53
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019663687	1	41	-1.0	-47.72	348.59	6.21	-41.51
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COCC1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663690	0	36	-1.0	-46.94	316.66	2.81	-44.13
COCC1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663690	1	36	-1.0	-46.97	316.62	2.81	-44.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CCCCC1	REAL300019663691	0	39	-1.0	-43.14	318.06	5.92	-37.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CCCCC1	REAL300019663691	1	39	-1.0	-43.14	318.12	5.91	-37.23
CN(C)C(=O)C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663692	0	46	-1.0	-60.61	359.13	4.90	-55.71
CN(C)C(=O)C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663692	1	46	-1.0	-60.52	358.53	4.90	-55.62
CC1=C(Br)C=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663693	0	32	-1.0	-43.93	295.41	4.34	-39.59
CC1=C(Br)C=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663693	1	32	-1.0	-43.93	295.45	4.33	-39.60
CC(C)[C@@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1CC2=CC=CC=C2C1=O	REAL300019663694	0	47	-1.0	-61.93	383.31	9.04	-52.89
CC(C)[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1CC2=CC=CC=C2C1=O	REAL300019663694	1	47	-1.0	-61.95	383.35	9.03	-52.92
COC1=CC=C(OC(C)(C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019663695	0	44	-1.0	-49.12	356.22	5.53	-43.59
COC1=CC=C(OC(C)(C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019663695	1	44	-1.0	-49.11	356.27	5.52	-43.59
CC(C)CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019663696	0	45	-1.0	-45.80	377.64	9.02	-36.78
CC(C)CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019663696	1	45	-1.0	-45.79	377.68	9.01	-36.78
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019663697	0	43	-1.0	-51.05	361.08	5.15	-45.90
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019663697	1	43	-1.0	-51.06	361.12	5.16	-45.90
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COC1=CC=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019663699	0	37	-1.0	-50.56	334.16	5.35	-45.21
COC1=CC=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019663699	1	37	-1.0	-50.52	334.20	5.34	-45.18
CCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019663700	0	49	-1.0	-47.08	391.18	6.11	-40.97
CCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019663700	1	49	-1.0	-47.12	391.22	6.10	-41.02
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O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(CC1COCCO1)C(F)(F)F	REAL300019663702	0	41	-1.0	-43.67	345.87	3.59	-40.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(CC1COCCO1)C(F)(F)F	REAL300019663702	1	41	-1.0	-43.64	345.92	3.59	-40.05
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300019663703	0	40	-1.0	-48.36	352.91	5.77	-42.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300019663703	1	40	-1.0	-48.35	352.96	5.77	-42.58
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663704	0	43	-1.0	-46.81	359.56	4.12	-42.69
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663704	1	43	-1.0	-46.84	359.64	4.12	-42.72
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019663705	0	50	-1.0	-54.85	400.94	5.66	-49.19
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663705	1	50	-1.0	-54.90	400.98	5.65	-49.25
O=C(CC1=CC=C(Br)C=C1F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663706	0	33	-1.0	-48.71	317.89	6.23	-42.48
O=C(CC1=CC=C(Br)C=C1F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663706	1	33	-1.0	-48.70	317.93	6.22	-42.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019663707	0	36	-1.0	-54.67	323.44	4.88	-49.79
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019663707	1	36	-1.0	-54.66	323.39	4.88	-49.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(N2C=NN=N2)CCOCC1	REAL300019663708	0	39	-1.0	-52.59	322.27	2.38	-50.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(N2C=NN=N2)CCOCC1	REAL300019663708	1	39	-1.0	-52.53	322.23	2.37	-50.16
CC(C)N(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300019663709	0	49	-1.0	-52.33	389.96	6.22	-46.11
CC(C)N(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300019663709	1	49	-1.0	-52.33	390.00	6.22	-46.11
CC(=O)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OC(C)C	REAL300019663710	0	45	-1.0	-50.07	374.39	7.46	-42.61
CC(=O)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1OC(C)C	REAL300019663710	1	45	-1.0	-50.07	374.43	7.46	-42.61
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663711	0	49	0.0	-79.26	373.24	5.46	-73.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663711	1	49	0.0	-81.16	390.70	6.13	-75.03
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663711	1	49	0.0	-79.25	373.20	5.45	-73.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663711	1	49	0.0	-80.86	390.99	6.12	-74.74
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CN(C)N=C2)C1	REAL300019663712	0	55	0.0	-77.96	425.38	7.30	-70.66
CC(C)[N@H+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CN(C)N=C2)C1	REAL300019663712	1	55	0.0	-78.60	424.88	7.29	-71.31
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CN(C)N=C2)C1	REAL300019663712	1	55	0.0	-77.98	425.33	7.31	-70.67
CC(C)[N@H+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CN(C)N=C2)C1	REAL300019663712	1	55	0.0	-78.55	424.83	7.30	-71.25
NC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1CC1=CC=CC=C1	REAL300019663713	0	42	-1.0	-47.52	361.66	5.55	-41.97
NC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1CC1=CC=CC=C1	REAL300019663713	1	42	-1.0	-47.52	361.63	5.56	-41.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2CCCCN2C=C1	REAL300019663714	0	38	-1.0	-48.22	315.49	6.13	-42.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2CCCCN2C=C1	REAL300019663714	1	38	-1.0	-48.21	315.53	6.12	-42.09
CC1=CC=NC(NC2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)=N1	REAL300019663715	0	43	-1.0	-50.99	369.82	8.07	-42.92
CC1=CC=NC(NC2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)=N1	REAL300019663715	1	43	-1.0	-50.96	369.77	8.08	-42.88
CCNC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019663716	0	34	-1.0	-45.94	312.40	2.93	-43.01
CCNC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019663716	1	34	-1.0	-45.94	312.36	2.93	-43.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019663717	0	33	-1.0	-41.43	322.15	6.31	-35.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019663717	1	33	-1.0	-41.40	322.20	6.30	-35.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2)C=C1	REAL300019663718	0	37	-1.0	-45.80	315.41	7.02	-38.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2)C=C1	REAL300019663718	1	37	-1.0	-45.81	315.45	7.01	-38.80
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL300019663719	0	40	-1.0	-47.65	326.98	5.31	-42.34
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL300019663719	1	40	-1.0	-47.67	327.02	5.32	-42.35
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663720	0	40	-1.0	-46.15	336.87	7.44	-38.71
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663720	1	40	-1.0	-46.17	336.92	7.43	-38.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2=CC=CC=C2CO1	REAL300019663721	0	38	-1.0	-48.90	323.38	6.01	-42.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2=CC=CC=C2CO1	REAL300019663721	1	38	-1.0	-48.91	323.42	6.00	-42.91
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300019663722	0	43	-1.0	-47.72	344.16	5.85	-41.87
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300019663722	1	43	-1.0	-47.72	344.19	5.86	-41.86
CC1CC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2O1	REAL300019663723	0	38	-1.0	-46.86	323.40	5.48	-41.38
CC1CC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2O1	REAL300019663723	1	38	-1.0	-46.87	323.44	5.48	-41.39
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CCCCC2	REAL300019663724	0	43	-1.0	-45.48	337.52	6.79	-38.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CCCCC2	REAL300019663724	1	43	-1.0	-45.52	337.56	6.78	-38.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019663725	0	36	-1.0	-45.81	324.69	7.67	-38.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019663725	1	36	-1.0	-45.78	324.74	7.67	-38.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300019663726	0	36	-1.0	-52.23	333.53	7.04	-45.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300019663726	1	36	-1.0	-52.16	333.49	7.05	-45.11
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1C1=CN(C)N=C1	REAL300019663727	0	44	-1.0	-49.88	373.57	6.47	-43.41
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1C1=CN(C)N=C1	REAL300019663727	1	44	-1.0	-49.87	373.53	6.48	-43.39
CC1=NC(C2=CC=CS2)=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019663728	0	39	-1.0	-49.93	362.58	5.92	-44.01
CC1=NC(C2=CC=CS2)=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019663728	1	39	-1.0	-49.91	362.54	5.93	-43.98
COCC1=CSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663729	0	34	-1.0	-46.47	313.94	3.63	-42.84
COCC1=CSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663729	1	34	-1.0	-46.42	313.98	3.62	-42.80
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCO1	REAL300019663730	0	40	-1.0	-45.83	322.19	4.15	-41.68
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCO1	REAL300019663730	1	40	-1.0	-45.81	322.23	4.14	-41.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019663731	0	43	0.0	-71.83	354.05	5.51	-66.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(NC2=NCCC2)C=C1	REAL300019663731	1	42	-1.0	-48.19	351.95	5.68	-42.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019663732	0	44	-1.0	-49.80	377.90	5.65	-44.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019663732	1	44	-1.0	-49.80	377.86	5.65	-44.15
NC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(Br)=N1	REAL300019663733	0	31	-1.0	-44.52	298.37	2.39	-42.13
NC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(Br)=N1	REAL300019663733	1	31	-1.0	-44.51	298.33	2.38	-42.13
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC2=C1COCC2	REAL300019663734	0	34	-1.0	-44.40	298.02	2.52	-41.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2=C1COCC2	REAL300019663734	1	34	-1.0	-44.37	298.06	2.51	-41.86
CC1=CN2C=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC2=N1	REAL300019663735	0	36	-1.0	-53.74	315.04	6.05	-47.69
CC1=CN2C=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC2=N1	REAL300019663735	1	36	-1.0	-53.77	315.08	6.05	-47.72
COC1=CC(OC)=C2C(=O)C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CNC2=C1	REAL300019663736	0	44	-1.0	-54.26	372.84	4.75	-49.51
COC1=CC(OC)=C2C(=O)C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CNC2=C1	REAL300019663736	1	44	-1.0	-54.30	372.86	4.74	-49.56
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663737	0	38	-1.0	-54.13	330.81	3.35	-50.78
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663737	1	38	-1.0	-54.13	330.84	3.34	-50.79
CNC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019663738	0	35	-1.0	-45.51	306.76	3.80	-41.71
CNC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019663738	1	35	-1.0	-45.54	306.80	3.80	-41.74
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019663739	0	53	-1.0	-54.13	421.40	4.25	-49.88
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019663739	1	53	-1.0	-54.14	421.45	4.25	-49.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2C(C1)C2(F)F	REAL300019663740	0	37	-1.0	-49.01	308.49	5.85	-43.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2C(C1)C2(F)F	REAL300019663740	1	37	-1.0	-49.01	308.53	5.84	-43.17
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019663741	0	41	-1.0	-51.76	346.39	1.55	-50.21
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663741	1	41	-1.0	-51.73	346.43	1.55	-50.18
COC1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1OC(F)F	REAL300019663742	0	41	-1.0	-53.35	359.64	5.06	-48.29
COC1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1OC(F)F	REAL300019663742	1	41	-1.0	-53.37	359.69	5.05	-48.32
CC1=CC=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Br	REAL300019663743	0	36	-1.0	-47.57	327.55	6.65	-40.92
CC1=CC=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Br	REAL300019663743	1	36	-1.0	-47.54	327.59	6.64	-40.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019663744	0	45	-1.0	-49.07	371.05	4.38	-44.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019663744	1	45	-1.0	-49.06	371.10	4.37	-44.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019663745	0	39	-1.0	-56.55	344.18	5.32	-51.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019663745	1	39	-1.0	-56.47	344.14	5.32	-51.15
CC1=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NC=C1Cl	REAL300019663746	0	35	-1.0	-51.53	320.39	5.04	-46.49
CC1=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NC=C1Cl	REAL300019663746	1	35	-1.0	-51.54	320.44	5.03	-46.51
NC1=C(Cl)C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019663747	0	32	-1.0	-44.83	310.14	3.95	-40.88
NC1=C(Cl)C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019663747	1	32	-1.0	-44.84	310.19	3.95	-40.89
CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC(F)(F)CC1	REAL300019663748	0	42	-1.0	-46.14	327.32	6.60	-39.54
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC(F)(F)CC1	REAL300019663748	1	42	-1.0	-46.14	327.34	6.59	-39.55
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663749	0	33	-1.0	-45.27	312.72	3.59	-41.68
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663749	1	33	-1.0	-45.82	312.96	3.59	-42.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019663750	0	42	-1.0	-47.15	338.92	6.13	-41.02
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019663750	1	42	-1.0	-47.14	338.96	6.13	-41.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CCOCC1	REAL300019663751	0	37	-1.0	-43.25	309.69	3.56	-39.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CCOCC1	REAL300019663751	1	37	-1.0	-43.26	309.73	3.54	-39.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019663752	0	33	-1.0	-45.48	317.74	6.40	-39.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019663752	1	33	-1.0	-45.47	317.79	6.40	-39.07
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663753	0	39	-1.0	-59.12	341.50	1.21	-57.91
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663753	1	39	-1.0	-59.14	341.54	1.20	-57.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019663754	0	43	-1.0	-45.65	357.25	7.90	-37.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019663754	1	43	-1.0	-45.60	357.31	7.90	-37.70
CCCCCCCCCCCCC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663755	0	65	-1.0	-45.49	498.52	12.11	-33.38
CCCCCCCCCCCCC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663755	1	65	-1.0	-45.50	498.56	12.10	-33.40
CCN1C(=O)NC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019663756	0	40	-1.0	-52.41	345.97	4.73	-47.68
CCN1C(=O)NC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019663756	1	40	-1.0	-52.41	346.01	4.73	-47.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019663757	0	41	-1.0	-51.37	351.28	5.36	-46.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019663757	1	41	-1.0	-51.38	351.33	5.36	-46.02
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663758	0	40	-1.0	-44.37	332.48	4.42	-39.95
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663758	1	40	-1.0	-44.30	332.25	4.42	-39.88
CC1(C)CCCC(O)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019663759	0	43	-1.0	-45.77	331.38	3.55	-42.22
CC1(C)CCCC(O)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663759	1	43	-1.0	-45.79	331.43	3.54	-42.25
COC(=O)N1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663760	0	41	-1.0	-52.70	340.05	3.82	-48.88
COC(=O)N1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663760	1	41	-1.0	-52.72	340.09	3.81	-48.91
O=C(CCC1=CC=CN=C1Cl)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663761	0	35	-1.0	-48.82	320.25	4.89	-43.93
O=C(CCC1=CC=CN=C1Cl)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663761	1	35	-1.0	-48.83	320.19	4.90	-43.93
CC(C)(C)OC(=O)N1CCCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019663762	0	53	-1.0	-52.30	410.73	6.92	-45.38
CC(C)(C)OC(=O)N1CCCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663762	1	53	-1.0	-52.32	410.78	6.90	-45.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN=C1SCC1=CC=CC=C1	REAL300019663763	0	42	-1.0	-50.93	376.70	7.08	-43.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN=C1SCC1=CC=CC=C1	REAL300019663763	1	42	-1.0	-50.92	376.65	7.08	-43.84
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663764	0	53	-1.0	-47.27	430.66	3.45	-43.82
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663764	1	53	-1.0	-47.26	430.70	3.44	-43.82
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300019663765	0	49	-1.0	-51.95	415.71	1.84	-50.11
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300019663765	1	49	-1.0	-51.91	415.67	1.85	-50.06
CN1C(=O)CO[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@H]1C1=CC=CN=C1	REAL300019663766	0	44	-1.0	-47.16	364.69	4.07	-43.09
CN1C(=O)CO[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@H]1C1=CC=CN=C1	REAL300019663766	1	44	-1.0	-47.19	364.64	4.08	-43.11
COC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300019663767	0	45	-1.0	-47.94	364.66	5.58	-42.36
COC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300019663767	1	45	-1.0	-47.95	365.01	5.58	-42.37
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1(C)C	REAL300019663768	0	48	-1.0	-42.42	377.43	7.37	-35.05
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1(C)C	REAL300019663768	1	48	-1.0	-42.43	377.47	7.36	-35.07
CC(C)(C)OC(=O)C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL300019663769	0	51	-1.0	-50.91	397.21	8.84	-42.07
CC(C)(C)OC(=O)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL300019663769	1	51	-1.0	-50.90	397.25	8.83	-42.07
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019663770	0	37	-1.0	-54.17	346.91	1.90	-52.27
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663770	1	37	-1.0	-54.18	346.95	1.89	-52.29
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019663771	0	40	-1.0	-47.89	351.97	6.59	-41.30
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019663771	1	40	-1.0	-47.85	352.06	6.59	-41.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CNC1=O	REAL300019663772	0	30	-1.0	-50.51	290.03	2.74	-47.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CNC1=O	REAL300019663772	1	30	-1.0	-50.57	290.07	2.74	-47.83
COCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300019663773	0	43	-1.0	-44.85	334.07	5.17	-39.68
COCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL300019663773	1	43	-1.0	-44.84	334.12	5.16	-39.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2CCCCCN12	REAL300019663774	0	40	-1.0	-46.20	322.33	5.29	-40.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2CCCCCN12	REAL300019663774	1	40	-1.0	-46.24	322.38	5.29	-40.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300019663775	0	39	-1.0	-46.19	344.05	7.56	-38.63
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300019663775	1	39	-1.0	-46.19	344.09	7.56	-38.63
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019663776	0	36	-1.0	-54.80	331.60	1.21	-53.59
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663776	1	36	-1.0	-54.74	331.65	1.21	-53.53
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CSC=C2S1	REAL300019663777	0	30	-1.0	-45.22	296.65	5.27	-39.95
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CSC=C2S1	REAL300019663777	1	30	-1.0	-45.20	296.69	5.27	-39.93
CC1=CC=CC=C1CC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663778	0	42	-1.0	-45.15	344.18	7.35	-37.80
CC1=CC=CC=C1CC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663778	1	42	-1.0	-45.17	344.22	7.34	-37.83
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC(C(F)F)=C1	REAL300019663779	0	33	-1.0	-43.35	303.37	4.72	-38.63
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC(C(F)F)=C1	REAL300019663779	1	33	-1.0	-43.34	303.41	4.71	-38.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CC3=C(Cl)C=CC=C3C21	REAL300019663780	0	38	-1.0	-49.79	334.35	7.81	-41.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CC3=C(Cl)C=CC=C3C21	REAL300019663780	1	38	-1.0	-49.79	334.40	7.80	-41.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300019663781	0	37	-1.0	-50.79	348.49	7.79	-43.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300019663781	1	37	-1.0	-50.79	348.53	7.79	-43.00
CC1=CC=C2OC=C(CC(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=C1	REAL300019663782	0	39	-1.0	-51.55	340.43	6.60	-44.95
CC1=CC=C2OC=C(CC(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=C1	REAL300019663782	1	39	-1.0	-51.65	340.20	6.60	-45.05
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1	REAL300019663783	0	37	-1.0	-48.85	329.52	5.70	-43.15
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1	REAL300019663783	1	37	-1.0	-48.35	329.84	5.71	-42.64
CCCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1	REAL300019663784	0	42	-1.0	-45.75	364.78	8.09	-37.66
CCCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1	REAL300019663784	1	42	-1.0	-45.72	364.82	8.08	-37.64
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1C1=NN(C)C=C1	REAL300019663785	0	44	-1.0	-53.03	374.17	7.23	-45.80
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1C1=NN(C)C=C1	REAL300019663785	1	44	-1.0	-53.03	374.12	7.24	-45.79
CC(C)C1=NC=CN1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663786	0	39	-1.0	-53.46	333.73	5.46	-48.00
CC(C)C1=NC=CN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663786	1	39	-1.0	-53.46	333.77	5.45	-48.01
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663786	1	40	0.0	-64.88	332.24	6.03	-58.85
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663787	0	50	-1.0	-49.64	397.33	3.20	-46.44
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663787	1	50	-1.0	-49.70	397.39	3.20	-46.50
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CN(C2CCOC2)C1	REAL300019663788	0	40	-1.0	-49.10	329.20	0.75	-48.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH+](C2CCOC2)C1	REAL300019663788	1	41	0.0	-77.84	333.13	3.68	-74.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CN(C2CCOC2)C1	REAL300019663788	1	40	-1.0	-49.12	329.25	0.74	-48.38
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663789	0	40	-1.0	-52.26	347.10	7.96	-44.30
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663789	1	40	-1.0	-52.26	347.14	7.95	-44.31
COC1=CC=C([C@]2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@H](O)C2)C=C1	REAL300019663790	0	45	-1.0	-47.10	374.74	3.06	-44.04
COC1=CC=C([C@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@H](O)C2)C=C1	REAL300019663790	1	45	-1.0	-46.34	373.60	3.04	-43.30
O=C(CN1CSCCSC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663791	0	37	-1.0	-47.75	325.52	3.39	-44.36
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC[NH+](CCC1)C2	REAL300019663792	0	43	0.0	-69.81	323.88	5.51	-64.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC[NH+](CCC1)C2	REAL300019663792	1	43	0.0	-69.82	324.14	5.49	-64.33
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COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Br	REAL300019663840	0	34	-1.0	-45.98	316.37	4.84	-41.14
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Br	REAL300019663840	1	34	-1.0	-46.02	316.42	4.85	-41.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CC3=CC=CC=C3C21	REAL300019663841	0	38	-1.0	-44.98	325.62	7.45	-37.53
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CC3=CC=CC=C3C21	REAL300019663841	1	38	-1.0	-45.01	325.67	7.44	-37.57
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OC(F)(F)F	REAL300019663842	0	37	-1.0	-44.36	332.46	5.44	-38.92
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1OC(F)(F)F	REAL300019663842	1	37	-1.0	-44.38	332.50	5.44	-38.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1COC2=CC(F)=CC=C2C1	REAL300019663843	0	38	-1.0	-45.63	327.35	5.50	-40.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1COC2=CC(F)=CC=C2C1	REAL300019663843	1	38	-1.0	-45.40	327.71	5.50	-39.90
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(S(C)(=O)=O)O1	REAL300019663844	0	36	-1.0	-52.75	331.18	1.29	-51.46
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(S(C)(=O)=O)O1	REAL300019663844	1	36	-1.0	-52.77	331.22	1.28	-51.49
CC1=CC=CC=C1COC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663845	0	43	-1.0	-51.21	361.23	7.28	-43.93
CC1=CC=CC=C1COC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663845	1	43	-1.0	-51.21	361.27	7.28	-43.93
CSC1=CC(C)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019663846	0	34	-1.0	-43.26	311.84	4.77	-38.49
CSC1=CC(C)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663846	1	34	-1.0	-43.30	311.87	4.78	-38.52
COC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2(CCC2)C1	REAL300019663847	0	43	-1.0	-44.31	354.30	6.43	-37.88
COC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CCC2)C1	REAL300019663847	1	43	-1.0	-44.32	354.33	6.42	-37.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300019663848	0	39	-1.0	-46.83	325.82	5.80	-41.03
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300019663848	1	39	-1.0	-46.82	325.87	5.80	-41.02
CC(C)C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663849	0	39	-1.0	-46.58	326.68	6.79	-39.79
CC(C)C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663849	1	39	-1.0	-46.55	326.72	6.79	-39.76
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(C(F)(F)F)=C1	REAL300019663850	0	30	-1.0	-47.25	298.39	5.02	-42.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(C(F)(F)F)=C1	REAL300019663850	1	30	-1.0	-47.26	298.44	5.01	-42.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019663851	0	43	-1.0	-47.22	350.80	7.91	-39.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019663851	1	43	-1.0	-47.17	350.84	7.91	-39.26
COCCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663852	0	40	-1.0	-49.08	348.27	3.34	-45.74
COCCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663852	1	40	-1.0	-49.11	348.23	3.35	-45.76
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1C1CCOCC1	REAL300019663853	0	44	-1.0	-48.39	366.06	4.21	-44.18
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C1CCOCC1	REAL300019663853	1	44	-1.0	-48.44	366.11	4.20	-44.24
CN1C=C(N2CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2=O)C=N1	REAL300019663854	0	41	-1.0	-52.23	351.97	3.67	-48.56
CN1C=C(N2CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC2=O)C=N1	REAL300019663854	1	41	-1.0	-52.24	351.93	3.66	-48.58
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC=C1	REAL300019663855	0	38	-1.0	-47.28	321.29	5.06	-42.22
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC=C1	REAL300019663855	1	38	-1.0	-47.29	321.33	5.06	-42.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=CSC2=CN=C1	REAL300019663856	0	32	-1.0	-46.35	294.44	4.42	-41.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=CSC2=CN=C1	REAL300019663856	1	32	-1.0	-46.35	294.40	4.43	-41.92
CCOC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300019663857	0	41	-1.0	-42.84	324.13	2.46	-40.38
CCOC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300019663857	1	41	-1.0	-42.81	324.21	2.45	-40.36
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663858	0	37	-1.0	-51.38	349.17	7.05	-44.33
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663858	1	37	-1.0	-51.32	349.22	7.04	-44.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019663859	0	39	-1.0	-52.39	344.19	5.31	-47.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019663859	1	39	-1.0	-52.36	344.14	5.30	-47.06
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300019663860	0	36	-1.0	-44.37	344.17	7.31	-37.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300019663860	1	36	-1.0	-44.39	344.21	7.30	-37.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Br)N=C2COCCN21	REAL300019663861	0	35	-1.0	-48.64	317.58	3.18	-45.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Br)N=C2COCCN21	REAL300019663861	1	35	-1.0	-48.66	317.62	3.17	-45.49
CC1=CC=CC=C1COCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663862	0	40	-1.0	-51.83	341.78	6.57	-45.26
CC1=CC=CC=C1COCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663862	1	40	-1.0	-51.82	341.83	6.56	-45.26
CC1=CC=CC(COCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663863	0	40	-1.0	-51.18	347.02	6.55	-44.63
CC1=CC=CC(COCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663863	1	40	-1.0	-51.19	347.06	6.54	-44.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2SC=CC2=CC=N1	REAL300019663864	0	32	-1.0	-47.71	298.33	4.54	-43.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2SC=CC2=CC=N1	REAL300019663864	1	32	-1.0	-47.74	298.29	4.54	-43.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300019663865	0	41	-1.0	-50.41	357.75	5.96	-44.45
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300019663865	1	41	-1.0	-50.33	358.06	5.95	-44.38
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019663866	0	39	-1.0	-61.54	323.49	3.71	-57.83
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019663866	1	39	-1.0	-61.35	323.58	3.68	-57.67
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663867	0	36	-2.0	-86.80	335.42	1.00	-85.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663867	1	36	-2.0	-86.80	335.38	1.00	-85.80
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663867	1	37	-1.0	-53.72	335.49	1.14	-52.58
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663867	1	37	-1.0	-53.71	335.44	1.14	-52.57
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663868	0	33	-1.0	-58.45	305.96	3.84	-54.61
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663868	1	33	-1.0	-58.41	306.00	3.83	-54.58
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CC(=O)NC=C21	REAL300019663869	0	36	-1.0	-51.32	313.66	4.11	-47.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CC(=O)NC=C21	REAL300019663869	1	36	-1.0	-51.30	313.69	4.09	-47.21
CC1=CN2C=CN=C2C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663870	0	36	-1.0	-49.42	313.54	6.67	-42.75
CC1=CN2C=CN=C2C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663870	1	36	-1.0	-49.41	313.49	6.68	-42.73
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(SC(F)(F)F)N=C1	REAL300019663871	0	33	-1.0	-45.18	321.43	5.13	-40.05
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(SC(F)(F)F)N=C1	REAL300019663871	1	33	-1.0	-45.24	321.38	5.14	-40.10
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC(N2CCOCC2)=N1	REAL300019663872	0	41	-1.0	-44.37	347.31	3.34	-41.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC(N2CCOCC2)=N1	REAL300019663872	1	41	-1.0	-44.42	347.27	3.34	-41.08
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019663873	0	47	-1.0	-53.70	382.97	3.62	-50.08
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663873	1	47	-1.0	-53.68	383.01	3.61	-50.07
CC1=CC=C(COCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019663874	0	40	-1.0	-51.11	347.01	6.56	-44.55
CC1=CC=C(COCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019663874	1	40	-1.0	-51.11	347.06	6.55	-44.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(C=C1Br)OCO2	REAL300019663875	0	33	-1.0	-46.11	308.77	4.19	-41.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(C=C1Br)OCO2	REAL300019663875	1	33	-1.0	-46.09	308.81	4.20	-41.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C(F)F)=CC=C1F	REAL300019663876	0	33	-1.0	-49.64	303.22	5.84	-43.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C(F)F)=CC=C1F	REAL300019663876	1	33	-1.0	-49.61	303.26	5.84	-43.77
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019663877	0	44	-1.0	-51.07	364.46	5.76	-45.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019663877	1	44	-1.0	-51.08	364.52	5.75	-45.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019663878	0	37	-1.0	-50.32	333.99	6.00	-44.32
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019663878	1	37	-1.0	-50.35	333.95	6.01	-44.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019663879	0	32	-1.0	-46.78	313.22	4.92	-41.86
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019663879	1	32	-1.0	-46.77	313.18	4.92	-41.85
COC1=CC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(OC)=C1O	REAL300019663880	0	45	-1.0	-50.20	382.02	3.39	-46.81
COC1=CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(OC)=C1O	REAL300019663880	1	45	-1.0	-50.19	382.05	3.38	-46.81
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663881	0	40	-1.0	-48.28	348.16	4.84	-43.44
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663881	1	40	-1.0	-48.32	348.20	4.84	-43.48
COC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019663882	0	37	-1.0	-47.74	310.06	4.98	-42.76
COC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019663882	1	37	-1.0	-47.73	310.10	4.97	-42.76
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300019663883	0	46	-1.0	-48.07	382.54	8.95	-39.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300019663883	1	46	-1.0	-48.06	382.96	8.89	-39.17
CCC1=CNC(=O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663884	0	36	-1.0	-52.75	311.31	3.54	-49.21
CCC1=CNC(=O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663884	1	36	-1.0	-52.78	311.35	3.54	-49.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(O)CC1=CC=CC=C1	REAL300019663885	0	37	-1.0	-47.01	322.56	4.20	-42.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(O)CC1=CC=CC=C1	REAL300019663885	1	37	-1.0	-47.00	322.61	4.19	-42.81
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663886	0	55	0.0	-77.56	433.11	9.91	-67.65
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663886	1	55	0.0	-78.26	433.34	9.83	-68.43
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663886	1	55	0.0	-77.57	433.06	9.93	-67.64
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663886	1	55	0.0	-78.24	433.30	9.84	-68.40
CN1N=CC(Cl)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663887	0	30	-1.0	-44.33	289.08	3.06	-41.27
CN1N=CC(Cl)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663887	1	30	-1.0	-44.32	289.09	3.07	-41.25
CC1=CC(F)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019663888	0	33	-1.0	-47.92	303.87	5.54	-42.38
CC1=CC(F)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019663888	1	33	-1.0	-47.97	304.20	5.52	-42.45
CC1=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=C1	REAL300019663889	0	39	-1.0	-47.95	333.95	6.90	-41.05
CC1=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=C1	REAL300019663889	1	39	-1.0	-47.97	333.99	6.89	-41.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019663890	0	40	-1.0	-46.17	358.39	5.37	-40.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019663890	1	40	-1.0	-46.17	358.35	5.37	-40.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(N2CCCC2)=C1	REAL300019663891	0	42	-1.0	-48.04	344.14	5.42	-42.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(N2CCCC2)=C1	REAL300019663891	1	42	-1.0	-48.02	344.18	5.41	-42.61
COC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1OC(C)C	REAL300019663892	0	44	-1.0	-50.51	360.20	6.78	-43.73
COC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1OC(C)C	REAL300019663892	1	44	-1.0	-50.49	360.24	6.77	-43.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=CC=C(Br)N2N=C1	REAL300019663893	0	33	-1.0	-49.23	315.23	5.14	-44.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=CC=C(Br)N2N=C1	REAL300019663893	1	33	-1.0	-49.23	315.18	5.15	-44.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019663894	0	40	-1.0	-48.83	359.22	5.26	-43.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019663894	1	40	-1.0	-48.82	359.18	5.26	-43.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019663895	0	41	-1.0	-52.19	350.95	5.38	-46.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019663895	1	41	-1.0	-52.22	350.99	5.38	-46.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019663896	0	41	-1.0	-48.55	351.80	5.40	-43.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019663896	1	41	-1.0	-48.59	351.74	5.40	-43.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2CC(=O)NC2=NC=C1	REAL300019663897	0	34	-1.0	-49.93	301.91	2.57	-47.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2CC(=O)NC2=NC=C1	REAL300019663897	1	34	-1.0	-49.94	301.94	2.57	-47.37
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019663898	0	36	-1.0	-54.34	334.28	6.41	-47.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019663898	1	36	-1.0	-54.35	334.24	6.41	-47.94
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)[C@@H]2C1	REAL300019663899	0	51	-1.0	-47.54	406.09	6.17	-41.37
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)[C@@H]2C1	REAL300019663899	1	51	-1.0	-47.55	406.13	6.16	-41.39
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019663900	0	37	-1.0	-45.82	341.24	5.10	-40.72
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663900	1	37	-1.0	-45.78	341.29	5.10	-40.68
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019663901	0	46	-1.0	-46.00	377.12	8.41	-37.59
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019663901	1	46	-1.0	-45.99	377.16	8.40	-37.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019663902	0	30	-1.0	-47.09	298.10	5.28	-41.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019663902	1	30	-1.0	-47.07	298.15	5.27	-41.80
CCN1N=CC(Cl)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663903	0	33	-1.0	-44.12	310.68	3.94	-40.18
CCN1N=CC(Cl)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663903	1	33	-1.0	-43.86	310.80	3.93	-39.93
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019663904	0	36	-1.0	-43.29	325.53	4.31	-38.98
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663904	1	36	-1.0	-43.30	325.58	4.30	-39.00
COC(=O)C1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300019663905	0	36	-1.0	-56.55	327.88	3.70	-52.85
COC(=O)C1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300019663905	1	36	-1.0	-56.56	327.84	3.70	-52.86
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663906	0	55	-1.0	-45.25	429.08	5.18	-40.07
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663906	1	55	-1.0	-45.21	429.13	5.17	-40.04
C[C@@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)NC(=O)OC(C)(C)C	REAL300019663907	0	46	-1.0	-54.18	376.70	3.64	-50.54
C[C@@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)NC(=O)OC(C)(C)C	REAL300019663907	1	46	-1.0	-54.22	376.74	3.63	-50.59
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019663908	0	48	-1.0	-48.64	392.80	4.33	-44.31
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019663908	1	48	-1.0	-48.60	392.84	4.32	-44.28
CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CC=CO2)=N1	REAL300019663909	0	37	-1.0	-55.80	329.93	5.32	-50.48
CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CC=CO2)=N1	REAL300019663909	1	37	-1.0	-55.84	329.90	5.34	-50.50
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019663910	0	35	-1.0	-48.83	323.58	1.18	-47.65
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663910	1	35	-1.0	-48.84	323.63	1.17	-47.67
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC(S(N)(=O)=O)=C1	REAL300019663911	0	35	-1.0	-48.72	324.92	-1.40	-50.12
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC(S(N)(=O)=O)=C1	REAL300019663911	1	35	-1.0	-48.69	324.96	-1.41	-50.10
CSC1=CC=C(O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663912	0	35	-1.0	-47.25	315.18	4.34	-42.91
CSC1=CC=C(O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663912	1	35	-1.0	-47.36	315.52	4.35	-43.01
CCCCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL300019663913	0	44	-1.0	-45.33	346.02	6.61	-38.72
CCCCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL300019663913	1	44	-1.0	-45.34	345.92	6.61	-38.73
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663914	0	48	-1.0	-55.45	385.59	6.62	-48.83
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663914	1	48	-1.0	-55.45	385.63	6.60	-48.85
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663915	0	40	-1.0	-56.42	351.85	6.14	-50.28
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019663915	1	40	-1.0	-56.44	351.81	6.15	-50.29
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019663916	0	49	-1.0	-46.38	364.48	9.04	-37.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019663916	1	49	-1.0	-46.41	364.52	9.05	-37.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019663917	0	34	-1.0	-45.11	314.80	3.33	-41.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019663917	1	34	-1.0	-45.10	314.85	3.32	-41.78
CC1=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1C1=CC=CC=C1	REAL300019663918	0	47	-1.0	-50.60	397.61	9.55	-41.05
CC1=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1C1=CC=CC=C1	REAL300019663918	1	47	-1.0	-50.62	397.66	9.55	-41.07
CC1=CC=CC(N2C=NC3=CC(C(=O)NC4=CC=C(C5=NN=N[N-]5)C=C4)=CC=C32)=C1	REAL300019663919	0	46	-1.0	-51.90	394.54	10.20	-41.70
CC1=CC=CC(N2C=NC3=CC(C(=O)NC4=CC=C(C5=N[N-]N=N5)C=C4)=CC=C32)=C1	REAL300019663919	1	46	-1.0	-51.86	394.50	10.19	-41.67
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C21	REAL300019663920	0	38	-1.0	-44.66	339.17	4.46	-40.20
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C21	REAL300019663920	1	38	-1.0	-44.74	338.91	4.47	-40.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=CC(F)=CC=C21	REAL300019663921	0	37	-1.0	-46.55	319.00	6.73	-39.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=CC(F)=CC=C21	REAL300019663921	1	37	-1.0	-46.35	318.69	6.73	-39.62
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019663922	0	43	-1.0	-46.60	357.46	8.13	-38.47
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300019663922	1	43	-1.0	-46.61	357.50	8.12	-38.49
CCOCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663923	0	40	-1.0	-47.14	348.63	3.53	-43.61
CCOCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663923	1	40	-1.0	-47.13	348.59	3.54	-43.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300019663924	0	41	-1.0	-45.40	357.89	6.25	-39.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300019663924	1	41	-1.0	-45.45	356.91	6.17	-39.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)(F)F)SC=C1	REAL300019663925	0	30	-1.0	-50.15	291.27	5.01	-45.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)(F)F)SC=C1	REAL300019663925	1	30	-1.0	-50.19	291.31	5.00	-45.19
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663926	0	44	-1.0	-45.35	362.61	4.29	-41.06
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663926	1	44	-1.0	-45.30	362.65	4.28	-41.02
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663927	0	49	-1.0	-47.59	392.67	1.78	-45.81
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663927	1	49	-1.0	-48.46	392.40	1.79	-46.67
CN1N=C(Cl)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019663928	0	30	-1.0	-45.55	306.44	3.37	-42.18
CN1N=C(Cl)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019663928	1	30	-1.0	-45.53	306.40	3.38	-42.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1CC1=CC=CC=C1	REAL300019663929	0	46	-1.0	-48.06	374.58	8.68	-39.38
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1CC1=CC=CC=C1	REAL300019663929	1	46	-1.0	-48.08	374.63	8.67	-39.41
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019663930	0	43	-1.0	-46.27	369.62	7.28	-38.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019663930	1	43	-1.0	-46.30	369.58	7.29	-39.01
CN1C=C(Cl)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019663931	0	30	-1.0	-48.59	287.00	3.22	-45.37
CN1C=C(Cl)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019663931	1	30	-1.0	-48.57	286.96	3.23	-45.34
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCCC2)CCNC1=O	REAL300019663932	0	44	-1.0	-52.71	343.82	3.01	-49.70
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCCC2)CCNC1=O	REAL300019663932	1	44	-1.0	-52.71	343.86	3.00	-49.71
CCOC1=CC=CC(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663933	0	41	-1.0	-48.54	352.34	6.31	-42.23
CCOC1=CC=CC(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663933	1	41	-1.0	-48.54	352.39	6.30	-42.24
COC1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019663934	0	38	-1.0	-47.69	330.45	5.39	-42.30
COC1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019663934	1	38	-1.0	-47.66	330.48	5.38	-42.28
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663935	0	33	-1.0	-49.83	313.71	6.13	-43.70
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663935	1	33	-1.0	-49.87	313.48	6.13	-43.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)SC=C1	REAL300019663936	0	27	-1.0	-47.48	271.54	4.42	-43.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)SC=C1	REAL300019663936	1	27	-1.0	-47.48	271.58	4.41	-43.07
CC1(C)CC1(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019663937	0	43	-1.0	-45.83	352.44	7.69	-38.14
CC1(C)CC1(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019663937	1	43	-1.0	-45.84	352.44	7.69	-38.15
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663938	0	37	-1.0	-48.17	343.58	5.77	-42.40
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663938	1	37	-1.0	-48.18	343.63	5.76	-42.42
CC(=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CS1	REAL300019663939	0	34	-1.0	-44.10	309.48	5.96	-38.14
CC(=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CS1	REAL300019663939	1	34	-1.0	-44.08	309.52	5.95	-38.13
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1C(F)(F)F	REAL300019663940	0	30	-1.0	-51.25	291.02	4.90	-46.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1C(F)(F)F	REAL300019663940	1	30	-1.0	-51.25	291.06	4.90	-46.35
CCCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019663941	0	42	-1.0	-46.63	360.62	8.50	-38.13
CCCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019663941	1	42	-1.0	-46.63	360.67	8.50	-38.13
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663942	0	47	-1.0	-48.01	388.90	4.66	-43.35
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663942	1	47	-1.0	-48.03	388.94	4.65	-43.38
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663943	0	40	-1.0	-51.45	342.83	3.70	-47.75
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663943	1	40	-1.0	-51.49	342.79	3.70	-47.79
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019663944	0	36	-1.0	-57.17	323.49	1.42	-55.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019663944	1	36	-1.0	-57.20	323.53	1.41	-55.79
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300019663945	0	54	-1.0	-44.24	396.60	8.42	-35.82
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300019663945	1	54	-1.0	-44.23	396.63	8.43	-35.80
CCOCCOCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663946	0	43	-1.0	-51.42	363.63	3.62	-47.80
CCOCCOCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663946	1	43	-1.0	-51.43	363.68	3.61	-47.82
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663947	0	38	-1.0	-49.66	345.12	3.94	-45.72
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663947	1	38	-1.0	-49.69	345.17	3.94	-45.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019663948	0	39	-1.0	-49.85	355.03	5.28	-44.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019663948	1	39	-1.0	-49.87	355.07	5.27	-44.60
COC1=CC=CC(C(OC)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663949	0	41	-1.0	-47.57	352.62	4.92	-42.65
COC1=CC=CC(C(OC)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663949	1	41	-1.0	-47.57	352.66	4.91	-42.66
COCCOCCOCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663950	0	47	-1.0	-52.87	397.26	2.98	-49.89
COCCOCCOCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663950	1	47	-1.0	-52.88	397.30	2.98	-49.90
COC1=CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1OC	REAL300019663951	0	44	-1.0	-49.76	370.96	6.41	-43.35
COC1=CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1OC	REAL300019663951	1	44	-1.0	-49.75	371.00	6.39	-43.36
CSC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL300019663952	0	34	-1.0	-43.96	312.31	4.91	-39.05
CSC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL300019663952	1	34	-1.0	-43.94	312.35	4.90	-39.04
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663953	0	42	-1.0	-63.66	341.40	3.68	-59.98
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663953	1	42	-1.0	-63.64	341.36	3.70	-59.94
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019663954	0	43	-2.0	-106.71	375.80	5.87	-100.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019663954	1	43	-2.0	-106.73	375.84	5.86	-100.87
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663955	0	37	-1.0	-62.58	327.75	1.02	-61.56
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663955	1	37	-1.0	-62.56	327.79	1.02	-61.54
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(N2C=CC=C2)S1	REAL300019663956	0	38	-1.0	-48.60	340.65	7.80	-40.80
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(N2C=CC=C2)S1	REAL300019663956	1	38	-1.0	-48.62	340.70	7.79	-40.83
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019663957	0	36	-2.0	-100.64	323.22	4.68	-95.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019663957	1	36	-2.0	-100.66	323.17	4.67	-95.99
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019663957	1	36	-2.0	-100.45	323.32	4.69	-95.76
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019663957	1	36	-2.0	-100.43	323.27	4.69	-95.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019663958	0	33	-2.0	-77.73	309.73	1.54	-76.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019663958	1	33	-2.0	-77.67	309.78	1.55	-76.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019663958	1	33	-2.0	-77.72	309.66	1.54	-76.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019663958	1	33	-2.0	-77.71	309.71	1.55	-76.16
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663959	0	42	-1.0	-58.94	376.56	4.52	-54.42
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663959	1	42	-1.0	-58.95	376.51	4.53	-54.42
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663960	0	36	-1.0	-46.51	352.57	2.50	-44.01
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663960	1	36	-1.0	-46.53	352.53	2.50	-44.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC=C1C(F)(F)F	REAL300019663961	0	30	-1.0	-50.24	285.65	2.42	-47.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC=C1C(F)(F)F	REAL300019663961	1	30	-1.0	-50.22	285.70	2.41	-47.81
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663962	0	36	-1.0	-52.86	318.21	5.25	-47.61
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663962	1	36	-1.0	-52.83	318.25	5.24	-47.59
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663963	0	36	-2.0	-91.84	325.16	0.08	-91.76
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663963	1	36	-2.0	-91.88	325.20	0.07	-91.81
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)=N1	REAL300019663964	0	42	-1.0	-50.40	360.06	5.93	-44.47
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)=N1	REAL300019663964	1	42	-1.0	-50.34	360.02	5.94	-44.40
CC1=NOC(C2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC2)=C1	REAL300019663965	0	36	-1.0	-47.92	319.14	5.06	-42.86
CC1=NOC(C2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)=C1	REAL300019663965	1	36	-1.0	-47.88	319.23	5.05	-42.83
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663966	0	44	-1.0	-46.14	362.88	4.63	-41.51
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663966	1	44	-1.0	-46.14	362.92	4.63	-41.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2CCC[N@@H+]21	REAL300019663967	0	43	0.0	-62.48	331.03	6.14	-56.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2CCC[N@H+]21	REAL300019663967	1	43	0.0	-66.20	322.80	5.85	-60.35
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)(C)C1(C)C	REAL300019663968	0	54	-1.0	-43.61	415.87	7.88	-35.73
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)(C)C1(C)C	REAL300019663968	1	54	-1.0	-43.57	415.91	7.88	-35.69
CC1CN(C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019663969	0	39	-1.0	-47.79	322.62	2.00	-45.79
CC1CN(C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663969	1	39	-1.0	-47.86	322.67	1.99	-45.87
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663969	1	40	0.0	-82.27	325.01	4.41	-77.86
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663969	1	40	0.0	-80.92	325.63	4.40	-76.52
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300019663970	0	41	-1.0	-45.38	352.86	2.82	-42.56
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300019663970	1	41	-1.0	-45.39	352.90	2.81	-42.58
CN1C=NC2=CN=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C21	REAL300019663971	0	35	-1.0	-46.78	300.29	4.42	-42.36
CN1C=NC2=CN=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C21	REAL300019663971	1	35	-1.0	-46.76	300.25	4.42	-42.34
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663972	0	42	0.0	-73.50	330.32	5.64	-67.86
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663972	1	42	0.0	-69.08	328.15	5.33	-63.75
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663972	1	42	0.0	-73.47	330.28	5.65	-67.82
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663972	1	42	0.0	-69.05	328.10	5.35	-63.70
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCN1C1=NC=CC=N1	REAL300019663973	0	40	-1.0	-47.30	330.44	3.44	-43.86
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCN1C1=NC=CC=N1	REAL300019663973	1	40	-1.0	-47.27	330.36	3.45	-43.82
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(I)=NN1	REAL300019663974	0	30	-1.0	-45.93	299.93	2.73	-43.20
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(I)=NN1	REAL300019663974	1	30	-1.0	-45.94	299.97	2.72	-43.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019663975	0	39	-1.0	-51.37	337.76	6.04	-45.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019663975	1	39	-1.0	-51.39	337.80	6.04	-45.35
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663976	0	38	-1.0	-49.27	336.03	0.95	-48.32
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663976	1	38	-1.0	-49.29	336.08	0.94	-48.35
CC(C)N1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2CCOCC2)=N1	REAL300019663977	0	50	-1.0	-49.57	403.85	5.44	-44.13
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CC1=CC=C(C(=O)C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019664003	1	39	-1.0	-45.70	344.96	6.66	-39.04
CC1=CN(C(C)(C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019664004	0	39	-1.0	-52.27	327.39	5.70	-46.57
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CC1=CC=CC=C1NC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CS1	REAL300019664007	1	41	-1.0	-46.00	359.37	5.54	-40.46
CCN1C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN=C1Br	REAL300019664008	0	33	-1.0	-44.46	308.81	4.68	-39.78
CCN1C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN=C1Br	REAL300019664008	1	33	-1.0	-44.49	308.77	4.69	-39.80
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CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=NO2	REAL300019664014	0	49	-1.0	-45.35	410.61	3.62	-41.73
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=NO2	REAL300019664014	1	49	-1.0	-45.40	410.65	3.60	-41.80
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CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019664017	0	53	-1.0	-50.57	418.20	4.95	-45.62
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019664017	1	53	-1.0	-50.54	418.24	4.94	-45.60
CC(=CC1=CC=C(Br)O1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664018	0	34	-1.0	-44.32	317.39	5.82	-38.50
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CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664024	0	46	-1.0	-54.19	390.93	8.92	-45.27
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664024	1	46	-1.0	-54.14	390.97	8.92	-45.22
O=CC1=CC(Br)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019664025	0	32	-1.0	-45.93	311.04	5.23	-40.70
O=CC1=CC(Br)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019664025	1	32	-1.0	-45.90	311.09	5.23	-40.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019664026	0	37	-1.0	-47.07	324.55	-0.22	-47.29
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019664026	1	37	-1.0	-47.07	324.51	-0.22	-47.29
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019664027	0	41	-1.0	-48.34	335.21	4.86	-43.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019664027	1	41	-1.0	-48.33	335.25	4.87	-43.46
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1	REAL300019664028	0	46	-1.0	-50.83	399.91	3.03	-47.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1	REAL300019664028	1	46	-1.0	-50.84	399.94	3.03	-47.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)F)N=C2CCCCN21	REAL300019664029	0	40	-1.0	-50.44	334.98	5.95	-44.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)F)N=C2CCCCN21	REAL300019664029	1	40	-1.0	-50.42	335.04	5.94	-44.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2SC=CC2=C1	REAL300019664030	0	32	-1.0	-46.57	298.50	4.36	-42.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2SC=CC2=C1	REAL300019664030	1	32	-1.0	-46.58	298.46	4.36	-42.22
O=C(CC(F)(F)C(F)(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664031	0	29	-1.0	-48.79	281.05	3.88	-44.91
O=C(CC(F)(F)C(F)(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664031	1	29	-1.0	-48.82	281.09	3.88	-44.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(Cl)N=CC=C2O1	REAL300019664032	0	32	-1.0	-44.97	309.42	3.97	-41.00
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(Cl)N=CC=C2O1	REAL300019664032	1	32	-1.0	-44.97	309.38	3.98	-40.99
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664033	0	44	-1.0	-57.40	381.36	3.96	-53.44
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664033	1	44	-1.0	-57.41	381.41	3.95	-53.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC(C(F)(F)F)=N1	REAL300019664034	0	29	-1.0	-42.26	287.11	0.64	-41.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC(C(F)(F)F)=N1	REAL300019664034	1	29	-1.0	-42.28	287.07	0.66	-41.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=NC=C1F	REAL300019664035	0	29	-1.0	-45.45	277.85	3.10	-42.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=NC=C1F	REAL300019664035	1	29	-1.0	-45.48	277.81	3.11	-42.37
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN2C=C(Br)C=NC2=C1	REAL300019664036	0	32	-1.0	-45.55	314.00	4.28	-41.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN2C=C(Br)C=NC2=C1	REAL300019664036	1	32	-1.0	-45.56	313.96	4.29	-41.27
COC1=CC=C(C=O)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664037	0	36	-1.0	-52.26	316.95	5.10	-47.16
COC1=CC=C(C=O)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664037	1	36	-1.0	-52.23	316.99	5.10	-47.13
O=CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019664038	0	32	-1.0	-51.60	295.21	4.68	-46.92
O=CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019664038	1	32	-1.0	-51.60	295.26	4.68	-46.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSN=C1Cl	REAL300019664039	0	26	-1.0	-49.07	265.70	2.96	-46.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSN=C1Cl	REAL300019664039	1	26	-1.0	-49.08	265.66	2.97	-46.11
CS(=O)(=O)N1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664040	0	35	-1.0	-51.45	317.45	-0.21	-51.66
CS(=O)(=O)N1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664040	1	35	-1.0	-51.44	317.50	-0.20	-51.64
CC1(C2=CC=CC(Br)=C2)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664041	0	40	-1.0	-48.36	359.22	7.93	-40.43
CC1(C2=CC=CC(Br)=C2)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664041	1	40	-1.0	-48.38	359.28	7.93	-40.45
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300019664042	0	43	-1.0	-45.49	375.04	6.43	-39.06
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300019664042	1	43	-1.0	-45.48	375.00	6.43	-39.05
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664043	0	42	-1.0	-45.40	369.42	4.54	-40.86
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664043	1	42	-1.0	-45.46	369.47	4.53	-40.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1Cl	REAL300019664044	0	27	-1.0	-48.53	271.55	4.35	-44.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1Cl	REAL300019664044	1	27	-1.0	-48.56	271.60	4.34	-44.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019664045	0	41	-1.0	-47.73	336.31	4.85	-42.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019664045	1	41	-1.0	-47.76	336.35	4.84	-42.92
CC1=NC(C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)S2)=CS1	REAL300019664046	0	36	-1.0	-46.25	346.52	5.45	-40.80
CC1=NC(C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)S2)=CS1	REAL300019664046	1	36	-1.0	-46.21	346.20	5.47	-40.74
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664047	0	46	-1.0	-50.54	396.10	7.14	-43.40
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664047	1	46	-1.0	-50.55	396.15	7.13	-43.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019664048	0	44	-1.0	-51.61	369.49	7.60	-44.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019664048	1	44	-1.0	-51.62	369.53	7.59	-44.03
CCC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)(C)C	REAL300019664049	0	44	-1.0	-45.24	332.51	5.94	-39.30
CCC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)(C)C	REAL300019664049	1	44	-1.0	-45.25	332.54	5.93	-39.32
CCC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664050	0	36	-1.0	-43.72	307.22	6.38	-37.34
CCC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664050	1	36	-1.0	-43.71	307.27	6.37	-37.34
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664051	0	42	-1.0	-55.36	357.48	1.51	-53.85
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664051	1	42	-1.0	-55.38	357.52	1.51	-53.87
COCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL300019664052	0	34	-1.0	-47.07	308.38	3.66	-43.41
COCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL300019664052	1	34	-1.0	-47.11	308.13	3.67	-43.44
CN1C=CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019664053	0	37	-1.0	-48.62	320.16	6.64	-41.98
CN1C=CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019664053	1	37	-1.0	-48.63	320.21	6.64	-41.99
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019664054	0	42	-1.0	-48.50	356.71	6.93	-41.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019664054	1	42	-1.0	-48.45	356.68	6.94	-41.51
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCCCO2)CCC1	REAL300019664055	0	44	-1.0	-47.90	341.05	6.24	-41.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCCCO2)CCC1	REAL300019664055	1	44	-1.0	-47.92	341.09	6.23	-41.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019664056	0	42	-1.0	-48.75	361.53	7.86	-40.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019664056	1	42	-1.0	-48.80	361.57	7.85	-40.95
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019664057	0	41	-1.0	-57.31	357.44	6.42	-50.89
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019664057	1	41	-1.0	-57.33	357.40	6.43	-50.90
COC1=CC=C(F)C(OC)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664058	0	38	-1.0	-50.66	337.50	3.73	-46.93
COC1=CC=C(F)C(OC)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664058	1	38	-1.0	-50.60	337.56	3.72	-46.88
COC1=CC=NC(OC)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664059	0	37	-1.0	-50.48	326.55	0.88	-49.60
COC1=CC=NC(OC)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664059	1	37	-1.0	-50.45	326.51	0.88	-49.57
COC(=O)C1=NN(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019664060	0	36	-1.0	-45.47	323.56	3.17	-42.30
COC(=O)C1=NN(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019664060	1	36	-1.0	-45.47	323.52	3.18	-42.29
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[C@H]1C	REAL300019664061	0	40	-1.0	-53.16	343.62	4.97	-48.19
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@H]1C	REAL300019664061	1	40	-1.0	-53.16	343.67	4.96	-48.20
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019664062	0	51	-1.0	-46.27	414.45	9.10	-37.17
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019664062	1	51	-1.0	-46.23	414.55	9.12	-37.11
COC1=CC=CC=C1NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019664063	0	46	-1.0	-47.38	385.38	6.63	-40.75
COC1=CC=CC=C1NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019664063	1	46	-1.0	-47.34	385.42	6.62	-40.72
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664064	0	31	-1.0	-44.74	308.27	5.81	-38.93
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664064	1	31	-1.0	-44.80	308.31	5.80	-39.00
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664065	0	38	-1.0	-49.89	345.88	5.94	-43.95
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664065	1	38	-1.0	-49.91	345.93	5.94	-43.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2CCOCC2)C=C1	REAL300019664066	0	41	-1.0	-46.47	344.58	3.52	-42.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2CCOCC2)C=C1	REAL300019664066	1	41	-1.0	-46.54	344.53	3.53	-43.01
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)OC2=O	REAL300019664067	0	43	-1.0	-45.30	344.00	5.43	-39.87
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)OC2=O	REAL300019664067	1	43	-1.0	-45.32	344.05	5.43	-39.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CC3=C(Br)C=CC=C3C21	REAL300019664068	0	38	-1.0	-49.58	338.75	7.91	-41.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CC3=C(Br)C=CC=C3C21	REAL300019664068	1	38	-1.0	-49.55	338.79	7.92	-41.63
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C2=CC=CC=C2)O1	REAL300019664069	0	40	-1.0	-45.47	347.55	7.44	-38.03
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C2=CC=CC=C2)O1	REAL300019664069	1	40	-1.0	-45.48	347.59	7.43	-38.05
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CNC(=O)C2=CC=CC=C21	REAL300019664070	0	38	-1.0	-57.53	326.50	3.24	-54.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CNC(=O)C2=CC=CC=C21	REAL300019664070	1	38	-1.0	-57.51	326.54	3.23	-54.28
O=C(CC1CCC(F)(F)CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664071	0	39	-1.0	-47.22	322.10	5.97	-41.25
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CC1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1C(F)(F)F	REAL300019664072	0	36	-1.0	-57.60	333.01	4.61	-52.99
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CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664077	1	44	-1.0	-48.72	365.97	-0.69	-49.41
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COC1=CC(CO)=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664080	1	38	-1.0	-51.63	326.66	2.67	-48.96
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COC1=CC(OC)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C=O	REAL300019664082	1	40	-1.0	-50.91	344.88	4.51	-46.40
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CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019664085	0	45	0.0	-67.93	335.73	6.20	-61.73
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CC1=NC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019664095	0	33	-1.0	-46.81	308.28	4.08	-42.73
CC1=NC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019664095	1	33	-1.0	-46.85	308.32	4.07	-42.78
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NC(=O)C1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019664098	0	36	-1.0	-54.15	322.98	0.62	-53.53
NC(=O)C1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019664098	1	36	-1.0	-54.15	322.94	0.63	-53.52
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CC1=C(C)C(=O)N(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300019664101	0	40	-1.0	-50.32	354.04	4.20	-46.12
CC1=C(C)C(=O)N(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300019664101	1	40	-1.0	-50.28	354.08	4.19	-46.09
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CCOC(=O)C1CCCN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664103	0	47	-1.0	-51.88	383.35	4.56	-47.32
CCOC(=O)C1CCCN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664103	1	47	-1.0	-51.85	383.42	4.56	-47.29
CCC(C)C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CC=C1C=O	REAL300019664104	0	45	-1.0	-49.48	359.10	6.31	-43.17
CCC(C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CC=C1C=O	REAL300019664104	1	45	-1.0	-49.47	359.10	6.31	-43.16
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CC1=C(C(F)(F)F)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL300019664106	0	33	-1.0	-48.92	301.21	2.86	-46.06
CC1=C(C(F)(F)F)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300019664106	1	33	-1.0	-48.88	301.25	2.86	-46.02
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CN1CCOC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019664109	0	40	-1.0	-47.74	331.54	3.48	-44.26
CN1CCOC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019664109	1	40	-1.0	-47.78	331.58	3.48	-44.30
CC1CCN2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N=C2C1	REAL300019664110	0	40	-1.0	-46.94	334.66	5.67	-41.27
CC1CCN2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N=C2C1	REAL300019664110	1	40	-1.0	-46.95	334.70	5.67	-41.28
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664111	0	46	0.0	-67.91	347.45	4.37	-63.54
CC(C)(CN1CCOCC1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664111	1	45	-1.0	-47.05	346.65	2.63	-44.42
CC(C)(CN1CCOCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664111	1	45	-1.0	-47.06	346.70	2.62	-44.44
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664112	0	44	0.0	-69.05	339.25	3.51	-65.54
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664112	1	44	0.0	-69.33	335.54	2.83	-66.50
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664112	1	44	0.0	-69.07	339.20	3.51	-65.56
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664112	1	44	0.0	-69.33	335.49	2.84	-66.49
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NC1=CC(F)=C(Cl)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666202	1	32	-1.0	-42.73	299.41	3.68	-39.05
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NC1=C(Br)C=C(Cl)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666203	1	32	-1.0	-42.25	312.42	4.33	-37.92
CC1=CN(C2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C(N)C=C2F)N=C1	REAL300019666204	0	42	-1.0	-44.79	360.14	4.96	-39.83
CC1=CN(C2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C(N)C=C2F)N=C1	REAL300019666204	1	42	-1.0	-44.79	360.10	4.97	-39.82
COC1=CC(N)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1S(C)(=O)=O	REAL300019666205	0	42	-1.0	-51.07	363.64	0.51	-50.56
COC1=CC(N)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1S(C)(=O)=O	REAL300019666205	1	42	-1.0	-51.07	363.68	0.50	-50.57
CC1=C(Br)C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1N	REAL300019666206	0	35	-1.0	-43.55	312.65	4.41	-39.14
CC1=C(Br)C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1N	REAL300019666206	1	35	-1.0	-43.59	312.70	4.40	-39.19
CC1=C(F)C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1N	REAL300019666207	0	35	-1.0	-43.97	299.90	3.92	-40.05
CC1=C(F)C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1N	REAL300019666207	1	35	-1.0	-43.97	299.94	3.92	-40.05
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(N)=C1Cl	REAL300019666208	0	35	-1.0	-45.04	310.09	4.27	-40.77
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(N)=C1Cl	REAL300019666208	1	35	-1.0	-45.00	310.13	4.26	-40.74
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(N)C=C1F	REAL300019666209	0	35	-1.0	-43.76	302.72	3.83	-39.93
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(N)C=C1F	REAL300019666209	1	35	-1.0	-43.78	302.76	3.83	-39.95
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666210	0	32	-1.0	-42.54	297.93	3.76	-38.78
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666210	1	32	-1.0	-42.52	297.97	3.76	-38.76
COC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(N)=C1F	REAL300019666211	0	36	-1.0	-48.07	311.91	2.51	-45.56
COC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(N)=C1F	REAL300019666211	1	36	-1.0	-48.10	311.96	2.52	-45.58
COC1=C(F)C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(N)=C1F	REAL300019666212	0	36	-1.0	-44.08	321.92	2.71	-41.37
COC1=C(F)C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(N)=C1F	REAL300019666212	1	36	-1.0	-44.02	321.97	2.70	-41.32
NC1=CC(Br)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1N	REAL300019666213	0	34	-1.0	-43.41	309.13	1.90	-41.51
NC1=CC(Br)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1N	REAL300019666213	1	34	-1.0	-43.43	309.17	1.89	-41.54
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666214	0	32	-1.0	-42.42	308.67	4.09	-38.33
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666214	1	32	-1.0	-42.42	308.71	4.08	-38.34
NC1=CC(Br)=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666215	0	32	-1.0	-42.66	303.57	3.78	-38.88
NC1=CC(Br)=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666215	1	32	-1.0	-42.67	303.61	3.77	-38.90
COC1=CC(Br)=C(N)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019666216	0	36	-1.0	-43.73	325.38	3.09	-40.64
COC1=CC(Br)=C(N)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019666216	1	36	-1.0	-43.73	325.42	3.09	-40.64
NC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CC(Cl)=C1F	REAL300019666217	0	32	-1.0	-44.99	298.55	3.72	-41.27
NC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CC(Cl)=C1F	REAL300019666217	1	32	-1.0	-44.99	298.59	3.71	-41.28
COC1=CC(N)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Br	REAL300019666218	0	36	-1.0	-44.29	325.82	3.12	-41.17
COC1=CC(N)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Br	REAL300019666218	1	36	-1.0	-44.27	325.85	3.11	-41.16
NC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CC(Br)=C1F	REAL300019666219	0	32	-1.0	-44.73	302.96	3.82	-40.91
NC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CC(Br)=C1F	REAL300019666219	1	32	-1.0	-44.77	303.00	3.81	-40.96
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666220	0	35	-1.0	-44.67	308.39	3.20	-41.47
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666220	1	35	-1.0	-44.68	308.43	3.19	-41.49
COC1=CC(OC)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(N)=C1Cl	REAL300019666221	0	40	-1.0	-47.31	355.77	1.93	-45.38
COC1=CC(OC)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(N)=C1Cl	REAL300019666221	1	40	-1.0	-47.33	355.81	1.92	-45.41
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C(Cl)=N1	REAL300019666222	0	29	-1.0	-41.89	300.06	4.15	-37.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)C(Cl)=N1	REAL300019666222	1	29	-1.0	-41.89	300.02	4.15	-37.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300019666223	0	35	-1.0	-49.26	326.25	5.54	-43.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300019666223	1	35	-1.0	-49.27	326.21	5.55	-43.72
C[NH+](C)CCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666224	0	39	0.0	-75.27	333.32	5.25	-70.02
C[NH+](C)CCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666224	1	39	0.0	-75.22	333.36	5.25	-69.97
O=C(CCC1=C(Br)SC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666225	0	33	-1.0	-45.51	321.62	5.95	-39.56
O=C(CCC1=C(Br)SC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666225	1	33	-1.0	-45.51	321.67	5.94	-39.57
CN1C=C(Br)C(=O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019666226	0	33	-1.0	-53.65	311.22	5.03	-48.62
CN1C=C(Br)C(=O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019666226	1	33	-1.0	-53.65	311.26	5.02	-48.63
CC(C)(C)OC1CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL300019666227	0	52	-1.0	-49.14	404.05	6.92	-42.22
CC(C)(C)OC1CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL300019666227	1	52	-1.0	-49.11	404.09	6.91	-42.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC(C1)CN2C1CC1	REAL300019666228	0	40	-1.0	-43.40	321.96	4.09	-39.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)CN2C1CC1	REAL300019666228	1	40	-1.0	-43.36	322.00	4.08	-39.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019666228	1	41	0.0	-67.54	322.03	5.98	-61.56
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019666228	1	41	0.0	-68.60	330.42	5.90	-62.70
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CC2=NNN=C2)CCOCC1	REAL300019666229	0	43	-1.0	-53.57	344.52	1.95	-51.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CC2=NNN=C2)CCOCC1	REAL300019666229	1	43	-1.0	-53.61	344.57	1.95	-51.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN=C2C(Br)=CC=CN12	REAL300019666230	0	32	-1.0	-46.77	310.32	5.75	-41.02
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN=C2C(Br)=CC=CN12	REAL300019666230	1	32	-1.0	-46.77	310.28	5.75	-41.02
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2=CC=CC=C2NC1=O	REAL300019666231	0	38	-1.0	-44.52	326.53	3.85	-40.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2=CC=CC=C2NC1=O	REAL300019666231	1	38	-1.0	-44.57	326.58	3.84	-40.73
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC=C(F)C=C21	REAL300019666232	0	37	-1.0	-45.89	324.29	5.60	-40.29
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC=C(F)C=C21	REAL300019666232	1	37	-1.0	-45.88	324.33	5.59	-40.29
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666233	0	37	-1.0	-47.39	326.94	6.81	-40.58
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666233	1	37	-1.0	-47.40	326.98	6.80	-40.60
O=C(C=CCOC1=CC=CC=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666234	0	38	-1.0	-49.14	333.95	5.81	-43.33
O=C(C=CCOC1=CC=CC=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666234	1	38	-1.0	-49.15	333.99	5.80	-43.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(CN2CCOCC2)C=CO1	REAL300019666235	0	43	-1.0	-46.07	358.74	2.30	-43.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(CN2CCOCC2)C=CO1	REAL300019666235	1	43	-1.0	-46.09	358.78	2.31	-43.78
O=C(CC1CC(=O)NC(=O)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666236	0	36	-1.0	-57.56	310.11	1.12	-56.44
O=C(CC1CC(=O)NC(=O)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666236	1	36	-1.0	-57.49	309.86	1.13	-56.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC2=NNC=C21	REAL300019666237	0	32	-1.0	-51.30	286.79	2.87	-48.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC2=NNC=C21	REAL300019666237	1	32	-1.0	-51.28	286.83	2.86	-48.42
O=C(CC1=CC=CC(F)=C1O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666238	0	34	-1.0	-48.98	307.23	2.85	-46.13
O=C(CC1=CC=CC(F)=C1O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666238	1	34	-1.0	-48.99	307.19	2.85	-46.14
CN1C(=S)NN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666239	0	30	-1.0	-44.33	284.72	3.56	-40.77
CN1C(=S)NN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666239	1	30	-1.0	-44.32	284.76	3.56	-40.76
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666239	1	29	-2.0	-79.63	280.13	3.43	-76.20
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666239	1	29	-2.0	-79.63	280.16	3.42	-76.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CC(O)CC(C2)C1	REAL300019666240	0	44	-1.0	-47.21	337.12	3.55	-43.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CC(O)CC(C2)C1	REAL300019666240	1	44	-1.0	-47.22	337.16	3.54	-43.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300019666241	0	29	-2.0	-78.79	304.70	2.14	-76.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300019666241	1	29	-2.0	-78.81	304.74	2.14	-76.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(N1)SC(Br)=N2	REAL300019666241	1	30	-1.0	-46.47	306.96	2.62	-43.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(N1)SC(Br)=N2	REAL300019666241	1	30	-1.0	-46.44	307.01	2.62	-43.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(C2=CC=NC=C2)=C1	REAL300019666242	0	36	-1.0	-47.07	322.99	3.09	-43.98
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(C2=CC=NC=C2)=C1	REAL300019666242	1	36	-1.0	-47.10	322.95	3.10	-44.00
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CNN=C2S1	REAL300019666243	0	30	-1.0	-48.86	285.20	2.73	-46.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CNN=C2S1	REAL300019666243	1	30	-1.0	-48.89	285.24	2.72	-46.17
CC1=NSC(Br)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666244	0	29	-1.0	-42.56	296.38	3.63	-38.93
CC1=NSC(Br)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666244	1	29	-1.0	-42.56	296.41	3.62	-38.94
CC1=CN2CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CCC2=N1	REAL300019666245	0	40	-1.0	-49.43	332.88	5.61	-43.82
CC1=CN2CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CCC2=N1	REAL300019666245	1	40	-1.0	-49.38	332.92	5.61	-43.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2N=C(Cl)N=C2C=C1	REAL300019666246	0	32	-1.0	-50.48	305.48	5.10	-45.38
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2N=C(Cl)N=C2C=C1	REAL300019666246	1	32	-1.0	-50.53	305.44	5.10	-45.43
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019666247	0	40	-1.0	-51.53	359.02	5.24	-46.29
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019666247	1	40	-1.0	-51.50	359.05	5.23	-46.27
NC1=C(Br)C=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666248	0	31	-1.0	-43.60	290.46	2.03	-41.57
NC1=C(Br)C=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666248	1	31	-1.0	-43.58	290.78	2.00	-41.58
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666248	1	32	0.0	-72.17	293.82	2.48	-69.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019666249	0	40	0.0	-82.18	326.64	3.00	-79.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NC2=C1CCCN2	REAL300019666249	1	39	-1.0	-49.11	322.76	2.68	-46.43
O=C(CCN1CCCC2=CC=CC=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666250	0	45	-1.0	-47.92	360.99	6.17	-41.75
O=C(CCN1CCCC2=CC=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666250	1	45	-1.0	-47.93	361.02	6.16	-41.77
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666251	0	47	-1.0	-52.25	388.38	0.72	-51.53
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666251	1	47	-1.0	-52.26	388.42	0.72	-51.54
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(NC(=O)OC(C)(C)C)O1	REAL300019666252	0	46	-1.0	-45.54	388.49	0.96	-44.58
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(NC(=O)OC(C)(C)C)O1	REAL300019666252	1	46	-1.0	-45.55	388.53	0.96	-44.59
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CCN1CCOCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666270	1	42	-1.0	-47.85	331.82	1.52	-46.33
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COC(CF)(OC)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019666271	1	44	-1.0	-46.04	366.90	5.35	-40.69
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CCCN1C(=O)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1C1=CC=CC=C1	REAL300019666338	1	50	-1.0	-50.64	413.80	8.17	-42.47
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COC1=CC=C(F)C=C1CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019666339	1	44	-1.0	-49.92	376.39	6.92	-43.00
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CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300019666346	1	50	-1.0	-48.36	398.00	4.69	-43.67
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COC1=CC=C2NN=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=C1	REAL300019666416	1	37	-1.0	-51.08	324.87	2.85	-48.23
COC1=CC=C2NC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C(C)C2=C1	REAL300019666417	0	41	-1.0	-47.29	347.42	4.81	-42.48
COC1=CC=C2NC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C(C)C2=C1	REAL300019666417	1	41	-1.0	-47.31	347.46	4.81	-42.50
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CC1CCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1C	REAL300019666423	0	45	-1.0	-45.92	341.96	6.70	-39.22
CC1CCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1C	REAL300019666423	1	45	-1.0	-45.91	342.00	6.69	-39.22
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CCN(CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300019666428	0	49	-1.0	-49.09	395.31	5.85	-43.24
CCN(CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300019666428	1	49	-1.0	-49.00	395.36	5.84	-43.16
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC2CC21	REAL300019666429	0	54	-1.0	-50.85	418.16	5.66	-45.19
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC2CC21	REAL300019666429	1	54	-1.0	-50.86	418.12	5.67	-45.19
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CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666431	1	36	-1.0	-41.78	320.88	6.15	-35.63
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CC1=NN=NN1C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019666435	0	41	-1.0	-57.14	356.20	5.37	-51.77
CC1=NN=NN1C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019666435	1	41	-1.0	-57.13	356.24	5.36	-51.77
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CC1=CC=C(C=CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019666437	0	40	-1.0	-48.71	343.29	7.58	-41.13
CC1=CC=C(C=CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019666437	1	40	-1.0	-48.74	343.33	7.57	-41.17
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COC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1C	REAL300019666440	0	36	-1.0	-43.65	307.26	4.80	-38.85
COC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1C	REAL300019666440	1	36	-1.0	-43.64	307.31	4.79	-38.85
CCOC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2(CCC2)C1	REAL300019666441	0	46	-1.0	-43.82	376.15	7.36	-36.46
CCOC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CCC2)C1	REAL300019666441	1	46	-1.0	-43.78	376.20	7.35	-36.43
COC1=CC(F)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Br	REAL300019666442	0	34	-1.0	-47.36	320.85	4.95	-42.41
COC1=CC(F)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Br	REAL300019666442	1	34	-1.0	-47.27	320.89	4.95	-42.32
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COC1=CC=C(C#CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019666455	0	36	-1.0	-45.61	327.44	5.59	-40.02
COC1=CC=C(C#CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019666455	1	36	-1.0	-45.92	327.78	5.56	-40.36
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CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019666457	1	53	-1.0	-48.16	417.76	4.94	-43.22
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666458	0	46	-1.0	-49.89	385.39	3.15	-46.74
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666458	1	46	-1.0	-49.95	385.43	3.14	-46.81
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CCN1C(C)=NN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300019666470	1	39	-1.0	-58.33	341.95	4.79	-53.54
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CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019666475	0	38	-1.0	-47.94	327.98	2.47	-45.47
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019666475	1	38	-1.0	-47.93	327.93	2.47	-45.46
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CC1=CC2=C(C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N2)O1	REAL300019666567	1	34	-1.0	-47.86	302.65	3.73	-44.13
CC(C)C1=CNC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=NC2=C1	REAL300019666568	0	42	-1.0	-57.58	356.41	4.94	-52.64
CC(C)C1=CNC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=NC2=C1	REAL300019666568	1	42	-1.0	-57.64	356.45	4.93	-52.71
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CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666570	0	53	-1.0	-45.71	424.05	3.17	-42.54
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666570	1	53	-1.0	-45.74	424.09	3.17	-42.57
C#CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCN(C(=O)OC(C)(C)C)C1	REAL300019666571	0	52	-1.0	-48.47	418.44	6.89	-41.58
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCOCC2)CC1(F)F	REAL300019666582	1	41	-1.0	-46.59	336.49	5.03	-41.56
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019666583	0	38	-1.0	-52.20	342.23	4.08	-48.12
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019666583	1	38	-1.0	-52.18	342.19	4.07	-48.11
CN1C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC2=C1C=CS2	REAL300019666584	0	34	-1.0	-45.51	308.62	5.51	-40.00
CN1C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC2=C1C=CS2	REAL300019666584	1	34	-1.0	-45.51	308.66	5.51	-40.00
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1CC(F)F	REAL300019666585	0	36	-1.0	-48.53	321.75	4.27	-44.26
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1CC(F)F	REAL300019666585	1	36	-1.0	-48.52	321.78	4.27	-44.25
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C1CCC1	REAL300019666586	0	40	-1.0	-46.67	334.87	5.36	-41.31
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C1CCC1	REAL300019666586	1	40	-1.0	-46.70	334.92	5.36	-41.34
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2CCCCC2=CN1	REAL300019666587	0	38	-1.0	-47.98	314.37	5.17	-42.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2CCCCC2=CN1	REAL300019666587	1	38	-1.0	-48.03	314.42	5.17	-42.86
COCCOCC=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666588	0	38	-1.0	-50.45	333.51	2.48	-47.97
COCCOCC=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666588	1	38	-1.0	-50.44	333.55	2.47	-47.97
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300019666589	0	51	-1.0	-51.16	413.51	2.48	-48.68
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300019666589	1	51	-1.0	-51.15	413.27	2.48	-48.67
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666590	0	50	-1.0	-49.41	403.40	2.36	-47.05
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666590	1	50	-1.0	-49.38	403.38	2.36	-47.02
COC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CN(C(=O)OC(C)(C)C)C1	REAL300019666591	0	48	-1.0	-46.53	394.48	2.86	-43.67
COC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CN(C(=O)OC(C)(C)C)C1	REAL300019666591	1	48	-1.0	-46.57	394.48	2.85	-43.72
CC1=NN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1C	REAL300019666592	0	39	-1.0	-52.65	332.66	4.60	-48.05
CC1=NN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1C	REAL300019666592	1	39	-1.0	-52.63	332.71	4.59	-48.04
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019666593	0	47	-1.0	-46.30	390.60	3.07	-43.23
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019666593	1	47	-1.0	-46.31	390.63	3.06	-43.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300019666594	0	33	-1.0	-51.82	312.89	6.14	-45.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300019666594	1	33	-1.0	-51.85	312.94	6.13	-45.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019666595	0	37	-1.0	-47.86	341.11	7.35	-40.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019666595	1	37	-1.0	-47.89	341.16	7.34	-40.55
CC(=O)C1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300019666596	0	31	-1.0	-49.80	298.59	2.48	-47.32
CC(=O)C1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019666596	1	31	-1.0	-49.75	298.64	2.47	-47.28
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666597	0	34	-1.0	-47.41	326.64	0.99	-46.42
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666597	1	34	-1.0	-47.46	326.59	1.00	-46.46
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019666598	0	37	-1.0	-52.91	327.07	3.89	-49.02
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019666598	1	37	-1.0	-59.30	327.12	3.89	-55.41
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666599	0	33	-1.0	-50.65	312.77	4.78	-45.87
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666599	1	33	-1.0	-50.62	312.81	4.77	-45.85
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)CC1	REAL300019666600	0	43	-1.0	-66.25	367.36	4.19	-62.06
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)CC1	REAL300019666600	1	43	-1.0	-66.29	367.40	4.18	-62.11
CC1=C2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)SC2=C(C)S1	REAL300019666601	0	36	-1.0	-44.96	340.35	6.86	-38.10
CC1=C2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)SC2=C(C)S1	REAL300019666601	1	36	-1.0	-44.99	340.39	6.86	-38.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2N=CC=C2C=C1	REAL300019666602	0	33	-1.0	-50.04	293.67	4.67	-45.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2N=CC=C2C=C1	REAL300019666602	1	33	-1.0	-50.08	293.63	4.67	-45.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2=NN=CN21	REAL300019666603	0	36	-1.0	-51.48	301.05	5.74	-45.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2=NN=CN21	REAL300019666603	1	36	-1.0	-51.43	301.09	5.73	-45.70
CC1(C)CCCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019666604	0	43	-1.0	-48.78	339.98	5.58	-43.20
CC1(C)CCCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019666604	1	43	-1.0	-48.75	340.02	5.57	-43.18
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1	REAL300019666605	0	36	-1.0	-52.00	318.41	3.84	-48.16
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1	REAL300019666605	1	36	-1.0	-52.04	318.37	3.85	-48.19
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666606	0	54	-1.0	-53.97	423.29	6.98	-46.99
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666606	1	54	-1.0	-53.28	423.07	6.99	-46.29
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019666607	0	53	-1.0	-50.75	417.55	4.83	-45.92
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019666607	1	53	-1.0	-50.73	417.58	4.82	-45.91
CCN1C(=O)CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666608	0	37	-1.0	-53.43	313.27	3.55	-49.88
CCN1C(=O)CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666608	1	37	-1.0	-53.45	313.32	3.56	-49.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300019666609	0	33	-1.0	-48.43	333.74	7.35	-41.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300019666609	1	33	-1.0	-48.39	333.78	7.35	-41.04
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300019666610	0	42	-1.0	-47.40	340.38	1.62	-45.78
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300019666610	1	42	-1.0	-47.41	340.42	1.61	-45.80
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666611	0	37	-1.0	-52.96	330.80	7.13	-45.83
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666611	1	37	-1.0	-52.96	330.84	7.12	-45.84
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300019666612	0	44	-1.0	-51.19	368.97	6.74	-44.45
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300019666612	1	44	-1.0	-51.13	369.27	6.72	-44.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019666613	0	38	-1.0	-52.82	331.94	5.76	-47.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019666613	1	38	-1.0	-52.77	332.24	5.73	-47.04
COC1=CC2=NC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2C=C1	REAL300019666614	0	39	-1.0	-48.60	331.82	4.60	-44.00
COC1=CC2=NC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2C=C1	REAL300019666614	1	39	-1.0	-48.63	331.77	4.60	-44.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC2=C1CCC2	REAL300019666615	0	36	-1.0	-46.47	304.37	4.96	-41.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC2=C1CCC2	REAL300019666615	1	36	-1.0	-46.49	304.42	4.97	-41.52
CCSC1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019666616	0	43	-1.0	-45.67	355.05	7.06	-38.61
CCSC1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019666616	1	43	-1.0	-45.57	354.84	7.07	-38.50
CC1=CC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=N1	REAL300019666617	0	41	-1.0	-47.60	350.62	5.83	-41.77
CC1=CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=N1	REAL300019666617	1	41	-1.0	-47.57	350.67	5.82	-41.75
CC1=CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019666618	0	39	-1.0	-47.07	333.65	7.84	-39.23
CC1=CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019666618	1	39	-1.0	-47.03	333.69	7.83	-39.20
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666619	0	53	-1.0	-52.57	420.97	6.31	-46.26
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666619	1	53	-1.0	-53.30	420.74	6.31	-46.99
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666620	0	36	-1.0	-53.19	317.18	3.17	-50.02
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666620	1	36	-1.0	-53.20	317.22	3.16	-50.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(Cl)=C1Cl	REAL300019666621	0	27	-1.0	-48.65	287.55	4.96	-43.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(Cl)=C1Cl	REAL300019666621	1	27	-1.0	-48.60	287.87	4.94	-43.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019666622	0	42	-1.0	-54.94	358.82	4.33	-50.61
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019666622	1	42	-1.0	-54.89	358.86	4.34	-50.55
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666623	0	40	-1.0	-49.09	334.66	5.24	-43.85
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666623	1	40	-1.0	-49.05	334.70	5.23	-43.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019666624	0	37	-1.0	-48.30	333.94	6.11	-42.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019666624	1	37	-1.0	-48.32	333.90	6.12	-42.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC=C1Br	REAL300019666625	0	28	-1.0	-53.19	273.25	3.39	-49.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC=C1Br	REAL300019666625	1	28	-1.0	-53.16	273.29	3.38	-49.78
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666626	0	40	-1.0	-58.82	364.06	4.54	-54.28
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666626	1	40	-1.0	-58.87	364.10	4.53	-54.34
CCC1=C(C)SC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666627	0	36	-1.0	-45.65	314.59	5.97	-39.68
CCC1=C(C)SC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666627	1	36	-1.0	-45.70	314.91	5.95	-39.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(OC(F)(F)F)C1	REAL300019666628	0	34	-1.0	-44.43	310.04	3.43	-41.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(OC(F)(F)F)C1	REAL300019666628	1	34	-1.0	-44.32	309.81	3.43	-40.89
CS(=O)(=O)C1=COC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019666629	0	33	-1.0	-53.65	313.76	0.36	-53.29
CS(=O)(=O)C1=COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019666629	1	33	-1.0	-53.69	313.80	0.36	-53.33
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666630	0	41	-1.0	-49.97	344.86	5.66	-44.31
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666630	1	41	-1.0	-49.98	344.90	5.65	-44.33
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666631	0	41	-1.0	-50.03	344.85	5.66	-44.37
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666631	1	41	-1.0	-50.04	344.89	5.65	-44.39
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CC1=CC=C(C2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)C(F)=C1	REAL300019666701	1	40	-1.0	-48.32	345.84	7.50	-40.82
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CC1=NNC2=C1CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300019666711	0	40	-1.0	-50.35	331.37	4.22	-46.13
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CSC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019666713	0	36	-1.0	-47.86	330.26	6.45	-41.41
CSC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019666713	1	36	-1.0	-47.83	330.30	6.44	-41.39
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666714	0	40	-1.0	-52.96	342.31	6.58	-46.38
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NS(=O)(=O)C1=COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019666716	1	32	-1.0	-52.07	307.22	-2.21	-54.28
N#CC1=CC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=NN2C=C1	REAL300019666717	0	34	-1.0	-52.67	315.00	5.04	-47.63
N#CC1=CC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=NN2C=C1	REAL300019666717	1	34	-1.0	-52.67	314.96	5.05	-47.62
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C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666719	0	44	-1.0	-56.33	370.17	3.70	-52.63
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666719	1	44	-1.0	-56.38	369.97	3.70	-52.68
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C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@H](C)O1	REAL300019666722	0	41	-1.0	-46.56	344.30	2.85	-43.71
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@H](C)O1	REAL300019666722	1	41	-1.0	-46.57	344.34	2.85	-43.72
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NC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(F)C(Br)=C1F	REAL300019666739	1	32	-1.0	-42.73	308.80	3.85	-38.88
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(C2CC2)=NO1	REAL300019666740	0	38	-1.0	-44.27	326.83	4.46	-39.81
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C2CC2)=NO1	REAL300019666740	1	38	-1.0	-44.68	327.18	4.44	-40.24
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CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C2C=N1	REAL300019666749	1	38	-1.0	-48.25	330.34	5.68	-42.57
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CN1N=CC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C(C3CC3)N=C21	REAL300019666751	1	42	-1.0	-48.31	358.21	5.99	-42.32
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CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666753	0	50	-1.0	-54.04	401.71	4.08	-49.96
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666753	1	50	-1.0	-53.99	401.75	4.07	-49.92
COC1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(OC)=C1OC	REAL300019666754	0	46	-1.0	-52.13	394.96	5.39	-46.74
COC1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(OC)=C1OC	REAL300019666754	1	46	-1.0	-52.16	395.00	5.39	-46.77
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666755	0	46	-1.0	-52.00	377.82	4.61	-47.39
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666755	1	46	-1.0	-51.98	377.87	4.61	-47.37
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)(C2CC2)C1	REAL300019666756	0	54	-1.0	-53.12	422.88	7.35	-45.77
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)(C2CC2)C1	REAL300019666756	1	54	-1.0	-53.16	422.92	7.34	-45.82
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CC=CC1=CC=C(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(OC)=C1	REAL300019666758	0	45	-1.0	-54.20	382.06	7.11	-47.09
CC=CC1=CC=C(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(OC)=C1	REAL300019666758	1	45	-1.0	-54.22	382.11	7.11	-47.11
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CC1=CNC2=NC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019666760	0	36	-1.0	-49.03	314.79	4.84	-44.19
CC1=CNC2=NC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019666760	1	36	-1.0	-49.01	314.84	4.84	-44.17
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666761	0	54	-1.0	-50.60	412.15	6.19	-44.41
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666761	1	54	-1.0	-50.54	412.19	6.20	-44.34
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CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)O1	REAL300019666764	0	41	-1.0	-52.02	361.43	2.28	-49.74
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)O1	REAL300019666764	1	41	-1.0	-52.02	361.47	2.28	-49.74
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CC1=CC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C2C(F)=C1	REAL300019666768	0	38	-1.0	-47.50	335.17	6.03	-41.47
CC1=CC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CN=C2C(F)=C1	REAL300019666768	1	38	-1.0	-47.45	335.14	6.03	-41.42
CN1C=C(C2=NC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CO2)C=N1	REAL300019666769	0	36	-1.0	-48.04	330.49	1.06	-46.98
CN1C=C(C2=NC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CO2)C=N1	REAL300019666769	1	36	-1.0	-47.94	330.45	1.06	-46.88
COC1=C2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)NC2=C(C)C=C1	REAL300019666770	0	41	-1.0	-48.51	350.98	4.80	-43.71
COC1=C2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)NC2=C(C)C=C1	REAL300019666770	1	41	-1.0	-48.51	351.02	4.79	-43.72
CCCCOC1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019666771	0	46	-1.0	-49.11	385.49	7.38	-41.73
CCCCOC1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019666771	1	46	-1.0	-49.14	385.53	7.37	-41.77
COC1=NC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019666772	0	39	-1.0	-47.29	339.50	3.80	-43.49
COC1=NC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019666772	1	39	-1.0	-47.26	339.46	3.81	-43.45
CC1=CN2C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C2S1	REAL300019666773	0	33	-1.0	-47.47	303.43	5.31	-42.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019666774	0	40	-1.0	-45.92	363.43	5.66	-40.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019666774	1	40	-1.0	-45.94	363.47	5.66	-40.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300019666775	0	27	-1.0	-42.79	291.68	5.00	-37.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300019666775	1	27	-1.0	-42.79	291.72	5.00	-37.79
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019666776	0	41	-1.0	-45.05	340.56	5.51	-39.54
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019666776	1	41	-1.0	-45.05	340.52	5.52	-39.53
COC1CC2(C1)CCC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300019666777	0	47	-1.0	-46.40	369.35	5.75	-40.65
COC1CC2(C1)CCC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300019666777	1	47	-1.0	-46.39	369.13	5.75	-40.64
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666778	0	48	-1.0	-48.10	386.93	8.97	-39.13
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666778	1	48	-1.0	-47.97	387.49	8.95	-39.02
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019666779	0	51	-1.0	-45.78	368.57	7.48	-38.30
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019666779	1	51	-1.0	-45.75	368.64	7.48	-38.27
CC1=CC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C2C=C1	REAL300019666780	0	38	-1.0	-46.61	329.23	5.92	-40.69
CC1=CC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CN=C2C=C1	REAL300019666780	1	38	-1.0	-46.63	329.19	5.92	-40.71
CN1C=C(C2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=NO2)N=N1	REAL300019666781	0	35	-1.0	-50.21	324.07	2.50	-47.71
CN1C=C(C2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=NO2)N=N1	REAL300019666781	1	35	-1.0	-50.24	324.11	2.49	-47.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1COC2COCC21	REAL300019666782	0	36	-1.0	-50.43	292.95	1.39	-49.04
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1COC2COCC21	REAL300019666782	1	36	-1.0	-50.42	292.99	1.38	-49.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC(=O)C2)CC1	REAL300019666783	0	42	-1.0	-49.56	339.43	5.91	-43.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC(=O)C2)CC1	REAL300019666783	1	42	-1.0	-49.56	339.47	5.90	-43.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300019666784	0	37	-1.0	-53.91	322.45	4.64	-49.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300019666784	1	37	-1.0	-53.91	322.49	4.64	-49.27
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666785	0	45	-1.0	-47.99	366.00	8.19	-39.80
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666785	1	45	-1.0	-48.00	366.04	8.18	-39.82
COC1(C(F)(F)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300019666786	0	40	-1.0	-41.83	325.40	4.53	-37.30
COC1(C(F)(F)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300019666786	1	40	-1.0	-41.80	325.44	4.53	-37.27
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666787	0	44	-1.0	-47.10	366.25	6.47	-40.63
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666787	1	44	-1.0	-47.12	366.29	6.46	-40.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCC(F)(F)CC2	REAL300019666788	0	40	-1.0	-47.50	332.65	6.52	-40.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCC(F)(F)CC2	REAL300019666788	1	40	-1.0	-47.55	332.69	6.52	-41.03
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1Br	REAL300019666789	0	32	-1.0	-44.11	303.45	4.24	-39.87
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1Br	REAL300019666789	1	32	-1.0	-44.06	303.40	4.25	-39.81
CN(C)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019666790	0	40	-1.0	-47.84	346.92	6.16	-41.68
CN(C)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019666790	1	40	-1.0	-47.90	346.96	6.16	-41.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019666791	0	34	-1.0	-47.55	314.35	4.77	-42.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019666791	1	34	-1.0	-47.50	314.30	4.76	-42.74
COC(=O)C1=CSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019666792	0	33	-1.0	-50.96	314.55	4.57	-46.39
COC(=O)C1=CSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019666792	1	33	-1.0	-50.99	314.59	4.56	-46.43
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019666793	0	41	-1.0	-45.24	338.06	5.40	-39.84
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019666793	1	41	-1.0	-45.24	338.02	5.40	-39.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019666794	0	38	-1.0	-44.90	354.78	7.01	-37.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019666794	1	38	-1.0	-44.91	354.82	7.01	-37.90
N#CC1=CC=C(C2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N=CO2)C=C1	REAL300019666795	0	37	-1.0	-47.92	342.32	3.70	-44.22
N#CC1=CC=C(C2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N=CO2)C=C1	REAL300019666795	1	37	-1.0	-47.94	342.26	3.71	-44.23
COC1CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL300019666796	0	43	-1.0	-49.21	347.16	4.79	-44.42
COC1CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL300019666796	1	43	-1.0	-49.26	347.20	4.78	-44.48
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666797	0	54	-1.0	-52.15	428.18	7.70	-44.45
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666797	1	54	-1.0	-52.12	428.23	7.69	-44.43
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019666798	0	40	-1.0	-45.06	358.26	6.95	-38.11
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019666798	1	40	-1.0	-45.07	358.31	6.93	-38.14
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666799	0	50	-1.0	-44.71	409.52	4.68	-40.03
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666799	1	50	-1.0	-44.74	409.55	4.68	-40.06
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=NN21	REAL300019666800	0	44	-1.0	-55.36	364.71	6.31	-49.05
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=NN21	REAL300019666800	1	44	-1.0	-55.36	364.67	6.32	-49.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCCN1C(=O)CCCC2	REAL300019666801	0	44	-1.0	-45.37	338.33	5.28	-40.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCCN1C(=O)CCCC2	REAL300019666801	1	44	-1.0	-45.39	338.38	5.27	-40.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019666802	0	40	-1.0	-44.98	351.15	7.54	-37.44
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019666802	1	40	-1.0	-45.09	351.19	7.53	-37.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC2(F)F)C1	REAL300019666803	0	37	-1.0	-47.22	319.20	5.96	-41.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC2(F)F)C1	REAL300019666803	1	37	-1.0	-47.21	319.25	5.96	-41.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2C1C2(F)F	REAL300019666804	0	37	-1.0	-51.25	308.83	5.79	-45.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2C1C2(F)F	REAL300019666804	1	37	-1.0	-51.27	308.86	5.79	-45.48
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666805	0	41	-1.0	-52.78	342.38	6.16	-46.62
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666805	1	41	-1.0	-52.75	342.43	6.15	-46.60
O=C(CCC1=CC=CC(Br)=C1F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666806	0	36	-1.0	-47.74	338.59	7.01	-40.73
O=C(CCC1=CC=CC(Br)=C1F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666806	1	36	-1.0	-47.75	338.62	7.00	-40.75
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666807	0	48	-1.0	-44.74	344.59	6.96	-37.78
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666807	1	48	-1.0	-44.95	340.62	6.87	-38.08
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL300019666808	0	48	-1.0	-47.63	396.06	4.35	-43.28
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL300019666808	1	48	-1.0	-47.55	395.82	4.36	-43.19
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C(F)F)=NN1C	REAL300019666809	0	36	-1.0	-48.41	324.65	3.79	-44.62
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)F)=NN1C	REAL300019666809	1	36	-1.0	-48.38	324.69	3.79	-44.59
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666810	0	41	-1.0	-58.46	340.48	4.23	-54.23
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666810	1	41	-1.0	-58.47	340.53	4.21	-54.26
CCC1=CC=C(C(=O)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019666811	0	35	-1.0	-41.66	321.99	5.37	-36.29
CCC1=CC=C(C(=O)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019666811	1	35	-1.0	-41.48	321.74	5.37	-36.11
COC1=CC(Br)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019666812	0	34	-1.0	-45.81	318.38	4.89	-40.92
COC1=CC(Br)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019666812	1	34	-1.0	-45.84	318.42	4.91	-40.93
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666813	0	48	-1.0	-56.63	391.78	4.71	-51.92
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666813	1	48	-1.0	-56.66	391.79	4.70	-51.96
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666814	0	51	-1.0	-52.98	412.34	6.36	-46.62
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666814	1	51	-1.0	-52.99	412.39	6.36	-46.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(C2CCCC2)=C1	REAL300019666815	0	40	-1.0	-44.77	334.88	4.57	-40.20
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(C2CCCC2)=C1	REAL300019666815	1	40	-1.0	-44.69	334.64	4.56	-40.13
CC1(C)OC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2NC1=O	REAL300019666816	0	42	-1.0	-49.98	356.85	3.46	-46.52
CC1(C)OC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2NC1=O	REAL300019666816	1	42	-1.0	-50.00	356.89	3.46	-46.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300019666817	0	38	-1.0	-49.44	320.40	4.07	-45.37
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300019666817	1	38	-1.0	-49.39	320.62	4.06	-45.33
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019666818	0	38	-1.0	-51.38	336.25	3.83	-47.55
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019666818	1	38	-1.0	-51.36	336.29	3.83	-47.53
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C12	REAL300019666819	0	42	-1.0	-47.69	357.28	7.63	-40.06
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C12	REAL300019666819	1	42	-1.0	-47.67	357.32	7.62	-40.05
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC2=C1CCNC2=O	REAL300019666820	0	37	-1.0	-46.84	315.69	1.57	-45.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC2=C1CCNC2=O	REAL300019666820	1	37	-1.0	-46.80	315.73	1.57	-45.23
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CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NC=C1C(F)F	REAL300019666821	1	35	-1.0	-46.06	313.75	4.58	-41.48
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CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019666823	1	39	-1.0	-54.08	332.26	2.84	-51.24
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CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019666827	1	53	-1.0	-49.08	415.49	6.17	-42.91
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019666828	0	50	-1.0	-47.30	396.83	4.75	-42.55
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019666828	1	50	-1.0	-47.44	396.63	4.75	-42.69
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019666829	0	51	-1.0	-52.01	414.90	5.11	-46.90
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019666829	1	51	-1.0	-52.01	414.94	5.10	-46.91
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CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666831	1	33	-1.0	-51.94	309.21	3.96	-47.98
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C12CCC2	REAL300019666832	0	54	-1.0	-49.08	415.45	6.12	-42.96
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C12CCC2	REAL300019666832	1	54	-1.0	-49.07	415.49	6.11	-42.96
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C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666833	1	44	-1.0	-56.36	370.23	3.70	-52.66
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CC1=CC(F)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019666839	0	35	-1.0	-47.13	317.35	6.28	-40.85
CC1=CC(F)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019666839	1	35	-1.0	-47.08	317.40	6.27	-40.81
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CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019666852	0	43	-1.0	-44.57	366.96	3.50	-41.07
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019666852	1	43	-1.0	-44.52	367.01	3.49	-41.03
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COC(=O)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(F)C=N1	REAL300019666854	0	35	-1.0	-46.90	322.11	3.83	-43.07
COC(=O)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(F)C=N1	REAL300019666854	1	35	-1.0	-46.88	322.07	3.83	-43.05
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019666855	0	38	-1.0	-51.30	322.86	6.26	-45.04
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019666855	1	38	-1.0	-51.33	322.90	6.26	-45.07
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CC(C)C(C)C(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666857	0	44	-1.0	-45.63	336.26	6.09	-39.54
CC(C)C(C)C(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666857	1	44	-1.0	-45.66	336.29	6.09	-39.57
COC1CC2(C1)CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300019666858	0	41	-1.0	-46.22	340.17	4.70	-41.52
COC1CC2(C1)CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300019666858	1	41	-1.0	-46.26	340.21	4.69	-41.57
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666859	0	46	-1.0	-48.97	382.54	7.06	-41.91
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666859	1	46	-1.0	-49.00	382.58	7.05	-41.95
CC1(C)CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300019666860	0	40	-1.0	-44.73	317.89	3.91	-40.82
CC1(C)CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300019666860	1	40	-1.0	-44.78	317.94	3.89	-40.89
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CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1C(F)(F)F	REAL300019666863	0	33	-1.0	-50.02	289.23	5.03	-44.99
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CC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CO1)CCC2	REAL300019666865	1	41	-1.0	-45.41	322.80	4.14	-41.27
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C=C(C)[C@@H]1OCCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019667203	1	41	-1.0	-45.08	332.59	4.59	-40.49
NC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C1=CC=C(F)C=C1	REAL300019667204	0	39	-1.0	-46.77	343.14	5.22	-41.55
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CCOC(=O)C12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)CC2	REAL300019667206	1	49	-1.0	-48.27	387.21	7.40	-40.87
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CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(F)(F)C1	REAL300019667213	0	47	-1.0	-50.73	393.45	3.78	-46.95
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(F)(F)C1	REAL300019667213	1	47	-1.0	-50.68	393.53	3.77	-46.91
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CC1CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)O1	REAL300019667218	0	40	-1.0	-46.16	322.00	3.99	-42.17
CC1CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)O1	REAL300019667218	1	40	-1.0	-46.20	322.04	3.99	-42.21
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COC1=C2C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CSC2=CC=C1	REAL300019667221	1	37	-1.0	-49.39	326.59	6.84	-42.55
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CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC(F)=C1	REAL300019667223	0	30	-1.0	-42.37	281.66	4.72	-37.65
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC(F)=C1	REAL300019667223	1	30	-1.0	-42.36	281.70	4.72	-37.64
CC1(C)[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@@H]1C(F)F	REAL300019667224	0	36	-1.0	-50.14	298.70	5.17	-44.97
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COC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=N1	REAL300019667228	1	35	-1.0	-46.40	304.91	0.28	-46.12
COC(=O)CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019667229	0	39	-1.0	-45.19	331.78	5.24	-39.95
COC(=O)CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019667229	1	39	-1.0	-45.24	331.63	5.24	-40.00
CC(CC1=CC=NC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019667230	0	38	-1.0	-46.53	322.66	5.08	-41.45
CC(CC1=CC=NC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019667230	1	38	-1.0	-46.50	322.70	5.08	-41.42
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CC(C)CCCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019667232	0	42	-1.0	-48.92	347.48	5.70	-43.22
CC(C)CCCOCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019667232	1	42	-1.0	-48.89	347.51	5.69	-43.20
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CC1=CC=CC(C(O)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019667234	0	37	-1.0	-45.87	319.77	4.22	-41.65
CC1=CC=CC(C(O)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019667234	1	37	-1.0	-45.85	319.82	4.21	-41.64
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019667235	0	51	-1.0	-51.38	399.73	4.47	-46.91
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019667235	1	51	-1.0	-51.35	399.76	4.46	-46.89
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019667236	0	51	-1.0	-52.69	403.47	6.57	-46.12
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019667236	1	51	-1.0	-52.72	403.50	6.57	-46.15
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CC2C1	REAL300019667237	0	54	-1.0	-44.04	417.77	6.01	-38.03
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CC2C1	REAL300019667237	1	54	-1.0	-44.04	417.80	6.00	-38.04
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019667238	0	50	-1.0	-52.76	419.61	3.28	-49.48
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019667238	1	50	-1.0	-52.70	419.57	3.29	-49.41
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CN1C(=O)OC(C)(C)C	REAL300019667239	0	50	-1.0	-47.87	399.23	5.66	-42.21
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CN1C(=O)OC(C)(C)C	REAL300019667239	1	50	-1.0	-47.89	399.28	5.65	-42.24
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019667240	0	48	-1.0	-44.77	395.15	4.48	-40.29
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019667240	1	48	-1.0	-44.81	395.18	4.47	-40.34
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCCC2=O)N1	REAL300019667241	0	37	-1.0	-56.10	319.87	4.25	-51.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCCC2=O)N1	REAL300019667241	1	37	-1.0	-56.08	319.91	4.24	-51.84
CC(C)(C)C1=CC=C2C(N)=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)SC2=N1	REAL300019667242	0	46	-1.0	-46.59	388.69	5.20	-41.39
CC(C)(C)C1=CC=C2C(N)=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)SC2=N1	REAL300019667242	1	46	-1.0	-46.55	388.64	5.20	-41.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC(CN2C=CC=N2)=C1	REAL300019667243	0	37	-1.0	-54.44	334.21	4.72	-49.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC(CN2C=CC=N2)=C1	REAL300019667243	1	37	-1.0	-54.40	334.17	4.72	-49.68
COC1=CC=C(Cl)C(F)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019667244	0	34	-1.0	-49.14	321.87	4.64	-44.50
COC1=CC=C(Cl)C(F)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019667244	1	34	-1.0	-49.14	321.91	4.64	-44.50
N#CC1=CNC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019667245	0	35	-1.0	-58.66	319.05	5.39	-53.27
N#CC1=CNC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019667245	1	35	-1.0	-58.65	319.09	5.39	-53.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC(C2=CC=CC=C2)=C1	REAL300019667246	0	38	-1.0	-52.19	331.00	6.31	-45.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC(C2=CC=CC=C2)=C1	REAL300019667246	1	38	-1.0	-52.14	331.35	6.30	-45.84
CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019667247	0	36	-1.0	-49.96	313.93	6.41	-43.55
CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019667247	1	36	-1.0	-49.95	313.97	6.41	-43.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12CCO[C@H]1CC(=O)NC2	REAL300019667248	0	39	-1.0	-52.60	320.16	0.30	-52.30
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12CCO[C@H]1CC(=O)NC2	REAL300019667248	1	39	-1.0	-52.60	320.20	0.29	-52.31
CC1CCCC(O)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019667249	0	43	-1.0	-45.60	328.47	3.72	-41.88
CC1CCCC(O)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019667249	1	43	-1.0	-45.61	328.51	3.71	-41.90
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(S(N)(=O)=O)S1	REAL300019667250	0	35	-1.0	-59.53	329.18	0.88	-58.65
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(S(N)(=O)=O)S1	REAL300019667250	1	35	-1.0	-59.55	329.14	0.88	-58.67
CC(C)(C)C1CCC(C(O)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019667251	0	52	-1.0	-43.65	378.08	5.86	-37.79
CC(C)(C)C1CCC(C(O)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019667251	1	52	-1.0	-43.66	378.09	5.85	-37.81
CCOC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL300019667252	0	34	-1.0	-50.09	309.53	5.16	-44.93
CCOC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL300019667252	1	34	-1.0	-50.12	309.58	5.15	-44.97
NC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C1=CC=CC=C1F	REAL300019667253	0	39	-1.0	-50.42	344.80	5.25	-45.17
NC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C1=CC=CC=C1F	REAL300019667253	1	39	-1.0	-50.39	344.75	5.25	-45.14
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2NC=CC2=CC(F)=C1	REAL300019667254	0	34	-1.0	-44.86	301.74	5.17	-39.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2NC=CC2=CC(F)=C1	REAL300019667254	1	34	-1.0	-44.92	301.78	5.17	-39.75
CCC1=NNC(CC)=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019667255	0	42	-1.0	-51.03	349.24	4.45	-46.58
CCC1=NNC(CC)=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019667255	1	42	-1.0	-51.04	349.20	4.46	-46.58
CN(C)C1=NC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C2O1	REAL300019667256	0	40	-1.0	-56.95	345.64	3.68	-53.27
CN(C)C1=NC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C2O1	REAL300019667256	1	40	-1.0	-56.93	345.59	3.69	-53.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL300019667257	0	43	-1.0	-48.53	368.67	6.45	-42.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL300019667257	1	43	-1.0	-48.50	368.71	6.44	-42.06
CS(C)(=O)=NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019667258	0	37	-1.0	-61.93	341.82	2.33	-59.60
CS(C)(=O)=NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019667258	1	37	-1.0	-61.97	341.87	2.33	-59.64
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019667259	0	48	0.0	-69.88	367.84	7.03	-62.85
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019667259	1	48	0.0	-68.68	367.43	7.02	-61.66
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019667259	1	48	0.0	-69.84	367.80	7.04	-62.80
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019667259	1	48	0.0	-68.74	367.64	7.00	-61.74
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019667260	0	42	0.0	-63.28	322.24	5.79	-57.49
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019667260	1	42	0.0	-63.09	322.67	5.80	-57.29
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019667260	1	42	0.0	-63.16	322.46	5.77	-57.39
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019667260	1	42	0.0	-63.04	322.63	5.81	-57.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019667261	0	37	-1.0	-46.41	319.04	6.92	-39.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019667261	1	37	-1.0	-46.44	319.09	6.91	-39.53
CCC(=CC1=CC=CC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019667262	0	40	-1.0	-45.50	331.43	7.28	-38.22
CCC(=CC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019667262	1	40	-1.0	-45.52	331.49	7.28	-38.24
CC(C)(C)CC1=NC(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=NO1	REAL300019670202	0	50	-1.0	-53.72	401.81	5.62	-48.10
CC(C)(C)CC1=NC(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=NO1	REAL300019670202	1	50	-1.0	-53.74	401.75	5.60	-48.14
CN1C=C(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=N1	REAL300019670203	0	40	-1.0	-59.11	330.86	4.87	-54.24
CN1C=C(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=N1	REAL300019670203	1	40	-1.0	-59.18	330.80	4.84	-54.34
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300019670204	0	42	-1.0	-53.77	355.28	4.48	-49.29
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300019670204	1	42	-1.0	-53.78	355.34	4.51	-49.27
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019670205	0	45	-2.0	-118.08	383.40	-0.30	-118.38
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019670205	1	45	-2.0	-118.09	383.46	-0.30	-118.39
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(NS(C)(=O)=O)=C1OC	REAL300019670205	1	46	-1.0	-61.62	384.52	-0.33	-61.95
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(NS(C)(=O)=O)=C1OC	REAL300019670205	1	46	-1.0	-61.61	384.56	-0.30	-61.91
CC1=CC=C2C(CCC(=O)N3CCCC3C3=N[N-]N=N3)=CNC2=C1	REAL300019670206	0	43	-1.0	-56.28	353.91	6.19	-50.09
CC1=CC=C2C(CCC(=O)N3CCCC3C3=NN=N[N-]3)=CNC2=C1	REAL300019670206	1	43	-1.0	-56.27	353.97	6.21	-50.06
CCOC(C)C1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670207	0	39	-1.0	-54.95	334.26	2.09	-52.86
CCOC(C)C1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019670207	1	39	-1.0	-54.94	334.32	2.11	-52.83
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670208	0	50	-1.0	-49.16	383.22	4.63	-44.53
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670208	1	50	-1.0	-49.17	383.28	4.66	-44.51
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1NC(=O)OC(C)(C)C	REAL300019670209	0	50	-1.0	-62.13	390.91	4.70	-57.43
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300019670209	1	50	-1.0	-62.17	390.97	4.73	-57.44
COCCOC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019670210	0	40	-1.0	-52.75	333.17	0.49	-52.26
COCCOC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019670210	1	40	-1.0	-52.77	333.11	0.47	-52.30
CN1C(C(=O)N2CCCC2C2=N[N-]N=N2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300019670211	0	40	-1.0	-50.24	339.87	6.16	-44.08
CN1C(C(=O)N2CCCC2C2=NN=N[N-]2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300019670211	1	40	-1.0	-50.23	339.93	6.18	-44.05
CCCCCCCCCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670212	0	59	-1.0	-51.77	455.80	10.25	-41.52
CCCCCCCCCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670212	1	59	-1.0	-51.79	455.85	10.28	-41.51
CC1=C(Br)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670213	0	33	-1.0	-50.88	289.27	4.76	-46.12
CC1=C(Br)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670213	1	33	-1.0	-50.90	289.32	4.78	-46.12
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670214	0	47	-1.0	-54.73	382.21	4.72	-50.01
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670214	1	47	-1.0	-54.74	382.27	4.73	-50.01
O=C(C1=CC(OCC2=CC=CC=C2)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670215	0	43	-1.0	-57.65	360.04	6.06	-51.59
O=C(C1=CC(OCC2=CC=CC=C2)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670215	1	43	-1.0	-57.60	359.98	6.04	-51.56
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019670216	0	47	-1.0	-52.18	384.29	2.67	-49.51
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019670216	1	47	-1.0	-52.20	384.34	2.69	-49.51
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300019670217	0	33	-1.0	-51.08	308.72	5.00	-46.08
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300019670217	1	33	-1.0	-51.06	308.78	5.02	-46.04
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC1C1=N[N-]N=N1	REAL300019670218	0	41	-1.0	-50.13	347.33	2.40	-47.73
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC1C1=NN=N[N-]1	REAL300019670218	1	41	-1.0	-50.16	347.39	2.42	-47.74
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670219	0	45	-1.0	-64.27	367.36	2.75	-61.52
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670219	1	45	-1.0	-64.26	367.42	2.77	-61.49
CC(CCOC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670220	0	43	-1.0	-56.58	348.04	5.50	-51.08
CC(CCOC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670220	1	43	-1.0	-56.59	348.10	5.51	-51.08
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300019670221	0	33	-1.0	-52.41	290.80	4.77	-47.64
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300019670221	1	33	-1.0	-52.39	290.86	4.80	-47.59
O=C(C1CC(=O)N(C2=CNN=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670222	0	38	-1.0	-53.92	315.36	1.30	-52.62
O=C(C1CC(=O)N(C2=CNN=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670222	1	38	-1.0	-53.95	315.42	1.33	-52.62
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670223	0	49	0.0	-65.59	357.02	6.15	-59.44
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670223	1	49	0.0	-66.44	357.95	6.15	-60.29
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670223	1	49	0.0	-65.59	356.96	6.13	-59.46
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670223	1	49	0.0	-66.45	357.89	6.13	-60.32
O=C(C1=CC=CC(C(F)(F)F)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670224	0	33	-1.0	-58.12	294.83	4.61	-53.51
O=C(C1=CC=CC(C(F)(F)F)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670224	1	33	-1.0	-58.09	294.89	4.63	-53.46
CN(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300019670225	0	43	-1.0	-61.15	368.92	5.52	-55.63
CN(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300019670225	1	43	-1.0	-61.13	368.98	5.55	-55.58
CC1=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019670226	0	45	-1.0	-53.94	361.24	6.64	-47.30
CC1=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019670226	1	45	-1.0	-53.92	361.18	6.62	-47.30
CC(C)OC1=CC(Br)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670227	0	40	-1.0	-49.74	341.70	5.02	-44.72
CC(C)OC1=CC(Br)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670227	1	40	-1.0	-49.74	341.76	5.04	-44.70
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670228	0	48	-1.0	-58.95	388.23	3.71	-55.24
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670228	1	48	-1.0	-58.97	388.29	3.73	-55.24
CN1C=CN=C1CN1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670229	0	48	-1.0	-55.63	370.16	3.22	-52.41
CN1C=CN=C1CN1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670229	1	48	-1.0	-55.63	370.22	3.25	-52.38
O=C(C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670230	0	43	-1.0	-55.09	358.59	5.80	-49.29
O=C(C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670230	1	43	-1.0	-55.07	358.65	5.82	-49.25
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCC1	REAL300019670231	0	50	-1.0	-53.34	386.80	3.58	-49.76
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCC1	REAL300019670231	1	50	-1.0	-53.34	386.86	3.60	-49.74
CS(=O)(=O)CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670232	0	39	-1.0	-53.91	322.52	1.49	-52.42
CS(=O)(=O)CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670232	1	39	-1.0	-53.93	322.56	1.51	-52.42
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670233	0	49	-1.0	-57.01	380.25	4.49	-52.52
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670233	1	49	-1.0	-56.97	380.31	4.50	-52.47
CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670234	0	44	-1.0	-60.06	373.02	-1.18	-61.24
CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670234	1	44	-1.0	-60.10	373.07	-1.15	-61.25
O=C(C1=CC=C(OC2=CC=CC=C2Cl)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670235	0	40	-1.0	-55.07	352.76	4.35	-50.72
O=C(C1=CC=C(OC2=CC=CC=C2Cl)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670235	1	40	-1.0	-55.04	352.70	4.33	-50.71
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N1	REAL300019670236	0	43	-1.0	-62.86	363.32	4.93	-57.93
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N1	REAL300019670236	1	43	-1.0	-62.87	363.37	4.95	-57.92
O=C(C1=C(F)N2C=CC=CC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670237	0	33	-1.0	-60.53	287.82	4.90	-55.63
O=C(C1=C(F)N2C=CC=CC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670237	1	33	-1.0	-60.50	287.76	4.87	-55.63
COC(=O)C1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300019670238	0	35	-1.0	-61.00	311.27	1.26	-59.74
COC(=O)C1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300019670238	1	35	-1.0	-61.00	311.21	1.23	-59.77
CC1C(=O)NC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2N1C	REAL300019670239	0	43	-1.0	-58.01	337.23	0.95	-57.06
CC1C(=O)NC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2N1C	REAL300019670239	1	43	-1.0	-58.03	337.28	0.97	-57.06
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670240	0	46	-1.0	-56.71	389.54	7.59	-49.12
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670240	1	46	-1.0	-56.72	389.59	7.61	-49.11
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670240	1	45	-2.0	-109.16	386.27	7.42	-101.74
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670240	1	45	-2.0	-109.13	386.33	7.45	-101.68
O=C(CSC1=N[N-]C(=S)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670241	0	29	-2.0	-89.27	300.59	1.89	-87.38
O=C(CSC1=N[N-]C(=S)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670241	1	29	-2.0	-89.29	300.65	1.92	-87.37
O=C(CSC1=NNC(=S)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670241	1	30	-1.0	-49.53	304.00	2.04	-47.49
O=C(CSC1=NNC(=S)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670241	1	30	-1.0	-49.54	304.06	2.06	-47.48
O=C(CC1=COC2=CC(F)=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670242	0	36	-1.0	-53.33	313.49	5.09	-48.24
O=C(CC1=COC2=CC(F)=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670242	1	36	-1.0	-53.33	313.54	5.12	-48.21
O=C(CCC1=CC(Cl)=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670243	0	36	-1.0	-49.97	334.68	6.45	-43.52
O=C(CCC1=CC(Cl)=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670243	1	36	-1.0	-49.96	334.74	6.48	-43.48
O=C(C1=CC=C(Br)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670244	0	29	-1.0	-48.54	267.14	2.24	-46.30
O=C(C1=CC=C(Br)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670244	1	29	-1.0	-48.58	267.08	2.21	-46.37
CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670245	0	47	-1.0	-49.68	370.43	3.81	-45.87
CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670245	1	47	-1.0	-49.65	370.49	3.84	-45.81
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300019670246	0	57	-1.0	-50.94	423.68	6.63	-44.31
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300019670246	1	57	-1.0	-50.90	423.74	6.65	-44.25
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL300019670247	0	33	-1.0	-51.06	304.08	4.90	-46.16
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL300019670247	1	33	-1.0	-51.05	304.14	4.92	-46.13
CC1=NC(CCCC(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL300019670248	0	38	-1.0	-57.11	328.47	3.96	-53.15
CC1=NC(CCCC(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL300019670248	1	38	-1.0	-57.09	328.52	3.99	-53.10
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670249	0	50	-1.0	-52.95	375.07	5.85	-47.10
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670249	1	50	-1.0	-52.92	375.11	5.87	-47.05
O=C(CC=CC1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670250	0	37	-1.0	-52.20	316.72	6.05	-46.15
O=C(CC=CC1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670250	1	37	-1.0	-52.21	316.77	6.08	-46.13
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019670251	0	53	-1.0	-53.96	424.39	4.74	-49.22
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019670251	1	53	-1.0	-53.93	424.45	4.77	-49.16
CC1=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C(C3CC3)N=C2C(C)=C1	REAL300019670252	0	48	-1.0	-54.28	381.30	7.45	-46.83
CC1=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300019670252	1	48	-1.0	-54.30	381.36	7.47	-46.83
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C2C=NN(C)C2=N1	REAL300019670253	0	38	-1.0	-41.75	305.39	2.93	-38.82
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C2C=NN(C)C2=N1	REAL300019670253	1	38	-1.0	-41.76	306.16	2.86	-38.90
CNS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300019670254	0	38	-1.0	-43.38	318.40	-1.00	-44.38
CNS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300019670254	1	38	-1.0	-43.36	318.47	-1.00	-44.36
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670255	0	44	-1.0	-56.47	360.36	5.90	-50.57
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670255	1	44	-1.0	-56.46	360.42	5.93	-50.53
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670256	0	52	-1.0	-58.08	412.16	10.20	-47.88
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670256	1	52	-1.0	-58.10	412.22	10.21	-47.89
CCC(OC1=CC=CC=C1F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670257	0	40	-1.0	-63.75	322.48	5.54	-58.21
CCC(OC1=CC=CC=C1F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670257	1	40	-1.0	-63.76	322.53	5.57	-58.19
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300019670258	0	36	-1.0	-55.97	322.74	5.86	-50.11
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300019670258	1	36	-1.0	-55.99	322.80	5.88	-50.11
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670259	0	37	-1.0	-53.40	308.62	5.63	-47.77
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670259	1	37	-1.0	-53.40	308.56	5.60	-47.80
CC1=CC(CCCC(=O)N2CCCC2C2=N[N-]N=N2)=C(C)S1	REAL300019670260	0	42	-1.0	-53.95	351.85	6.65	-47.30
CC1=CC(CCCC(=O)N2CCCC2C2=NN=N[N-]2)=C(C)S1	REAL300019670260	1	42	-1.0	-53.94	351.91	6.68	-47.26
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(S(=O)(=O)N(C)C)O1	REAL300019670261	0	41	-1.0	-51.89	350.82	0.53	-51.36
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300019670261	1	41	-1.0	-51.84	350.88	0.54	-51.30
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300019670262	0	42	-1.0	-56.78	336.74	7.14	-49.64
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300019670262	1	42	-1.0	-56.76	336.79	7.17	-49.59
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCCC1C1=N[N-]N=N1	REAL300019670263	0	33	-1.0	-50.95	299.57	4.94	-46.01
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCCC1C1=NN=N[N-]1	REAL300019670263	1	33	-1.0	-50.95	299.63	4.97	-45.98
COC1=CC(OC)=CC(N2CC(C(=O)N3CCCC3C3=N[N-]N=N3)CC2=O)=C1	REAL300019670264	0	49	-1.0	-57.84	390.87	3.42	-54.42
COC1=CC(OC)=CC(N2CC(C(=O)N3CCCC3C3=NN=N[N-]3)CC2=O)=C1	REAL300019670264	1	49	-1.0	-57.81	390.93	3.45	-54.36
CCC(C)OC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670265	0	43	-1.0	-53.40	340.91	5.23	-48.17
CCC(C)OC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670265	1	43	-1.0	-53.38	340.97	5.25	-48.13
COC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300019670266	0	35	-1.0	-51.08	301.44	2.42	-48.66
COC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300019670266	1	35	-1.0	-51.15	301.38	2.40	-48.75
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019670267	0	40	-2.0	-126.85	347.61	4.45	-122.40
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019670267	1	40	-2.0	-126.87	347.67	4.46	-122.41
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670268	0	40	-1.0	-64.06	330.73	1.29	-62.77
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670268	1	40	-1.0	-64.07	330.79	1.31	-62.76
CC1=CC(O)=CC(=O)N1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670269	0	37	-1.0	-69.08	310.64	0.84	-68.24
CC1=CC(O)=CC(=O)N1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670269	1	37	-1.0	-69.05	310.70	0.86	-68.19
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300019670270	0	42	-1.0	-58.11	356.17	2.63	-55.48
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300019670270	1	42	-1.0	-58.16	356.23	2.64	-55.52
COC1=CC=CC(C(C)CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670271	0	43	-1.0	-52.42	343.60	5.19	-47.23
COC1=CC=CC(C(C)CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670271	1	43	-1.0	-52.43	343.66	5.22	-47.21
CC(=CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL300019670272	0	41	-1.0	-52.94	347.11	5.57	-47.37
CC(=CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL300019670272	1	41	-1.0	-52.90	347.17	5.60	-47.30
O=C(C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670273	0	41	-1.0	-48.67	364.38	7.07	-41.60
O=C(C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670273	1	41	-1.0	-48.69	364.44	7.09	-41.60
CNS(=O)(=O)C1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670274	0	35	-1.0	-57.77	319.47	-1.38	-59.15
CNS(=O)(=O)C1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670274	1	35	-1.0	-57.76	319.53	-1.36	-59.12
O=C(C1=CC=C(OC2=CC=CC=C2)O1)N1CCCC1C1=N[N-]N=N1	REAL300019670275	0	38	-1.0	-50.89	329.46	5.97	-44.92
O=C(C1=CC=C(OC2=CC=CC=C2)O1)N1CCCC1C1=NN=N[N-]1	REAL300019670275	1	38	-1.0	-50.90	329.51	5.99	-44.91
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NC2=CC=CC=C21	REAL300019670276	0	38	-1.0	-52.24	307.88	4.49	-47.75
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NC2=CC=CC=C21	REAL300019670276	1	38	-1.0	-52.19	307.82	4.48	-47.71
CNS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)O1	REAL300019670277	0	38	-1.0	-52.39	331.81	-1.29	-53.68
CNS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)O1	REAL300019670277	1	38	-1.0	-52.43	331.87	-1.27	-53.70
CC1=C(Br)SC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670278	0	30	-1.0	-48.96	283.33	3.92	-45.04
CC1=C(Br)SC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670278	1	30	-1.0	-48.96	283.39	3.94	-45.02
COC1=CC=C(OC)C(C(F)(F)C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670279	0	41	-1.0	-54.16	342.29	3.29	-50.87
COC1=CC=C(OC)C(C(F)(F)C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670279	1	41	-1.0	-54.17	342.35	3.32	-50.85
O=C(C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670280	0	42	-1.0	-52.91	354.54	4.45	-48.46
O=C(C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670280	1	42	-1.0	-52.88	354.49	4.43	-48.45
NC(=O)C1=CC=C(OCCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670281	0	41	-1.0	-53.33	343.58	1.11	-52.22
NC(=O)C1=CC=C(OCCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670281	1	41	-1.0	-53.34	343.64	1.13	-52.21
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1	REAL300019670282	0	41	-1.0	-49.87	342.97	5.86	-44.01
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1	REAL300019670282	1	41	-1.0	-49.80	343.03	5.88	-43.92
CC1=CC=C2NC=C(CCC(=O)N3CCCC3C3=N[N-]N=N3)C2=C1	REAL300019670283	0	43	-1.0	-56.66	353.92	6.20	-50.46
CC1=CC=C2NC=C(CCC(=O)N3CCCC3C3=NN=N[N-]3)C2=C1	REAL300019670283	1	43	-1.0	-56.68	353.98	6.23	-50.45
O=C(C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670284	0	40	-1.0	-53.07	350.34	6.05	-47.02
O=C(C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670284	1	40	-1.0	-53.05	350.40	6.07	-46.98
COC1=CC=C(C2=NNC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1OC	REAL300019670285	0	45	-1.0	-53.03	369.90	3.26	-49.77
COC1=CC=C(C2=NNC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1OC	REAL300019670285	1	45	-1.0	-53.05	369.95	3.28	-49.77
O=C(CCC1=CC=C(Br)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670286	0	36	-1.0	-49.99	322.01	6.09	-43.90
O=C(CCC1=CC=C(Br)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670286	1	36	-1.0	-50.01	322.07	6.12	-43.89
O=C(C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019670287	0	42	-1.0	-51.02	355.61	2.63	-48.39
O=C(C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019670287	1	42	-1.0	-51.04	355.68	2.64	-48.40
COC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670288	0	37	-1.0	-51.38	319.21	4.07	-47.31
COC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670288	1	37	-1.0	-51.41	319.27	4.09	-47.32
CCC(OC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670289	0	40	-1.0	-60.82	332.28	6.02	-54.80
CCC(OC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670289	1	40	-1.0	-60.82	332.34	6.05	-54.77
O=C(C1=CNC=C1)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670290	0	40	-1.0	-58.96	333.64	4.78	-54.18
O=C(C1=CNC=C1)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670290	1	40	-1.0	-58.98	333.70	4.80	-54.18
O=C(C1=C(Br)C=CO1)N1CCCC1C1=N[N-]N=N1	REAL300019670291	0	27	-1.0	-52.66	254.55	2.66	-50.00
O=C(C1=C(Br)C=CO1)N1CCCC1C1=NN=N[N-]1	REAL300019670291	1	27	-1.0	-52.66	254.61	2.68	-49.98
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL300019670292	0	39	-1.0	-62.11	326.80	5.74	-56.37
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL300019670292	1	39	-1.0	-62.13	326.86	5.76	-56.37
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670293	0	55	-1.0	-54.95	418.18	3.16	-51.79
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670293	1	55	-1.0	-54.98	418.24	3.19	-51.79
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670293	1	56	0.0	-73.24	421.72	5.53	-67.71
NC(=O)C1=CC=CC(OCCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670294	0	41	-1.0	-56.16	343.71	1.07	-55.09
NC(=O)C1=CC=CC(OCCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670294	1	41	-1.0	-56.17	343.77	1.09	-55.08
O=C(C1=CC=C(CS(=O)(=O)C(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670295	0	39	-1.0	-60.86	349.37	2.20	-58.66
O=C(C1=CC=C(CS(=O)(=O)C(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670295	1	39	-1.0	-60.88	349.43	2.21	-58.67
CC1=CC=C(OCCCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300019670296	0	46	-1.0	-56.54	369.04	6.28	-50.26
CC1=CC=C(OCCCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300019670296	1	46	-1.0	-56.53	369.10	6.30	-50.23
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(C2=CN(C)N=C2)O1	REAL300019670297	0	39	-1.0	-53.95	334.96	1.76	-52.19
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(C2=CN(C)N=C2)O1	REAL300019670297	1	39	-1.0	-53.97	334.91	1.73	-52.24
CC(C)C1=NN=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019670298	0	40	-1.0	-53.46	335.05	-0.24	-53.70
CC(C)C1=NN=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019670298	1	40	-1.0	-53.48	335.11	-0.22	-53.70
COCCCOC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670299	0	44	-1.0	-53.76	357.72	3.69	-50.07
COCCCOC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670299	1	44	-1.0	-53.82	357.78	3.71	-50.11
O=C(C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)N1CCCC1C1=N[N-]N=N1	REAL300019670300	0	43	-1.0	-57.52	365.77	5.95	-51.57
O=C(C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)N1CCCC1C1=NN=N[N-]1	REAL300019670300	1	43	-1.0	-57.54	365.83	5.98	-51.56
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670301	0	41	-1.0	-40.96	350.31	6.53	-34.43
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670301	1	41	-1.0	-40.95	350.37	6.52	-34.43
N#CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670302	0	42	-1.0	-45.07	364.58	7.46	-37.61
N#CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670302	1	42	-1.0	-45.07	364.62	7.43	-37.64
CSCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300019670303	0	37	-1.0	-40.83	315.53	4.95	-35.88
CSCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300019670303	1	37	-1.0	-40.79	315.60	4.95	-35.84
O=C(C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670304	0	39	-1.0	-52.38	354.92	5.43	-46.95
O=C(C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670304	1	39	-1.0	-52.37	354.86	5.41	-46.96
O=C(CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1)NC1CCCCC1	REAL300019670305	0	50	-1.0	-69.99	397.11	3.47	-66.52
O=C(CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1)NC1CCCCC1	REAL300019670305	1	50	-1.0	-70.00	397.05	3.46	-66.54
COC1=CC=C(C(C)CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670306	0	43	-1.0	-53.01	343.56	5.20	-47.81
COC1=CC=C(C(C)CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670306	1	43	-1.0	-52.99	343.61	5.22	-47.77
N#CCSC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670307	0	35	-1.0	-61.84	311.71	5.14	-56.70
N#CCSC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670307	1	35	-1.0	-61.86	311.77	5.17	-56.69
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019670308	0	38	-1.0	-37.76	305.65	4.91	-32.85
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019670308	1	38	-1.0	-37.78	305.71	4.91	-32.87
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670309	0	35	-1.0	-52.51	311.49	5.40	-47.11
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670309	1	35	-1.0	-52.43	311.43	5.37	-47.06
CC(C)(C)OC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670310	0	43	-1.0	-52.20	332.13	4.76	-47.44
CC(C)(C)OC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670310	1	43	-1.0	-52.19	332.19	4.78	-47.41
O=C(C1=CN(C2=CC=CC(Cl)=C2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670311	0	37	-1.0	-53.87	328.15	7.24	-46.63
O=C(C1=CN(C2=CC=CC(Cl)=C2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670311	1	37	-1.0	-53.92	328.09	7.21	-46.71
CC1=CC=C(CCCC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670312	0	39	-1.0	-53.80	334.27	6.15	-47.65
CC1=CC=C(CCCC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019670312	1	39	-1.0	-53.78	334.33	6.17	-47.61
CC1(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)NC(=O)NC1=O	REAL300019670313	0	42	-1.0	-45.36	340.96	0.11	-45.25
CC1(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)NC(=O)NC1=O	REAL300019670313	1	42	-1.0	-45.42	341.02	0.12	-45.30
CC1=NC2=CC=CC=C2N1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670314	0	39	-1.0	-60.07	326.38	5.47	-54.60
CC1=NC2=CC=CC=C2N1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670314	1	39	-1.0	-60.10	326.43	5.48	-54.62
COC1=C2OC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=C(C=O)C=C1	REAL300019670315	0	39	-1.0	-64.45	333.46	3.44	-61.01
COC1=C2OC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=C(C=O)C=C1	REAL300019670315	1	39	-1.0	-64.43	333.52	3.47	-60.96
CC(=CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019670316	0	37	-1.0	-51.72	325.08	6.45	-45.27
CC(=CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019670316	1	37	-1.0	-51.72	325.14	6.47	-45.25
O=C(C1=CC(=O)NC2=C(Br)C=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670317	0	36	-1.0	-51.92	328.43	3.58	-48.34
O=C(C1=CC(=O)NC2=C(Br)C=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670317	1	36	-1.0	-51.91	328.48	3.60	-48.31
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670318	0	42	-1.0	-53.12	367.86	6.36	-46.76
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670318	1	42	-1.0	-53.10	367.80	6.34	-46.76
COC(=O)COC1=C(C)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300019670319	0	46	-1.0	-45.71	369.60	5.66	-40.05
COC(=O)COC1=C(C)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300019670319	1	46	-1.0	-45.73	369.66	5.65	-40.08
O=C(C1=CC(OC2=CC=CC=C2)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670320	0	40	-1.0	-56.25	337.30	5.61	-50.64
O=C(C1=CC(OC2=CC=CC=C2)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670320	1	40	-1.0	-56.27	337.24	5.59	-50.68
O=C(C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)N1CCCC1C1=N[N-]N=N1	REAL300019670321	0	42	-1.0	-52.43	356.53	6.47	-45.96
O=C(C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)N1CCCC1C1=NN=N[N-]1	REAL300019670321	1	42	-1.0	-52.44	356.59	6.48	-45.96
O=C(CCSC1=CC=NC2=CC(Cl)=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019670322	0	42	-1.0	-51.28	374.38	6.71	-44.57
O=C(CCSC1=CC=NC2=CC(Cl)=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019670322	1	42	-1.0	-51.30	374.33	6.69	-44.61
O=C(C1=CC(C(F)(F)F)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670323	0	33	-1.0	-53.52	295.64	4.62	-48.90
O=C(C1=CC(C(F)(F)F)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670323	1	33	-1.0	-53.50	295.70	4.64	-48.86
CC(SC1=CC=CC=N1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670324	0	36	-1.0	-53.66	311.54	4.48	-49.18
CC(SC1=CC=CC=N1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670324	1	36	-1.0	-53.63	311.48	4.45	-49.18
O=C(C=CSCC1=CC=CO1)N1CCCC1C1=N[N-]N=N1	REAL300019670325	0	35	-1.0	-53.02	316.02	4.59	-48.43
O=C(C=CSCC1=CC=CO1)N1CCCC1C1=NN=N[N-]1	REAL300019670325	1	35	-1.0	-53.02	316.08	4.61	-48.41
O=C(CC1=CC=CC(I)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670326	0	33	-1.0	-50.66	307.03	5.76	-44.90
O=C(CC1=CC=CC(I)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670326	1	33	-1.0	-50.69	307.09	5.79	-44.90
COC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019670327	0	37	-1.0	-51.39	322.97	4.40	-46.99
COC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019670327	1	37	-1.0	-51.35	323.03	4.43	-46.92
O=C(C1=CC(F)=CC([N+](=O)[O-])=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670328	0	32	-1.0	-35.57	290.88	4.27	-31.30
O=C(C1=CC(F)=CC([N+](=O)[O-])=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670328	1	32	-1.0	-35.59	290.94	4.28	-31.31
COC1=CC=C(C(=O)CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300019670329	0	42	-1.0	-52.96	356.53	4.69	-48.27
COC1=CC=C(C(=O)CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300019670329	1	42	-1.0	-52.98	356.59	4.71	-48.27
CC1=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300019670330	0	39	-1.0	-50.15	340.12	6.66	-43.49
CC1=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300019670330	1	39	-1.0	-50.16	340.18	6.69	-43.47
CS(=O)(=O)NCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019670331	0	38	-1.0	-63.09	336.31	-0.99	-64.08
CS(=O)(=O)NCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019670331	1	38	-1.0	-63.11	336.37	-0.96	-64.07
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300019670332	0	47	-1.0	-53.98	370.56	5.58	-48.40
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300019670332	1	47	-1.0	-53.95	370.50	5.56	-48.39
O=C(CCCCNC(=O)OCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670333	0	50	-1.0	-58.85	415.71	4.95	-53.90
O=C(CCCCNC(=O)OCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670333	1	50	-1.0	-58.86	415.77	4.97	-53.89
CC(C)CN(CC(=O)N1CCCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019670334	0	52	-1.0	-60.57	403.08	6.09	-54.48
CC(C)CN(CC(=O)N1CCCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019670334	1	52	-1.0	-60.59	403.14	6.12	-54.47
O=C(COCC=CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670335	0	41	-1.0	-57.75	344.89	6.36	-51.39
O=C(COCC=CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670335	1	41	-1.0	-57.72	344.94	6.39	-51.33
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670336	0	42	-1.0	-54.17	371.42	1.19	-52.98
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670336	1	42	-1.0	-54.19	371.48	1.21	-52.98
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300019670337	0	59	-1.0	-53.11	436.99	6.71	-46.40
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300019670337	1	59	-1.0	-53.09	437.05	6.73	-46.36
O=C(C1=CC=C(F)C(I)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670338	0	30	-1.0	-47.09	284.63	4.72	-42.37
O=C(C1=CC=C(F)C(I)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670338	1	30	-1.0	-47.08	284.69	4.74	-42.34
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670339	0	36	-1.0	-59.28	311.74	3.29	-55.99
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670339	1	36	-1.0	-59.33	311.79	3.31	-56.02
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670340	0	39	-1.0	-48.73	344.44	6.50	-42.23
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670340	1	39	-1.0	-48.73	344.50	6.51	-42.22
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019670341	0	35	-1.0	-58.68	312.67	-2.27	-60.95
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019670341	1	35	-1.0	-58.66	312.73	-2.25	-60.91
CN1C=NC(S(=O)(=O)NCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670342	0	38	-1.0	-57.97	337.41	-0.53	-58.50
CN1C=NC(S(=O)(=O)NCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670342	1	38	-1.0	-58.01	337.35	-0.56	-58.57
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670343	0	35	-1.0	-49.65	325.68	5.85	-43.80
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670343	1	35	-1.0	-49.69	325.74	5.87	-43.82
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670344	0	38	-1.0	-52.16	328.89	6.15	-46.01
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670344	1	38	-1.0	-52.12	328.94	6.17	-45.95
O=C(C1=CN=C(CC2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670345	0	39	-1.0	-53.51	339.91	5.14	-48.37
O=C(C1=CN=C(CC2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670345	1	39	-1.0	-53.51	339.97	5.17	-48.34
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670346	0	40	-1.0	-53.90	347.66	6.97	-46.93
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019670346	1	40	-1.0	-53.93	347.72	6.99	-46.94
CC(C)(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670347	0	39	-1.0	-53.25	321.99	5.10	-48.15
CC(C)(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019670347	1	39	-1.0	-53.28	322.05	5.13	-48.15
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670348	0	44	-1.0	-55.98	379.56	7.51	-48.47
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670348	1	44	-1.0	-55.98	379.50	7.49	-48.49
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670349	0	41	-1.0	-49.78	339.46	5.43	-44.35
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670349	1	41	-1.0	-49.79	339.40	5.42	-44.37
O=C(C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300019670350	0	40	-1.0	-54.72	349.86	3.79	-50.93
O=C(C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300019670350	1	40	-1.0	-54.70	349.92	3.82	-50.88
CC1=CC=C(Br)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670351	0	33	-1.0	-53.32	291.85	4.82	-48.50
CC1=CC=C(Br)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670351	1	33	-1.0	-53.32	291.90	4.84	-48.48
CS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300019670352	0	36	-1.0	-53.31	336.75	1.97	-51.34
CS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300019670352	1	36	-1.0	-53.35	336.81	1.98	-51.37
O=C(CCC(=O)N1CCCC1C1=N[N-]N=N1)C1=C(Cl)SC(Cl)=C1	REAL300019670353	0	35	-1.0	-48.46	343.11	5.50	-42.96
O=C(CCC(=O)N1CCCC1C1=NN=N[N-]1)C1=C(Cl)SC(Cl)=C1	REAL300019670353	1	35	-1.0	-48.47	343.17	5.52	-42.95
O=C(CCC(=O)N1CCCC1C1=N[N-]N=N1)C1=CSC2=CC=CC=C12	REAL300019670354	0	41	-1.0	-51.97	354.65	6.64	-45.33
O=C(CCC(=O)N1CCCC1C1=NN=N[N-]1)C1=CSC2=CC=CC=C12	REAL300019670354	1	41	-1.0	-51.97	354.71	6.66	-45.31
O=C(C1=CC(F)=CC(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670355	0	33	-1.0	-48.69	296.21	4.62	-44.07
O=C(C1=CC(F)=CC(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670355	1	33	-1.0	-48.72	296.27	4.64	-44.08
O=C(CCCC1=CSC2=CC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670356	0	42	-1.0	-55.87	358.49	7.60	-48.27
O=C(CCCC1=CSC2=CC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670356	1	42	-1.0	-55.88	358.55	7.63	-48.25
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670357	0	40	-1.0	-50.27	345.61	5.50	-44.77
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670357	1	40	-1.0	-50.27	345.55	5.48	-44.79
CC1=CC=C(OCCCC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300019670358	0	46	-1.0	-55.93	372.11	6.49	-49.44
CC1=CC=C(OCCCC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300019670358	1	46	-1.0	-55.93	372.17	6.51	-49.42
O=C(CCCC1=C(Cl)SC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670359	0	36	-1.0	-52.07	344.56	6.36	-45.71
O=C(CCCC1=C(Cl)SC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670359	1	36	-1.0	-52.07	344.61	6.38	-45.69
CC1=CC(I)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300019670360	0	36	-1.0	-50.39	316.70	5.90	-44.49
CC1=CC(I)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300019670360	1	36	-1.0	-50.44	316.76	5.92	-44.52
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300019670361	0	46	-2.0	-130.64	380.01	5.33	-125.31
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300019670361	1	46	-2.0	-130.58	380.07	5.35	-125.23
O=C(C1=CC=CC(OC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670362	0	34	-1.0	-52.57	296.68	3.35	-49.22
O=C(C1=CC=CC(OC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670362	1	34	-1.0	-52.56	296.74	3.37	-49.19
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1I	REAL300019670363	0	34	-1.0	-51.18	306.82	3.98	-47.20
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1I	REAL300019670363	1	34	-1.0	-51.19	306.87	4.00	-47.19
CC1=CC=C(I)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670364	0	33	-1.0	-50.44	298.75	5.34	-45.10
CC1=CC=C(I)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670364	1	33	-1.0	-50.48	298.80	5.35	-45.13
O=C(CCSC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670365	0	36	-1.0	-56.60	317.57	4.37	-52.23
O=C(CCSC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670365	1	36	-1.0	-56.58	317.51	4.35	-52.23
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670366	0	41	-1.0	-60.59	349.98	-1.69	-62.28
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670366	1	41	-1.0	-60.54	349.92	-1.71	-62.25
COC(=O)NC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019670367	0	41	-1.0	-54.49	357.07	2.77	-51.72
COC(=O)NC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019670367	1	41	-1.0	-54.47	357.13	2.80	-51.67
O=C(C1=CC=C(Br)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670368	0	30	-1.0	-47.11	287.44	4.67	-42.44
O=C(C1=CC=C(Br)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670368	1	30	-1.0	-47.15	287.50	4.69	-42.46
O=C(C1=CC=NC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670369	0	29	-1.0	-50.41	264.58	2.40	-48.01
O=C(C1=CC=NC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670369	1	29	-1.0	-50.41	264.53	2.38	-48.03
COC1=C(S(N)(=O)=O)SC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670370	0	36	-1.0	-57.82	326.90	-3.17	-60.99
COC1=C(S(N)(=O)=O)SC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670370	1	36	-1.0	-57.80	326.96	-3.16	-60.96
COC1=CC=C2OCC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=C1	REAL300019670371	0	40	-1.0	-46.09	321.09	2.61	-43.48
COC1=CC=C2OCC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=C1	REAL300019670371	1	40	-1.0	-46.11	320.72	2.74	-43.37
O=C(C1=CC(C2=CC=CC=C2F)=NN1)N1CCCC1C1=N[N-]N=N1	REAL300019670372	0	37	-1.0	-52.60	315.73	4.18	-48.42
O=C(C1=CC(C2=CC=CC=C2F)=NN1)N1CCCC1C1=NN=N[N-]1	REAL300019670372	1	37	-1.0	-52.60	315.79	4.20	-48.40
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670373	0	40	-1.0	-47.36	325.66	3.83	-43.53
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670373	1	40	-1.0	-47.35	325.71	3.85	-43.50
O=C(C1=NN(C2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670374	0	40	-1.0	-55.00	320.12	4.65	-50.35
O=C(C1=NN(C2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670374	1	40	-1.0	-55.01	320.06	4.62	-50.39
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670375	0	42	-1.0	-52.95	356.42	3.00	-49.95
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670375	1	42	-1.0	-52.93	356.48	3.02	-49.91
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670376	0	40	-1.0	-50.94	339.03	6.27	-44.67
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670376	1	40	-1.0	-50.96	339.08	6.29	-44.67
CCC1=NOC(CC)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670377	0	41	-1.0	-55.16	338.75	4.95	-50.21
CCC1=NOC(CC)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670377	1	41	-1.0	-55.15	338.81	4.98	-50.17
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300019670378	0	46	-1.0	-54.66	382.09	7.40	-47.26
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300019670378	1	46	-1.0	-54.66	382.15	7.42	-47.24
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300019670379	0	40	-1.0	-51.78	343.83	3.49	-48.29
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300019670379	1	40	-1.0	-51.81	343.88	3.51	-48.30
CN1C=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300019670380	0	43	-1.0	-56.61	354.98	7.25	-49.36
CN1C=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300019670380	1	43	-1.0	-56.62	355.04	7.28	-49.34
O=C(CCC1=CC=C2OCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670381	0	41	-1.0	-52.26	336.53	5.32	-46.94
O=C(CCC1=CC=C2OCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670381	1	41	-1.0	-52.23	336.59	5.34	-46.89
O=C(CCC(=O)N1CCN(C2=CC=CC=N2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019670382	0	51	-1.0	-53.14	404.15	4.37	-48.77
O=C(CCC(=O)N1CCN(C2=CC=CC=N2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019670382	1	51	-1.0	-53.13	404.21	4.40	-48.73
O=C(CCC(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019670383	0	52	-1.0	-50.57	406.49	4.93	-45.64
O=C(CCC(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019670383	1	52	-1.0	-50.54	406.54	4.95	-45.59
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670384	0	45	-1.0	-62.64	385.12	-2.42	-65.06
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670384	1	45	-1.0	-62.68	385.17	-2.40	-65.08
O=C(C1=CC=NN1C1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300019670385	0	40	-1.0	-52.14	314.30	4.31	-47.83
O=C(C1=CC=NN1C1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300019670385	1	40	-1.0	-52.12	314.24	4.29	-47.83
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019670386	0	50	-1.0	-54.15	400.59	4.63	-49.52
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019670386	1	50	-1.0	-54.15	400.54	4.60	-49.55
O=C(C1=CN=CC(OCC(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670387	0	36	-1.0	-58.32	310.18	2.22	-56.10
O=C(C1=CN=CC(OCC(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670387	1	36	-1.0	-58.32	310.13	2.21	-56.11
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019670388	0	41	-1.0	-58.26	350.02	0.67	-57.59
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019670388	1	41	-1.0	-58.24	350.08	0.69	-57.55
CCC1=NC(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=NN1	REAL300019670389	0	42	-1.0	-56.44	349.23	4.91	-51.53
CCC1=NC(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=NN1	REAL300019670389	1	42	-1.0	-56.47	349.29	4.93	-51.54
O=C(C1=CC(Br)=CC([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670390	0	32	-1.0	-49.82	300.25	4.82	-45.00
O=C(C1=CC(Br)=CC([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670390	1	32	-1.0	-49.82	300.30	4.83	-44.99
O=C(C#CC1=CC=C2OCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670391	0	35	-1.0	-52.55	312.96	4.02	-48.53
O=C(C#CC1=CC=C2OCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670391	1	35	-1.0	-52.56	313.02	4.05	-48.51
CC1=CC=C(C2=CN=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300019670392	0	42	-1.0	-52.58	341.34	5.86	-46.72
CC1=CC=C(C2=CN=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300019670392	1	42	-1.0	-52.58	341.28	5.84	-46.74
COC1=CC=C(C2=CN=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300019670393	0	43	-1.0	-52.50	350.23	4.48	-48.02
COC1=CC=C(C2=CN=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300019670393	1	43	-1.0	-52.48	350.18	4.46	-48.02
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670394	0	40	-1.0	-53.95	350.19	5.36	-48.59
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670394	1	40	-1.0	-53.91	350.24	5.38	-48.53
O=C(C1=CC=C(Br)C(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670395	0	33	-1.0	-34.81	299.54	4.53	-30.28
O=C(C1=CC=C(Br)C(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670395	1	33	-1.0	-34.79	299.60	4.53	-30.26
O=C(C1=CN=CC(C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670396	0	39	-1.0	-52.57	319.95	5.19	-47.38
O=C(C1=CN=CC(C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670396	1	39	-1.0	-52.63	319.90	5.16	-47.47
O=C(C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670397	0	39	-1.0	-50.99	337.51	5.70	-45.29
O=C(C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670397	1	39	-1.0	-50.96	337.45	5.68	-45.28
CCC(CC1=CC=CC=C1Br)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670398	0	42	-1.0	-53.52	348.83	6.81	-46.71
CCC(CC1=CC=CC=C1Br)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670398	1	42	-1.0	-53.47	348.89	6.83	-46.64
O=C(C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670399	0	44	-1.0	-54.31	355.87	5.04	-49.27
O=C(C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670399	1	44	-1.0	-54.30	355.82	5.02	-49.28
CCC(CC)N1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670400	0	42	-1.0	-51.97	330.24	4.47	-47.50
CCC(CC)N1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670400	1	42	-1.0	-51.92	330.18	4.45	-47.47
COC1=CC=C(Br)C(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670401	0	37	-1.0	-53.42	326.42	4.43	-48.99
COC1=CC=C(Br)C(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670401	1	37	-1.0	-53.45	326.48	4.45	-49.00
COC1=CC=C(C(=O)NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1	REAL300019670402	0	45	-1.0	-58.07	383.52	4.04	-54.03
COC1=CC=C(C(=O)NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1	REAL300019670402	1	45	-1.0	-58.07	383.58	4.06	-54.01
CCCOC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670403	0	43	-1.0	-53.53	352.11	5.69	-47.84
CCCOC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670403	1	43	-1.0	-53.53	352.17	5.72	-47.81
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670404	0	40	-1.0	-52.25	351.28	6.00	-46.25
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670404	1	40	-1.0	-52.27	351.26	5.97	-46.30
O=C(C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670405	0	49	-1.0	-53.36	388.13	8.67	-44.69
O=C(C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670405	1	49	-1.0	-53.34	388.18	8.69	-44.65
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670406	0	37	-1.0	-59.11	321.62	4.23	-54.88
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670406	1	37	-1.0	-59.08	321.67	4.26	-54.82
COCCCS(=O)(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670407	0	41	-1.0	-63.92	352.39	-2.09	-66.01
COCCCS(=O)(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670407	1	41	-1.0	-63.93	352.45	-2.07	-66.00
O=C(C1=CC(C(F)(F)F)=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670408	0	33	-1.0	-50.05	309.14	5.16	-44.89
O=C(C1=CC(C(F)(F)F)=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670408	1	33	-1.0	-50.08	309.20	5.17	-44.91
CCC(CC)N1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019670409	0	42	-1.0	-55.89	334.43	4.70	-51.19
CCC(CC)N1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019670409	1	42	-1.0	-55.86	334.37	4.67	-51.19
N#CC1=CC=CC=C1NC(=O)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670410	0	44	-1.0	-63.25	374.14	4.96	-58.29
N#CC1=CC=CC=C1NC(=O)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670410	1	44	-1.0	-63.26	374.20	4.98	-58.28
O=C(C1=CC=C(SC2CCOC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670411	0	41	-1.0	-53.75	337.22	5.21	-48.54
O=C(C1=CC=C(SC2CCOC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670411	1	41	-1.0	-53.76	337.28	5.21	-48.55
CC1=CC=CC(C2=CN=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)=C1	REAL300019670412	0	42	-1.0	-52.83	341.49	5.80	-47.03
CC1=CC=CC(C2=CN=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)=C1	REAL300019670412	1	42	-1.0	-52.80	341.44	5.77	-47.03
COC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300019670413	0	36	-1.0	-50.32	310.64	4.27	-46.05
COC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300019670413	1	36	-1.0	-50.36	310.70	4.30	-46.06
CC1(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)NC(=O)NC1=O	REAL300019670414	0	42	-1.0	-58.79	346.80	0.59	-58.20
CC1(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)NC(=O)NC1=O	REAL300019670414	1	42	-1.0	-58.79	346.85	0.61	-58.18
CC1(C)C(=O)NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300019670415	0	41	-1.0	-52.93	333.94	3.04	-49.89
CC1(C)C(=O)NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300019670415	1	41	-1.0	-52.94	334.00	3.06	-49.88
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)N1CCCC1C1=N[N-]N=N1)C2=O	REAL300019670416	0	51	-1.0	-61.45	391.74	3.43	-58.02
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)N1CCCC1C1=NN=N[N-]1)C2=O	REAL300019670416	1	51	-1.0	-61.47	391.80	3.44	-58.03
CC(C)OC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300019670417	0	39	-1.0	-50.02	319.81	2.19	-47.83
CC(C)OC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300019670417	1	39	-1.0	-50.03	319.75	2.16	-47.87
O=C(CSC1=NC2=CC=CC=C2N1)N1CCCC1C1=NN=N[N-]1	REAL300019670418	0	37	-1.0	-52.68	327.26	4.12	-48.56
O=C(CSC1=NC2=CC=CC=C2N1)N1CCCC1C1=N[N-]N=N1	REAL300019670418	1	37	-1.0	-52.66	327.21	4.10	-48.56
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670419	0	32	-2.0	-91.57	286.40	2.11	-89.46
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670419	1	32	-2.0	-91.58	286.46	2.12	-89.46
O=C(C1=CC(O)=CC([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670419	1	33	-1.0	-53.33	289.97	1.35	-51.98
O=C(C1=CC(O)=CC([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670419	1	33	-1.0	-53.32	290.03	1.37	-51.95
N#CC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019670420	0	30	-1.0	-50.47	281.92	3.67	-46.80
N#CC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019670420	1	30	-1.0	-50.47	281.86	3.64	-46.83
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670421	0	41	-1.0	-62.79	354.21	5.62	-57.17
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670421	1	41	-1.0	-62.77	354.16	5.59	-57.18
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670422	0	46	-2.0	-103.89	394.31	2.73	-101.16
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019670422	1	46	-2.0	-103.92	394.37	2.76	-101.16
CC(C)CC1=NN=C(NC(=O)CCC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670422	1	47	-1.0	-55.69	398.86	3.99	-51.70
CNC(=O)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019670423	0	36	-1.0	-52.04	304.76	1.06	-50.98
CNC(=O)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019670423	1	36	-1.0	-51.98	304.70	1.04	-50.94
CC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019670424	0	36	-1.0	-50.94	314.88	5.77	-45.17
CC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019670424	1	36	-1.0	-50.94	314.94	5.79	-45.15
O=C(C1=CC(I)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670425	0	30	-1.0	-39.73	275.96	4.30	-35.43
O=C(C1=CC(I)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670425	1	30	-1.0	-39.76	276.02	4.29	-35.47
O=C(C1=CC=NC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670426	0	29	-1.0	-48.67	267.14	2.32	-46.35
O=C(C1=CC=NC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670426	1	29	-1.0	-48.68	267.08	2.29	-46.39
O=C(C1=CN(CC2=CC=CC(F)=C2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670427	0	39	-1.0	-53.72	340.55	4.45	-49.27
O=C(C1=CN(CC2=CC=CC(F)=C2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670427	1	39	-1.0	-53.72	340.49	4.42	-49.30
O=C(C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670428	0	43	-1.0	-40.08	372.26	7.86	-32.22
O=C(C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670428	1	43	-1.0	-40.07	372.32	7.86	-32.21
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670429	0	37	-1.0	-53.19	323.07	3.01	-50.18
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670429	1	37	-1.0	-53.19	323.13	3.02	-50.17
CC(=O)NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019670430	0	37	-1.0	-47.55	312.65	2.56	-44.99
CC(=O)NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019670430	1	37	-1.0	-47.53	312.71	2.57	-44.96
O=C(C1=C(F)C=C2NC(=O)CCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670431	0	38	-1.0	-56.03	317.96	2.88	-53.15
O=C(C1=C(F)C=C2NC(=O)CCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670431	1	38	-1.0	-56.03	318.01	2.89	-53.14
O=C(CCC1=NC(C2CCCC2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300019670432	0	44	-1.0	-50.26	357.80	3.44	-46.82
O=C(CCC1=NC(C2CCCC2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300019670432	1	44	-1.0	-50.28	357.86	3.47	-46.81
O=C(CSC1=CC=C(O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670433	0	35	-1.0	-54.10	308.79	2.29	-51.81
O=C(CSC1=CC=C(O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670433	1	35	-1.0	-54.12	308.85	2.32	-51.80
O=C(CC1=CC=C(F)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019670434	0	33	-1.0	-49.22	299.89	5.17	-44.05
O=C(CC1=CC=C(F)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019670434	1	33	-1.0	-49.20	299.95	5.19	-44.01
CCOCCS(=O)(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670435	0	41	-1.0	-60.10	352.75	-1.92	-62.02
CCOCCS(=O)(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670435	1	41	-1.0	-60.09	352.80	-1.90	-61.99
O=C(CC1=CC(F)=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670436	0	33	-1.0	-53.51	297.35	4.83	-48.68
O=C(CC1=CC(F)=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670436	1	33	-1.0	-53.54	297.40	4.85	-48.69
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670437	0	36	-1.0	-49.39	316.78	5.30	-44.09
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670437	1	36	-1.0	-49.43	316.72	5.28	-44.15
COC1=CC=C(OCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300019670438	0	41	-1.0	-57.37	337.71	4.62	-52.75
COC1=CC=C(OCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300019670438	1	41	-1.0	-57.37	337.77	4.65	-52.72
CCC(OC1CCCCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670439	0	46	-1.0	-57.04	345.62	5.71	-51.33
CCC(OC1CCCCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670439	1	46	-1.0	-57.04	345.67	5.73	-51.31
O=C(C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670440	0	40	-1.0	-66.27	350.47	5.75	-60.52
O=C(C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670440	1	40	-1.0	-66.26	350.41	5.73	-60.53
O=C(CCCC1=CC=CC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670441	0	39	-1.0	-54.68	343.51	6.86	-47.82
O=C(CCCC1=CC=CC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670441	1	39	-1.0	-54.63	343.57	6.89	-47.74
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670442	0	39	-1.0	-51.13	343.42	-2.81	-53.94
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670442	1	39	-1.0	-51.11	343.48	-2.79	-53.90
CC(C)(C)OC(=O)N(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019670443	0	50	-1.0	-60.83	404.50	7.06	-53.77
CC(C)(C)OC(=O)N(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019670443	1	50	-1.0	-60.84	404.56	7.09	-53.75
CC(C)(C)OC(=O)N1CCCC(OCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670444	0	54	-1.0	-56.35	418.85	5.36	-50.99
CC(C)(C)OC(=O)N1CCCC(OCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670444	1	54	-1.0	-56.33	418.91	5.39	-50.94
O=C(CSC1=NC=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019670445	0	39	-1.0	-55.14	339.21	5.82	-49.32
O=C(CSC1=NC=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019670445	1	39	-1.0	-55.16	339.16	5.79	-49.37
CC1=CC=C(C2=NC(SCC(=O)N3CCCC3C3=N[N-]N=N3)=NN2)C=C1	REAL300019670446	0	43	-1.0	-56.40	377.30	5.86	-50.54
CC1=CC=C(C2=NC(SCC(=O)N3CCCC3C3=NN=N[N-]3)=NN2)C=C1	REAL300019670446	1	43	-1.0	-56.39	377.36	5.89	-50.50
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670447	0	43	-2.0	-103.64	376.62	2.09	-101.55
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019670447	1	43	-2.0	-103.66	376.68	2.12	-101.54
CC(C)C1=NN=C(NC(=O)CCC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670447	1	44	-1.0	-56.02	379.92	3.22	-52.80
CC(C)C1=NN=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019670448	0	38	-1.0	-51.10	325.65	-0.38	-51.48
CC(C)C1=NN=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019670448	1	38	-1.0	-51.10	325.71	-0.36	-51.46
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019670449	0	48	-1.0	-50.48	378.70	5.66	-44.82
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019670449	1	48	-1.0	-50.49	378.75	5.67	-44.82
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(Br)S1	REAL300019670450	0	30	-1.0	-52.52	283.33	4.03	-48.49
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(Br)S1	REAL300019670450	1	30	-1.0	-52.52	283.38	4.05	-48.47
CSC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300019670451	0	34	-1.0	-49.00	321.55	5.50	-43.50
CSC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300019670451	1	34	-1.0	-48.98	321.61	5.52	-43.46
CC(OC1CCCCCC1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670452	0	46	-1.0	-56.45	343.16	5.58	-50.87
CC(OC1CCCCCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670452	1	46	-1.0	-56.43	343.21	5.61	-50.82
CC(=O)NC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019670453	0	40	-1.0	-57.86	345.92	3.44	-54.42
CC(=O)NC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019670453	1	40	-1.0	-57.85	345.98	3.48	-54.37
CC1=C(I)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670454	0	33	-1.0	-50.61	295.16	5.20	-45.41
CC1=C(I)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670454	1	33	-1.0	-50.60	295.21	5.21	-45.39
O=C(CCC1=NN=C(C2CCCC2)O1)N1CCCC1C1=N[N-]N=N1	REAL300019670455	0	44	-1.0	-53.47	358.12	1.04	-52.43
O=C(CCC1=NN=C(C2CCCC2)O1)N1CCCC1C1=NN=N[N-]1	REAL300019670455	1	44	-1.0	-53.48	358.17	1.06	-52.42
CC1=CC=C(OCCCC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019670456	0	43	-1.0	-58.12	368.04	6.29	-51.83
CC1=CC=C(OCCCC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019670456	1	43	-1.0	-58.17	368.10	6.31	-51.86
O=C(CCCC1=CC=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670457	0	39	-1.0	-53.47	338.41	6.68	-46.79
O=C(CCCC1=CC=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670457	1	39	-1.0	-53.42	338.46	6.70	-46.72
CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670458	0	49	-1.0	-53.02	382.09	2.96	-50.06
CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670458	1	49	-1.0	-53.04	382.15	2.98	-50.06
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300019670459	0	59	-1.0	-55.75	436.64	6.72	-49.03
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300019670459	1	59	-1.0	-55.74	436.70	6.75	-48.99
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670460	0	42	-1.0	-61.27	366.14	1.00	-60.27
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670460	1	42	-1.0	-61.26	366.19	1.03	-60.23
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670461	0	45	-1.0	-40.47	372.84	7.00	-33.47
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670461	1	45	-1.0	-40.47	372.91	7.01	-33.46
COC1=CC=CC(OC)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670462	0	41	-1.0	-57.08	335.63	3.39	-53.69
COC1=CC=CC(OC)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670462	1	41	-1.0	-57.08	335.69	3.42	-53.66
O=C(CC1=NN(C2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670463	0	40	-1.0	-61.95	337.29	5.84	-56.11
O=C(CC1=NN(C2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670463	1	40	-1.0	-61.94	337.35	5.86	-56.08
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(I)=C1	REAL300019670464	0	34	-1.0	-40.17	296.28	3.45	-36.72
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(I)=C1	REAL300019670464	1	34	-1.0	-40.17	296.34	3.44	-36.73
O=C(C1=CC=C(Cl)C=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670465	0	30	-1.0	-36.86	278.13	4.21	-32.65
O=C(C1=CC=C(Cl)C=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670465	1	30	-1.0	-36.88	278.20	4.21	-32.67
CC(C)(C)C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670466	0	45	-1.0	-53.08	355.44	6.99	-46.09
CC(C)(C)C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670466	1	45	-1.0	-53.07	355.49	7.02	-46.05
CC(C)OC1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670467	0	39	-1.0	-50.36	315.70	2.61	-47.75
CC(C)OC1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670467	1	39	-1.0	-50.33	315.63	2.58	-47.75
CC1=NN(C)C(C)=C1OCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670468	0	40	-1.0	-58.68	336.17	3.53	-55.15
CC1=NN(C)C(C)=C1OCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670468	1	40	-1.0	-58.62	336.23	3.56	-55.06
O=C(C1=CN2C(=NN=C2C(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670469	0	35	-1.0	-39.89	297.94	4.25	-35.64
O=C(C1=CN2C(=NN=C2C(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670469	1	35	-1.0	-39.84	298.00	4.26	-35.58
CS(=O)(=O)N1CCN(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670470	0	43	-1.0	-61.23	349.73	-1.47	-62.70
CS(=O)(=O)N1CCN(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670470	1	43	-1.0	-61.22	349.79	-1.45	-62.67
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670471	0	36	-1.0	-54.61	305.25	2.96	-51.65
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670471	1	36	-1.0	-54.60	305.30	2.97	-51.63
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC1C1=N[N-]N=N1	REAL300019670472	0	42	-1.0	-60.06	353.76	7.49	-52.57
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC1C1=NN=N[N-]1	REAL300019670472	1	42	-1.0	-60.09	353.81	7.51	-52.58
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670473	0	45	-1.0	-41.69	353.77	5.74	-35.95
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670473	1	45	-1.0	-41.72	353.83	5.74	-35.98
CC1CCCC(OCCCCCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670474	0	55	-1.0	-54.17	419.95	7.48	-46.69
CC1CCCC(OCCCCCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670474	1	55	-1.0	-54.19	420.01	7.50	-46.69
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670475	0	47	-1.0	-50.39	382.61	-0.73	-51.12
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670475	1	47	-1.0	-50.37	382.67	-0.71	-51.08
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1CCOCC1	REAL300019670476	0	44	-1.0	-52.88	345.42	2.88	-50.00
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1CCOCC1	REAL300019670476	1	44	-1.0	-52.91	345.48	2.90	-50.01
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670477	0	40	-1.0	-58.25	338.17	6.45	-51.80
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670477	1	40	-1.0	-58.31	338.11	6.42	-51.89
O=C(C(O)CCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670478	0	40	-1.0	-51.90	328.26	4.01	-47.89
O=C(C(O)CCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670478	1	40	-1.0	-51.90	328.32	4.02	-47.88
O=C([C@H](O)C1=CC=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019670479	0	34	-1.0	-49.28	291.68	2.15	-47.13
O=C([C@H](O)C1=CC=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019670479	1	34	-1.0	-49.27	291.73	2.18	-47.09
COC1=CC=CC(C(O)C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670480	0	38	-1.0	-51.64	306.65	1.55	-50.09
COC1=CC=CC(C(O)C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670480	1	38	-1.0	-51.65	306.71	1.58	-50.07
O=C(C1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670481	0	32	-1.0	-46.18	291.95	4.64	-41.54
O=C(C1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670481	1	32	-1.0	-46.19	292.01	4.66	-41.53
COC(=O)C1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670482	0	39	-1.0	-54.34	334.06	5.32	-49.02
COC(=O)C1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670482	1	39	-1.0	-54.37	334.12	5.35	-49.02
O=C(C1=CC=NC(OC2CCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670483	0	40	-1.0	-39.94	319.44	2.32	-37.62
O=C(C1=CC=NC(OC2CCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670483	1	40	-1.0	-39.98	319.38	2.31	-37.67
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1CC(C)C	REAL300019670484	0	42	-1.0	-52.80	328.89	3.82	-48.98
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1CC(C)C	REAL300019670484	1	42	-1.0	-52.79	328.94	3.84	-48.95
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670485	0	56	-1.0	-58.13	424.21	6.31	-51.82
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670485	1	56	-1.0	-58.12	424.27	6.34	-51.78
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300019670486	0	52	-1.0	-59.53	409.98	8.42	-51.11
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300019670486	1	52	-1.0	-59.49	410.04	8.44	-51.05
CSC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300019670487	0	34	-1.0	-49.08	297.28	4.64	-44.44
CSC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300019670487	1	34	-1.0	-49.12	297.34	4.66	-44.46
O=C(C(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670488	0	34	-1.0	-50.28	310.63	3.27	-47.01
O=C(C(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670488	1	34	-1.0	-50.25	310.69	3.29	-46.96
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670489	0	30	-2.0	-114.18	279.42	3.47	-110.71
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670489	1	30	-2.0	-114.22	279.48	3.48	-110.74
O=C(C1=CC(OCC2=CC=CC=C2)=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL300019670490	0	45	-1.0	-45.90	365.20	4.88	-41.02
O=C(C1=CC(OCC2=CC=CC=C2)=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL300019670490	1	45	-1.0	-45.86	365.27	4.89	-40.97
O=C(C1=CC(OC2=CC=CC=C2)=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL300019670491	0	42	-1.0	-45.23	342.44	4.51	-40.72
O=C(C1=CC(OC2=CC=CC=C2)=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL300019670491	1	42	-1.0	-45.24	342.50	4.50	-40.74
CC(C)(C)NC(=O)NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(O)=C1	REAL300019670492	0	49	-1.0	-45.87	379.77	1.29	-44.58
CC(C)(C)NC(=O)NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(O)=C1	REAL300019670492	1	49	-1.0	-45.89	379.83	1.28	-44.61
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(O)=C1	REAL300019670493	0	48	-1.0	-42.76	375.33	1.95	-40.81
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(O)=C1	REAL300019670493	1	48	-1.0	-42.77	375.38	1.93	-40.84
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C([O-])=C1	REAL300019670493	1	47	-2.0	-122.22	371.77	2.96	-119.26
O=C(C1=CC=C2N=S=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670494	0	31	-1.0	-52.54	275.45	1.91	-50.63
O=C(C1=CC=C2N=S=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670494	1	31	-1.0	-52.55	275.51	1.93	-50.62
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300019670495	0	35	-1.0	-47.80	303.86	-1.90	-49.70
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300019670495	1	35	-1.0	-47.78	303.92	-1.89	-49.67
O=C(C1=CN=C(C2=CC=CN=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670496	0	35	-1.0	-52.69	312.01	2.75	-49.94
O=C(C1=CN=C(C2=CC=CN=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670496	1	35	-1.0	-52.69	311.95	2.73	-49.96
O=C(COC1=CC=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670497	0	34	-1.0	-58.98	308.56	5.23	-53.75
O=C(COC1=CC=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670497	1	34	-1.0	-59.02	308.62	5.26	-53.76
CC1=CC=C(C(C)C(O)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670498	0	43	-1.0	-51.68	339.54	4.19	-47.49
CC1=CC=C(C(C)C(O)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670498	1	43	-1.0	-51.72	339.60	4.20	-47.52
O=C(C1=CC=CC(Br)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670499	0	29	-1.0	-50.94	270.01	3.25	-47.69
O=C(C1=CC=CC(Br)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670499	1	29	-1.0	-50.96	269.95	3.23	-47.73
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670500	0	32	-2.0	-118.49	285.02	4.20	-114.29
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670500	1	32	-2.0	-118.44	285.08	4.23	-114.21
O=C(C1=CC(C2=CC=CC=N2)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019670501	0	39	-1.0	-57.98	338.60	6.02	-51.96
O=C(C1=CC(C2=CC=CC=N2)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019670501	1	39	-1.0	-57.95	338.54	6.01	-51.94
CCOC1=CC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1O	REAL300019670502	0	42	-1.0	-55.41	350.33	3.23	-52.18
CCOC1=CC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1O	REAL300019670502	1	42	-1.0	-55.42	350.39	3.26	-52.16
O=C(C1=CSC(C2=NC=CC=C2F)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670503	0	35	-1.0	-57.00	317.88	3.39	-53.61
O=C(C1=CSC(C2=NC=CC=C2F)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670503	1	35	-1.0	-57.01	317.93	3.40	-53.61
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)C=C1Br	REAL300019670504	0	36	-1.0	-49.38	310.40	5.42	-43.96
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)C=C1Br	REAL300019670504	1	36	-1.0	-49.39	310.46	5.43	-43.96
COC1=CC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300019670505	0	38	-1.0	-53.93	323.98	4.53	-49.40
COC1=CC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300019670505	1	38	-1.0	-53.93	324.03	4.55	-49.38
O=C(C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670506	0	39	-1.0	-69.96	339.03	6.47	-63.49
O=C(C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670506	1	39	-1.0	-69.95	338.98	6.45	-63.50
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670507	0	54	-1.0	-55.42	412.59	6.18	-49.24
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670507	1	54	-1.0	-55.37	412.65	6.21	-49.16
O=C(CC(O)C1=CC=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670508	0	37	-1.0	-54.22	313.74	3.27	-50.95
O=C(CC(O)C1=CC=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670508	1	37	-1.0	-54.17	313.80	3.29	-50.88
COC(=O)C1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019670509	0	34	-1.0	-48.10	299.18	1.50	-46.60
COC(=O)C1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019670509	1	34	-1.0	-48.09	299.12	1.48	-46.61
O=C(C1=CC=CN2C(=O)NN=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670510	0	33	-1.0	-55.52	291.32	2.21	-53.31
O=C(C1=CC=CN2C(=O)NN=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670510	1	33	-1.0	-55.53	291.38	2.23	-53.30
CS(=O)(=O)C1=CC=C(OCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670511	0	40	-1.0	-62.74	348.86	2.11	-60.63
CS(=O)(=O)C1=CC=C(OCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670511	1	40	-1.0	-62.71	348.92	2.13	-60.58
O=C(C1=CN=C2SCC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670512	0	35	-1.0	-51.65	305.70	0.64	-51.01
O=C(C1=CN=C2SCC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670512	1	35	-1.0	-51.67	305.64	0.61	-51.06
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670513	0	50	-1.0	-53.04	397.23	5.07	-47.97
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670513	1	50	-1.0	-53.08	397.29	5.10	-47.98
O=C(C1=NC=CN2C(Br)=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670514	0	32	-1.0	-60.37	296.90	3.95	-56.42
O=C(C1=NC=CN2C(Br)=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670514	1	32	-1.0	-60.37	296.84	3.92	-56.45
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300019670515	0	48	-1.0	-52.88	387.64	6.92	-45.96
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300019670515	1	48	-1.0	-52.88	387.69	6.94	-45.94
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2N1)N1CCCC1C1=N[N-]N=N1	REAL300019670516	0	37	-1.0	-49.27	322.98	5.07	-44.20
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2N1)N1CCCC1C1=NN=N[N-]1	REAL300019670516	1	37	-1.0	-49.23	323.04	5.08	-44.15
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670517	0	39	-1.0	-49.43	338.36	6.45	-42.98
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670517	1	39	-1.0	-49.44	338.42	6.48	-42.96
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670518	0	42	-1.0	-56.68	351.05	2.43	-54.25
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670518	1	42	-1.0	-56.69	351.10	2.46	-54.23
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300019670519	0	42	-1.0	-56.68	349.59	2.33	-54.35
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300019670519	1	42	-1.0	-56.63	349.65	2.35	-54.28
CC1=C2OC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=CC(Br)=C1	REAL300019670520	0	36	-1.0	-49.10	325.53	5.70	-43.40
CC1=C2OC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=CC(Br)=C1	REAL300019670520	1	36	-1.0	-49.09	325.59	5.73	-43.36
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670521	0	56	-1.0	-49.39	433.31	1.58	-47.81
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670521	1	56	-1.0	-49.40	433.37	1.60	-47.80
COCCOC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NC2=CC=CC=C21	REAL300019670522	0	46	-1.0	-55.21	379.10	4.47	-50.74
COCCOC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NC2=CC=CC=C21	REAL300019670522	1	46	-1.0	-55.20	379.04	4.44	-50.76
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019670523	0	40	-1.0	-50.12	350.25	7.18	-42.94
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019670523	1	40	-1.0	-50.15	350.30	7.20	-42.95
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670524	0	37	-1.0	-50.82	323.45	6.14	-44.68
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670524	1	37	-1.0	-50.81	323.51	6.15	-44.66
O=C(C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670525	0	39	-1.0	-57.20	345.11	5.40	-51.80
O=C(C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670525	1	39	-1.0	-57.20	345.05	5.39	-51.81
O=C(C1=CC2=CC(F)=CC=C2OC1)N1CCCC1C1=N[N-]N=N1	REAL300019670526	0	36	-1.0	-42.82	298.05	3.39	-39.43
O=C(C1=CC2=CC(F)=CC=C2OC1)N1CCCC1C1=NN=N[N-]1	REAL300019670526	1	36	-1.0	-42.80	297.75	3.52	-39.28
O=C(C1COC2=CC=C(F)C=C2C1)N1CCCC1C1=N[N-]N=N1	REAL300019670527	0	38	-1.0	-49.39	311.43	4.27	-45.12
O=C(C1COC2=CC=C(F)C=C2C1)N1CCCC1C1=NN=N[N-]1	REAL300019670527	1	38	-1.0	-49.40	311.49	4.30	-45.10
CCC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300019670528	0	38	-1.0	-51.28	318.33	4.90	-46.38
CCC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300019670528	1	38	-1.0	-51.28	318.39	4.93	-46.35
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019670529	0	47	-1.0	-49.42	370.40	4.52	-44.90
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019670529	1	47	-1.0	-49.41	370.46	4.53	-44.88
CCC(C)(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670530	0	45	-1.0	-52.27	341.63	6.37	-45.90
CCC(C)(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670530	1	45	-1.0	-52.29	341.69	6.39	-45.90
O=C(C1=CC=C(Cl)C(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670531	0	30	-1.0	-47.23	287.44	4.67	-42.56
O=C(C1=CC=C(Cl)C(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670531	1	30	-1.0	-47.19	287.50	4.69	-42.50
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670532	0	32	-1.0	-59.95	294.97	3.12	-56.83
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670532	1	32	-1.0	-60.00	294.92	3.10	-56.90
O=C(C1=CSC(C2CCCO2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670533	0	37	-1.0	-53.28	317.75	2.41	-50.87
O=C(C1=CSC(C2CCCO2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670533	1	37	-1.0	-53.27	317.80	2.43	-50.84
CS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL300019670534	0	33	-1.0	-61.18	303.57	0.06	-61.12
CS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL300019670534	1	33	-1.0	-61.19	303.63	0.08	-61.11
CC1=C(Br)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019670535	0	35	-1.0	-47.12	312.59	5.22	-41.90
CC1=C(Br)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019670535	1	35	-1.0	-47.10	312.64	5.24	-41.86
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670536	0	42	-1.0	-51.51	375.58	8.01	-43.50
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670536	1	42	-1.0	-51.55	375.64	8.03	-43.52
O=C(C1=NC2=CC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019670537	0	32	-1.0	-53.64	287.10	3.96	-49.68
O=C(C1=NC2=CC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019670537	1	32	-1.0	-53.65	287.04	3.93	-49.72
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670538	0	40	-1.0	-52.29	334.67	4.94	-47.35
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670538	1	40	-1.0	-52.28	334.73	4.97	-47.31
CC(=O)C1=C(C)NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C(C)C	REAL300019670539	0	45	-1.0	-53.31	352.85	4.94	-48.37
CC(=O)C1=C(C)NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C(C)C	REAL300019670539	1	45	-1.0	-53.30	352.91	4.96	-48.34
CC1=CN(CC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=NO2)N=C1	REAL300019670540	0	39	-1.0	-56.34	336.58	3.97	-52.37
CC1=CN(CC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=NO2)N=C1	REAL300019670540	1	39	-1.0	-56.36	336.64	4.00	-52.36
CNS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL300019670541	0	35	-1.0	-55.99	312.23	-2.14	-58.13
CNS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL300019670541	1	35	-1.0	-56.01	312.29	-2.12	-58.13
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670542	0	39	-1.0	-64.90	328.10	5.45	-59.45
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670542	1	39	-1.0	-64.90	328.16	5.46	-59.44
O=C(C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670543	0	41	-1.0	-51.47	354.52	5.40	-46.07
O=C(C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670543	1	41	-1.0	-51.45	354.58	5.41	-46.04
O=C(C1=NN(CCO)C(=O)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019670544	0	38	-1.0	-49.28	316.23	-1.09	-50.37
O=C(C1=NN(CCO)C(=O)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019670544	1	38	-1.0	-49.29	316.29	-1.06	-50.35
COC(=O)C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670545	0	42	-1.0	-54.47	335.26	4.72	-49.75
COC(=O)C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670545	1	42	-1.0	-54.48	335.32	4.74	-49.74
COC(=O)C1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670546	0	35	-1.0	-42.86	295.17	1.83	-41.03
COC(=O)C1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670546	1	35	-1.0	-42.84	295.11	1.82	-41.02
CN(C)S(=O)(=O)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670547	0	37	-1.0	-54.02	317.86	-0.27	-54.29
CN(C)S(=O)(=O)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670547	1	37	-1.0	-53.99	317.92	-0.24	-54.23
O=C(CCC(=O)N1CCC(O)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019670548	0	44	-1.0	-52.39	349.11	0.66	-51.73
O=C(CCC(=O)N1CCC(O)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019670548	1	44	-1.0	-52.37	349.16	0.68	-51.69
O=C(CCC(=O)N1CCCC1C1=N[N-]N=N1)NC1=CC=C2NC(=O)NC2=N1	REAL300019670549	0	43	-1.0	-59.53	366.19	1.24	-58.29
O=C(CCC(=O)N1CCCC1C1=NN=N[N-]1)NC1=CC=C2NC(=O)NC2=N1	REAL300019670549	1	43	-1.0	-59.56	366.25	1.27	-58.29
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670550	0	42	-1.0	-47.75	341.84	6.92	-40.83
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670550	1	42	-1.0	-47.76	341.78	6.91	-40.85
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=CC=C12	REAL300019670551	0	40	-1.0	-55.01	339.10	-0.03	-55.04
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=CC=C12	REAL300019670551	1	40	-1.0	-55.04	339.05	-0.05	-55.09
O=C(C1=CC(I)=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL300019670552	0	31	-1.0	-38.85	280.24	2.76	-36.09
O=C(C1=CC(I)=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL300019670552	1	31	-1.0	-38.88	280.29	2.76	-36.12
O=C(C1=CC(I)=CC=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670552	1	30	-2.0	-109.21	276.66	3.77	-105.44
O=C(C1=CC(I)=CC=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670552	1	30	-2.0	-109.22	276.71	3.76	-105.46
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670553	0	32	-2.0	-103.33	275.05	3.41	-99.92
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670553	1	32	-2.0	-103.34	275.09	3.40	-99.94
O=C(C1=CC=C(Br)C=C1O)N1CCCC1C1=N[N-]N=N1	REAL300019670554	0	31	-1.0	-38.27	275.25	2.24	-36.03
O=C(C1=CC=C(Br)C=C1O)N1CCCC1C1=NN=N[N-]1	REAL300019670554	1	31	-1.0	-38.33	275.31	2.25	-36.08
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670554	1	30	-2.0	-109.02	271.68	3.25	-105.77
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670554	1	30	-2.0	-109.08	271.75	3.26	-105.82
O=C(C1=CC2=C(C=C1O)OCO2)N1CCCC1C1=N[N-]N=N1	REAL300019670555	0	34	-1.0	-53.26	288.62	0.53	-52.73
O=C(C1=CC2=C(C=C1O)OCO2)N1CCCC1C1=NN=N[N-]1	REAL300019670555	1	34	-1.0	-53.26	288.67	0.55	-52.71
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670556	0	36	-2.0	-114.99	308.46	5.38	-109.61
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670556	1	36	-2.0	-114.94	308.50	5.37	-109.57
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670556	1	37	-1.0	-51.11	321.91	4.62	-46.49
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670556	1	37	-1.0	-51.09	321.97	4.64	-46.45
CC(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(O)=C1	REAL300019670557	0	40	-1.0	-41.72	314.10	3.53	-38.19
CC(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(O)=C1	REAL300019670557	1	40	-1.0	-41.72	314.16	3.54	-38.18
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=N1	REAL300019670558	0	32	-1.0	-39.80	278.04	2.45	-37.35
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=N1	REAL300019670558	1	32	-1.0	-39.87	278.10	2.47	-37.40
CCCCS(=O)(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670559	0	40	-1.0	-61.97	340.22	-0.38	-62.35
CCCCS(=O)(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670559	1	40	-1.0	-61.88	340.27	-0.36	-62.24
O=C(C1=CC=C(N2C=CN=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670560	0	36	-1.0	-57.33	304.73	3.43	-53.90
O=C(C1=CC=C(N2C=CN=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670560	1	36	-1.0	-57.32	304.67	3.42	-53.90
COC(=O)C1=CC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670561	0	42	-1.0	-56.57	346.87	5.88	-50.69
COC(=O)C1=CC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670561	1	42	-1.0	-56.60	346.92	5.90	-50.70
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300019670562	0	33	-1.0	-40.45	282.82	4.37	-36.08
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300019670562	1	33	-1.0	-40.48	282.88	4.37	-36.11
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=NO1	REAL300019670563	0	44	-1.0	-57.07	369.99	2.10	-54.97
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=NO1	REAL300019670563	1	44	-1.0	-57.02	370.05	2.12	-54.90
CC(C)C1=CC=C(O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670564	0	40	-1.0	-41.62	311.67	3.57	-38.05
CC(C)C1=CC=C(O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670564	1	40	-1.0	-41.61	311.71	3.58	-38.03
O=C(C1=CC(CCC2=CC=CC=C2)=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL300019670565	0	47	-1.0	-42.70	375.03	6.95	-35.75
O=C(C1=CC(CCC2=CC=CC=C2)=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL300019670565	1	47	-1.0	-42.67	375.08	6.94	-35.73
O=C(C1=CC(CC2=CC=CC=C2)=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL300019670566	0	44	-1.0	-58.73	365.35	6.34	-52.39
O=C(C1=CC(CC2=CC=CC=C2)=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL300019670566	1	44	-1.0	-58.75	365.42	6.36	-52.39
COC1=CC(C)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1O	REAL300019670567	0	38	-1.0	-43.15	301.31	2.13	-41.02
COC1=CC(C)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1O	REAL300019670567	1	38	-1.0	-43.11	301.34	2.13	-40.98
O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670568	0	37	-1.0	-54.64	329.81	5.88	-48.76
O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670568	1	37	-1.0	-54.57	329.75	5.86	-48.71
O=C(C1=CC=CC(C2OCCO2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670569	0	39	-1.0	-56.57	317.99	3.19	-53.38
O=C(C1=CC=CC(C2OCCO2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670569	1	39	-1.0	-56.59	318.05	3.21	-53.38
CCOC(=O)C1=C2N=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2N=C1	REAL300019670570	0	41	-1.0	-55.71	359.73	4.25	-51.46
CCOC(=O)C1=C2N=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2N=C1	REAL300019670570	1	41	-1.0	-55.70	359.67	4.24	-51.46
NC(=O)C1=C2N=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2N=C1	REAL300019670571	0	36	-1.0	-59.27	318.25	-0.62	-59.89
NC(=O)C1=C2N=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2N=C1	REAL300019670571	1	36	-1.0	-59.25	318.20	-0.63	-59.88
NS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL300019670572	0	32	-1.0	-56.67	289.81	-3.35	-60.02
NS(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL300019670572	1	32	-1.0	-56.71	289.86	-3.33	-60.04
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670573	0	36	-1.0	-61.90	308.01	6.13	-55.77
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670573	1	36	-1.0	-61.92	307.95	6.11	-55.81
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670574	0	48	-1.0	-54.71	380.84	8.47	-46.24
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670574	1	48	-1.0	-54.77	380.90	8.50	-46.27
COC(=O)C1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670575	0	39	-1.0	-54.76	326.69	5.03	-49.73
COC(=O)C1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670575	1	39	-1.0	-54.73	326.74	5.05	-49.68
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670576	0	41	-1.0	-61.18	334.79	2.30	-58.88
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670576	1	41	-1.0	-61.19	334.85	2.32	-58.87
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670577	0	35	-1.0	-47.07	312.21	-0.57	-47.64
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670577	1	35	-1.0	-47.05	312.25	-0.56	-47.61
CC1=CC=C(CC2=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=CS2)C=C1	REAL300019670578	0	42	-1.0	-53.69	363.41	6.59	-47.10
CC1=CC=C(CC2=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=CS2)C=C1	REAL300019670578	1	42	-1.0	-53.69	363.46	6.61	-47.08
CC1=CC=CC=C1C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670579	0	36	-1.0	-49.43	298.83	5.00	-44.43
CC1=CC=CC=C1C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670579	1	36	-1.0	-49.40	298.89	5.03	-44.37
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300019670580	0	36	-1.0	-50.10	312.52	5.64	-44.46
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300019670580	1	36	-1.0	-50.08	312.57	5.65	-44.43
CC(C)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300019670581	0	46	-1.0	-56.64	369.15	6.85	-49.79
CC(C)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300019670581	1	46	-1.0	-56.69	369.20	6.88	-49.81
CSCC1=NOC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019670582	0	38	-1.0	-51.39	336.93	2.12	-49.27
CSCC1=NOC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019670582	1	38	-1.0	-51.42	336.98	2.15	-49.27
O=C(C1=CC2=CC=C(Br)C=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670583	0	36	-1.0	-39.67	311.47	5.87	-33.80
O=C(C1=CC2=CC=C(Br)C=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670583	1	36	-1.0	-39.66	311.55	5.86	-33.80
O=C(CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1)NC1CCCC1	REAL300019670584	0	47	-1.0	-69.81	378.88	2.95	-66.86
O=C(CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1)NC1CCCC1	REAL300019670584	1	47	-1.0	-69.80	378.83	2.93	-66.87
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300019670585	0	41	-1.0	-48.89	346.36	4.73	-44.16
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300019670585	1	41	-1.0	-48.90	346.31	4.70	-44.20
CNC(=O)COC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670586	0	44	-1.0	-62.22	369.27	3.52	-58.70
CNC(=O)COC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670586	1	44	-1.0	-62.17	369.33	3.54	-58.63
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670587	0	36	-1.0	-53.57	302.39	1.53	-52.04
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670587	1	36	-1.0	-53.58	302.43	1.54	-52.04
CC1(CCCC(=O)N2CCCC2C2=N[N-]N=N2)NC(=O)NC1=O	REAL300019670588	0	41	-1.0	-54.87	337.06	-0.76	-55.63
CC1(CCCC(=O)N2CCCC2C2=NN=N[N-]2)NC(=O)NC1=O	REAL300019670588	1	41	-1.0	-54.90	337.12	-0.74	-55.64
CC(C)OC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019670589	0	39	-1.0	-52.04	318.80	3.20	-48.84
CC(C)OC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019670589	1	39	-1.0	-52.01	318.74	3.18	-48.83
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C1=CC=CC=N1	REAL300019670590	0	43	-1.0	-57.02	349.44	5.24	-51.78
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C1=CC=CC=N1	REAL300019670590	1	43	-1.0	-57.00	349.39	5.22	-51.78
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1C1=CC=CC=N1	REAL300019670591	0	42	-1.0	-60.00	335.23	6.61	-53.39
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1C1=CC=CC=N1	REAL300019670591	1	42	-1.0	-60.02	335.30	6.63	-53.39
O=C(C1=CC2=CC=CC=C2C(Cl)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670592	0	35	-1.0	-53.12	309.31	5.37	-47.75
O=C(C1=CC2=CC=CC=C2C(Cl)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670592	1	35	-1.0	-53.17	309.25	5.34	-47.83
CCCOC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OCCC	REAL300019670593	0	53	-1.0	-56.70	424.70	7.31	-49.39
CCCOC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OCCC	REAL300019670593	1	53	-1.0	-56.70	424.76	7.33	-49.37
CC(C)(C)OC(=O)N1CCSCC1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670594	0	51	-1.0	-50.26	395.95	5.27	-44.99
CC(C)(C)OC(=O)N1CCSCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670594	1	51	-1.0	-50.26	396.01	5.29	-44.97
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1NC(=O)OC(C)(C)C	REAL300019670595	0	50	-1.0	-45.25	383.63	4.36	-40.89
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300019670595	1	50	-1.0	-45.22	383.68	4.36	-40.86
O=C(CC1=CC(Br)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670596	0	33	-1.0	-51.16	306.00	5.32	-45.84
O=C(CC1=CC(Br)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670596	1	33	-1.0	-51.13	306.06	5.34	-45.79
O=C(CC1=CC(Cl)=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670597	0	33	-1.0	-49.85	314.19	5.69	-44.16
O=C(CC1=CC(Cl)=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670597	1	33	-1.0	-49.86	314.25	5.71	-44.15
O=C(CC1=CC=CC=C1I)N1CCCC1C1=N[N-]N=N1	REAL300019670598	0	33	-1.0	-51.68	302.48	5.57	-46.11
O=C(CC1=CC=CC=C1I)N1CCCC1C1=NN=N[N-]1	REAL300019670598	1	33	-1.0	-51.69	302.54	5.60	-46.09
O=C(CC1=CC(F)=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670599	0	33	-1.0	-50.47	303.86	5.24	-45.23
O=C(CC1=CC(F)=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670599	1	33	-1.0	-50.46	303.92	5.27	-45.19
CC(C)C1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300019670600	0	38	-1.0	-54.64	326.15	3.24	-51.40
CC(C)C1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300019670600	1	38	-1.0	-54.68	326.21	3.26	-51.42
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1	REAL300019670600	1	38	-1.0	-61.29	328.31	3.36	-57.93
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1	REAL300019670600	1	38	-1.0	-61.33	328.37	3.39	-57.94
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300019670601	0	49	-1.0	-61.03	399.77	4.51	-56.52
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300019670601	1	49	-1.0	-61.03	399.83	4.54	-56.49
O=C(CSC1=CC=CC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670602	0	34	-1.0	-53.74	319.06	5.77	-47.97
O=C(CSC1=CC=CC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670602	1	34	-1.0	-53.76	319.11	5.79	-47.97
CC(C)(C)OC(=O)NC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019670603	0	53	-1.0	-60.08	423.82	6.08	-54.00
CC(C)(C)OC(=O)NC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019670603	1	53	-1.0	-60.05	423.87	6.11	-53.94
O=C(C1CCCC2=C1C=CS2)N1CCCC1C1=N[N-]N=N1	REAL300019670604	0	37	-1.0	-55.91	308.36	5.25	-50.66
O=C(C1CCCC2=C1C=CS2)N1CCCC1C1=NN=N[N-]1	REAL300019670604	1	37	-1.0	-55.95	308.42	5.27	-50.68
CN(C)C(=O)NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019670605	0	42	-1.0	-45.23	344.84	3.43	-41.80
CN(C)C(=O)NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019670605	1	42	-1.0	-45.26	344.89	3.45	-41.81
COCCOC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670606	0	44	-1.0	-55.39	364.24	4.16	-51.23
COCCOC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670606	1	44	-1.0	-55.39	364.29	4.19	-51.20
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670607	0	50	-1.0	-52.00	398.21	6.10	-45.90
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670607	1	50	-1.0	-52.02	398.28	6.10	-45.92
CC1=CC=C(C(O)(CC(=O)N2CCCC2C2=N[N-]N=N2)C(F)(F)F)O1	REAL300019670608	0	40	-1.0	-47.28	344.85	3.22	-44.06
CC1=CC=C(C(O)(CC(=O)N2CCCC2C2=NN=N[N-]2)C(F)(F)F)O1	REAL300019670608	1	40	-1.0	-47.32	344.91	3.25	-44.07
CCCCN1N=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300019670609	0	42	-1.0	-52.42	337.59	4.27	-48.15
CCCCN1N=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300019670609	1	42	-1.0	-52.40	337.64	4.29	-48.11
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670610	0	33	-1.0	-34.76	295.93	4.45	-30.31
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670610	1	33	-1.0	-34.76	296.01	4.45	-30.31
CC1=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300019670611	0	38	-1.0	-58.90	318.71	5.66	-53.24
CC1=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300019670611	1	38	-1.0	-58.91	318.77	5.68	-53.23
CC1=NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019670612	0	38	-1.0	-55.59	313.52	4.53	-51.06
CC1=NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019670612	1	38	-1.0	-55.58	313.58	4.56	-51.02
CC(C)COC1=CC=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670613	0	47	-1.0	-59.87	381.10	6.31	-53.56
CC(C)COC1=CC=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670613	1	47	-1.0	-59.85	381.16	6.33	-53.52
O=C(CCCNC(=O)C1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670614	0	42	-1.0	-55.77	352.26	2.18	-53.59
O=C(CCCNC(=O)C1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670614	1	42	-1.0	-55.73	352.20	2.15	-53.58
O=C(C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670615	0	35	-1.0	-46.75	317.99	5.22	-41.53
O=C(C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670615	1	35	-1.0	-46.74	318.04	5.24	-41.50
O=C(C1=CC(Cl)=CC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670616	0	30	-1.0	-48.62	288.79	4.66	-43.96
O=C(C1=CC(Cl)=CC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670616	1	30	-1.0	-48.66	288.84	4.67	-43.99
O=C(C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670617	0	42	-1.0	-41.92	353.28	6.57	-35.35
O=C(C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670617	1	42	-1.0	-41.96	353.22	6.57	-35.39
CC1=C(CCCC(=O)N2CCCC2C2=N[N-]N=N2)SC=C1	REAL300019670618	0	39	-1.0	-53.38	330.99	5.89	-47.49
CC1=C(CCCC(=O)N2CCCC2C2=NN=N[N-]2)SC=C1	REAL300019670618	1	39	-1.0	-53.38	331.05	5.92	-47.46
C=CC(=O)N1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670619	0	41	-1.0	-60.06	322.59	3.23	-56.83
C=CC(=O)N1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670619	1	41	-1.0	-60.05	322.64	3.25	-56.80
CC1(C)CCC2=C(C=C(C(=O)N3CCCC3C3=N[N-]N=N3)C(=O)N2)C1	REAL300019670620	0	46	-1.0	-62.44	362.43	4.12	-58.32
CC1(C)CCC2=C(C=C(C(=O)N3CCCC3C3=NN=N[N-]3)C(=O)N2)C1	REAL300019670620	1	46	-1.0	-62.44	362.49	4.13	-58.31
O=C(CC1=CC=CC(OC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670621	0	37	-1.0	-51.10	325.25	4.46	-46.64
O=C(CC1=CC=CC(OC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670621	1	37	-1.0	-51.06	325.31	4.49	-46.57
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019670622	0	44	-1.0	-49.86	352.93	3.82	-46.04
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019670622	1	44	-1.0	-49.89	352.99	3.84	-46.05
CC(CSCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670623	0	43	-1.0	-50.52	363.95	7.33	-43.19
CC(CSCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670623	1	43	-1.0	-50.49	364.01	7.34	-43.15
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670624	0	35	-1.0	-67.02	311.44	5.18	-61.84
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670624	1	35	-1.0	-67.04	311.49	5.20	-61.84
CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670625	0	44	-1.0	-41.60	362.58	7.76	-33.84
CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670625	1	44	-1.0	-41.58	362.64	7.78	-33.80
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=NC2=CC=CC=C21	REAL300019670626	0	39	-1.0	-57.97	319.04	5.45	-52.52
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=NC2=CC=CC=C21	REAL300019670626	1	39	-1.0	-57.99	319.10	5.47	-52.52
CC1=NC(Cl)=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670627	0	35	-1.0	-52.78	307.92	3.76	-49.02
CC1=NC(Cl)=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670627	1	35	-1.0	-52.84	307.98	3.77	-49.07
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1C	REAL300019670628	0	46	-1.0	-54.00	367.42	6.79	-47.21
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300019670628	1	46	-1.0	-53.99	367.48	6.81	-47.18
CC1=C(C2CC2C(=O)N2CCCC2C2=N[N-]N=N2)SC=C1	REAL300019670629	0	37	-1.0	-52.13	310.49	5.74	-46.39
CC1=C(C2CC2C(=O)N2CCCC2C2=NN=N[N-]2)SC=C1	REAL300019670629	1	37	-1.0	-52.12	310.55	5.76	-46.36
O=C(CSCC1=CSC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670630	0	33	-1.0	-57.93	308.38	3.02	-54.91
O=C(CSCC1=CSC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670630	1	33	-1.0	-57.94	308.44	3.05	-54.89
O=C(CC1=CC=C(C(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670631	0	36	-1.0	-54.43	311.42	5.54	-48.89
O=C(CC1=CC=C(C(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670631	1	36	-1.0	-54.39	311.48	5.56	-48.83
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670632	0	46	-1.0	-56.66	383.27	6.25	-50.41
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670632	1	46	-1.0	-56.67	383.33	6.28	-50.39
O=C(C1=NN(C2=CC=C(Cl)C=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670633	0	36	-1.0	-48.74	327.37	4.34	-44.40
O=C(C1=NN(C2=CC=C(Cl)C=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670633	1	36	-1.0	-48.74	327.32	4.31	-44.43
COC1=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019670634	0	46	-1.0	-57.69	369.29	5.27	-52.42
COC1=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019670634	1	46	-1.0	-57.67	369.35	5.29	-52.38
O=C(CC1=CSC2=NC=CN12)N1CCCC1C1=NN=N[N-]1	REAL300019670635	0	33	-1.0	-55.21	296.23	4.29	-50.92
O=C(CC1=CSC2=NC=CN12)N1CCCC1C1=N[N-]N=N1	REAL300019670635	1	33	-1.0	-55.23	296.17	4.27	-50.96
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670636	0	48	-1.0	-54.00	372.22	3.48	-50.52
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670636	1	48	-1.0	-53.97	372.28	3.49	-50.48
CN1C(=O)NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300019670637	0	37	-1.0	-52.80	309.31	2.46	-50.34
CN1C(=O)NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300019670637	1	37	-1.0	-52.81	309.37	2.48	-50.33
CC1=NN=C2CCC(C(=O)N3CCCC3C3=N[N-]N=N3)CN12	REAL300019670638	0	39	-1.0	-52.15	315.07	4.51	-47.64
CC1=NN=C2CCC(C(=O)N3CCCC3C3=NN=N[N-]3)CN12	REAL300019670638	1	39	-1.0	-52.21	315.12	4.52	-47.69
CC(C)CC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670639	0	46	-1.0	-53.25	369.38	7.83	-45.42
CC(C)CC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670639	1	46	-1.0	-53.25	369.44	7.86	-45.39
CCSC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670640	0	40	-1.0	-54.02	341.01	6.52	-47.50
CCSC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670640	1	40	-1.0	-54.03	341.06	6.55	-47.48
O=C(CC1=CC=C(Br)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670641	0	33	-1.0	-53.52	306.25	5.33	-48.19
O=C(CC1=CC=C(Br)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670641	1	33	-1.0	-53.53	306.31	5.36	-48.17
O=C(C1=CC=CC(F)=C1I)N1CCCC1C1=N[N-]N=N1	REAL300019670642	0	30	-1.0	-50.60	282.60	4.72	-45.88
O=C(C1=CC=CC(F)=C1I)N1CCCC1C1=NN=N[N-]1	REAL300019670642	1	30	-1.0	-50.60	282.66	4.74	-45.86
CC(C)(C)OC(=O)N1CCOC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670643	0	51	-1.0	-58.33	396.32	4.19	-54.14
CC(C)(C)OC(=O)N1CCOC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670643	1	51	-1.0	-58.32	396.38	4.22	-54.10
O=C(C1=CC=C(C2=CC=CO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670644	0	34	-1.0	-53.24	304.82	4.50	-48.74
O=C(C1=CC=C(C2=CC=CO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670644	1	34	-1.0	-53.25	304.88	4.52	-48.73
O=C(CCCOC1=CC=C2OCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670645	0	43	-1.0	-58.74	356.68	3.71	-55.03
O=C(CCCOC1=CC=C2OCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670645	1	43	-1.0	-58.79	356.73	3.74	-55.05
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670646	0	55	-1.0	-55.45	426.88	8.14	-47.31
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670646	1	55	-1.0	-55.48	426.93	8.17	-47.31
O=C(CCCOC1=CC=C2CCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670647	0	47	-1.0	-56.83	376.17	6.97	-49.86
O=C(CCCOC1=CC=C2CCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670647	1	47	-1.0	-56.84	376.23	7.00	-49.84
CC(C)(C)C1CCC(=CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670648	0	49	-1.0	-51.53	357.84	6.76	-44.77
CC(C)(C)C1CCC(=CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670648	1	49	-1.0	-51.50	357.90	6.79	-44.71
COC1=CC=CC(C2=NNC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)=C1	REAL300019670649	0	41	-1.0	-52.39	340.76	3.34	-49.05
COC1=CC=CC(C2=NNC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)=C1	REAL300019670649	1	41	-1.0	-52.39	340.82	3.36	-49.03
CC(C)CC1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670650	0	48	-1.0	-51.45	381.86	8.15	-43.30
CC(C)CC1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670650	1	48	-1.0	-51.42	381.92	8.18	-43.24
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019670651	0	41	-1.0	-49.66	358.51	6.76	-42.90
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019670651	1	41	-1.0	-49.66	358.45	6.73	-42.93
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300019670652	0	39	-1.0	-55.38	325.50	5.99	-49.39
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300019670652	1	39	-1.0	-55.34	325.56	6.01	-49.33
O=C(CSCC1=CSC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670653	0	33	-1.0	-57.93	308.38	3.02	-54.91
O=C(CSCC1=CSC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670653	1	33	-1.0	-57.94	308.44	3.05	-54.89
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C2=CC(Cl)=CC=C2N1	REAL300019670654	0	37	-1.0	-54.07	329.05	5.00	-49.07
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C2=CC(Cl)=CC=C2N1	REAL300019670654	1	37	-1.0	-54.04	329.10	5.02	-49.02
CS(=O)(=O)NC1=CC=C(O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670655	0	39	-1.0	-49.12	330.87	-1.71	-50.83
CS(=O)(=O)NC1=CC=C(O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670655	1	39	-1.0	-49.12	330.93	-1.71	-50.83
O=C(C1=CC2=C(C=C1O)CCCC2)N1CCCC1C1=N[N-]N=N1	REAL300019670656	0	41	-1.0	-55.81	325.29	4.36	-51.45
O=C(C1=CC2=C(C=C1O)CCCC2)N1CCCC1C1=NN=N[N-]1	REAL300019670656	1	41	-1.0	-55.81	325.35	4.37	-51.44
O=C(C=CC(=O)N1CCCC1C1=N[N-]N=N1)NC1=CC2=CNN=C2C=C1	REAL300019670657	0	41	-1.0	-57.01	351.70	2.26	-54.75
O=C(C=CC(=O)N1CCCC1C1=NN=N[N-]1)NC1=CC2=CNN=C2C=C1	REAL300019670657	1	41	-1.0	-57.00	351.76	2.28	-54.72
O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670658	0	32	-1.0	-45.83	302.32	3.24	-42.59
O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670658	1	32	-1.0	-45.80	302.26	3.23	-42.57
O=C(C1=CC=C(CCC(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670659	0	39	-1.0	-53.30	333.81	6.19	-47.11
O=C(C1=CC=C(CCC(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670659	1	39	-1.0	-53.32	333.87	6.21	-47.11
CC(C)(C)OC(=O)N(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CC1	REAL300019670660	0	47	-1.0	-62.61	367.58	5.06	-57.55
CC(C)(C)OC(=O)N(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL300019670660	1	47	-1.0	-62.66	367.64	5.08	-57.58
CCC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300019670661	0	46	-1.0	-51.34	363.29	5.86	-45.48
CCC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300019670661	1	46	-1.0	-51.30	363.34	5.88	-45.42
O=C(C1=CC=CC2=C1OC(=O)N2)N1CCCC1C1=NN=N[N-]1	REAL300019670662	0	33	-1.0	-66.15	283.74	1.09	-65.06
O=C(C1=CC=CC2=C1OC(=O)N2)N1CCCC1C1=N[N-]N=N1	REAL300019670662	1	33	-1.0	-66.17	283.68	1.08	-65.09
O=C(C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300019670663	0	36	-1.0	-48.62	346.38	5.76	-42.86
O=C(C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300019670663	1	36	-1.0	-48.61	346.33	5.74	-42.87
CC(C)(C)C1CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670664	0	51	-1.0	-53.35	360.84	6.71	-46.64
CC(C)(C)C1CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670664	1	51	-1.0	-53.38	360.90	6.73	-46.65
CC1=CC=C(F)C(OCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670665	0	37	-1.0	-61.52	315.79	5.31	-56.21
CC1=CC=C(F)C(OCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670665	1	37	-1.0	-61.53	315.85	5.34	-56.19
CC1=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1Cl	REAL300019670666	0	40	-1.0	-55.25	342.32	6.26	-48.99
CC1=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1Cl	REAL300019670666	1	40	-1.0	-55.25	342.38	6.28	-48.97
O=C(COC1=CC=C2CCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670667	0	44	-1.0	-57.32	350.88	7.08	-50.24
O=C(COC1=CC=C2CCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670667	1	44	-1.0	-57.33	350.94	7.10	-50.23
O=C(CCCOC1=CC=C2CCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670668	0	50	-1.0	-56.44	393.37	7.56	-48.88
O=C(CCCOC1=CC=C2CCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670668	1	50	-1.0	-56.43	393.42	7.58	-48.85
CN(C)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300019670669	0	38	-1.0	-45.31	301.84	3.57	-41.74
CN(C)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300019670669	1	38	-1.0	-45.34	301.90	3.57	-41.77
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300019670670	0	41	-1.0	-55.26	343.13	-0.25	-55.51
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300019670670	1	41	-1.0	-55.21	343.19	-0.23	-55.44
NC(=O)C1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019670671	0	33	-1.0	-56.61	295.76	0.04	-56.57
NC(=O)C1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019670671	1	33	-1.0	-56.57	295.71	0.01	-56.56
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC2=CC=C(C)C=C21	REAL300019670672	0	40	-1.0	-52.93	322.44	5.43	-47.50
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC2=CC=C(C)C=C21	REAL300019670672	1	40	-1.0	-52.90	322.38	5.42	-47.48
COC1=CC=C(C2=NNC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300019670673	0	41	-1.0	-51.35	340.68	3.34	-48.01
COC1=CC=C(C2=NNC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300019670673	1	41	-1.0	-51.39	340.74	3.36	-48.03
O=C(CC1=CNC2=CC(Br)=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670674	0	37	-1.0	-57.02	332.43	5.33	-51.69
O=C(CC1=CNC2=CC(Br)=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670674	1	37	-1.0	-57.04	332.49	5.35	-51.69
O=C(C1=NOC(CN2C=C(Br)C=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670675	0	36	-1.0	-55.55	336.40	3.91	-51.64
O=C(C1=NOC(CN2C=C(Br)C=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670675	1	36	-1.0	-55.56	336.46	3.93	-51.63
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670676	0	36	-1.0	-54.68	332.39	6.54	-48.14
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670676	1	36	-1.0	-54.67	332.45	6.56	-48.11
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670677	0	46	-1.0	-57.14	393.26	3.97	-53.17
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670677	1	46	-1.0	-57.10	393.20	3.94	-53.16
CC(C(=O)N1CCCC1C1=N[N-]N=N1)S(=O)(=O)C1CCOCC1	REAL300019670678	0	43	-1.0	-70.57	346.95	0.22	-70.35
CC(C(=O)N1CCCC1C1=NN=N[N-]1)S(=O)(=O)C1CCOCC1	REAL300019670678	1	43	-1.0	-70.56	347.01	0.23	-70.33
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1CCC(C)C	REAL300019670679	0	45	-1.0	-52.19	355.15	4.77	-47.42
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1CCC(C)C	REAL300019670679	1	45	-1.0	-52.21	355.21	4.79	-47.42
O=C(C1=CC(F)=C(F)C=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670680	0	30	-1.0	-37.51	274.08	3.82	-33.69
O=C(C1=CC(F)=C(F)C=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670680	1	30	-1.0	-37.44	274.14	3.83	-33.61
O=C(CCC1=CC=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670681	0	36	-1.0	-49.56	312.62	5.58	-43.98
O=C(CCC1=CC=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670681	1	36	-1.0	-49.59	312.67	5.60	-43.99
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670682	0	49	-1.0	-52.40	389.21	6.98	-45.42
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670682	1	49	-1.0	-52.37	389.27	7.01	-45.36
CC(C)C1=CC=CC=C1OCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670683	0	46	-1.0	-51.94	367.75	6.32	-45.62
CC(C)C1=CC=CC=C1OCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670683	1	46	-1.0	-51.96	367.80	6.35	-45.61
CN1N=C2CCCCC2=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670684	0	40	-1.0	-53.05	323.42	3.96	-49.09
CN1N=C2CCCCC2=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670684	1	40	-1.0	-53.01	323.48	3.97	-49.04
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670685	0	35	-1.0	-53.06	313.98	3.48	-49.58
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670685	1	35	-1.0	-53.05	314.04	3.51	-49.54
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670686	0	42	-1.0	-46.27	345.00	3.38	-42.89
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670686	1	42	-1.0	-46.22	345.06	3.38	-42.84
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019670687	0	45	-1.0	-58.31	366.51	2.58	-55.73
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019670687	1	45	-1.0	-58.34	366.57	2.60	-55.74
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670688	0	44	-1.0	-63.10	353.24	3.24	-59.86
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670688	1	44	-1.0	-63.13	353.30	3.26	-59.87
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC1CCCC1	REAL300019670689	0	48	-1.0	-42.77	367.84	5.19	-37.58
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC1CCCC1	REAL300019670689	1	48	-1.0	-42.82	367.91	5.18	-37.64
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300019670690	0	39	-1.0	-58.15	348.82	5.49	-52.66
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300019670690	1	39	-1.0	-58.13	348.76	5.47	-52.66
COC1=CC2=NNN=C2C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670691	0	36	-1.0	-54.44	300.26	1.10	-53.34
COC1=CC2=NNN=C2C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670691	1	36	-1.0	-54.39	300.32	1.12	-53.27
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670692	0	36	-1.0	-60.23	338.10	6.19	-54.04
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670692	1	36	-1.0	-60.26	338.16	6.21	-54.05
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670693	0	38	-1.0	-54.18	321.23	3.12	-51.06
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670693	1	38	-1.0	-54.19	321.29	3.13	-51.06
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019670694	0	46	-1.0	-55.50	378.32	3.15	-52.35
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019670694	1	46	-1.0	-55.50	378.38	3.17	-52.33
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670695	0	47	-1.0	-52.33	373.91	7.24	-45.09
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670695	1	47	-1.0	-52.32	373.96	7.25	-45.07
O=C(C1=CN=C(OCC2CC2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670696	0	40	-1.0	-48.05	347.28	3.36	-44.69
O=C(C1=CN=C(OCC2CC2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670696	1	40	-1.0	-48.05	347.21	3.33	-44.72
O=C(C1=CSC(CC2=CC=CC(F)=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670697	0	39	-1.0	-55.36	348.41	5.98	-49.38
O=C(C1=CSC(CC2=CC=CC(F)=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670697	1	39	-1.0	-55.35	348.47	6.00	-49.35
CC1=CC=C(C(F)(F)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670698	0	36	-1.0	-47.84	308.18	5.27	-42.57
CC1=CC=C(C(F)(F)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670698	1	36	-1.0	-47.83	308.24	5.29	-42.54
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC(C#N)=C1	REAL300019670699	0	41	-1.0	-59.55	352.55	6.13	-53.42
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300019670699	1	41	-1.0	-59.59	352.61	6.16	-53.43
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1C	REAL300019670700	0	36	-1.0	-42.01	293.34	4.71	-37.30
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1C	REAL300019670700	1	36	-1.0	-41.99	293.40	4.71	-37.28
O=C(C1=CC2=NSN=C2C([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670701	0	33	-1.0	-39.45	295.84	2.09	-37.36
O=C(C1=CC2=NSN=C2C([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670701	1	33	-1.0	-39.46	295.78	2.09	-37.37
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019670702	0	40	-1.0	-53.90	340.81	6.38	-47.52
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019670702	1	40	-1.0	-53.93	340.75	6.35	-47.58
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670703	0	42	-1.0	-58.92	348.71	6.11	-52.81
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670703	1	42	-1.0	-58.90	348.77	6.13	-52.77
O=C(CC(=O)N1CCCC1C1=N[N-]N=N1)NCC(F)(F)F	REAL300019670704	0	33	-1.0	-61.16	296.15	2.03	-59.13
O=C(CC(=O)N1CCCC1C1=NN=N[N-]1)NCC(F)(F)F	REAL300019670704	1	33	-1.0	-61.20	296.21	2.06	-59.14
O=C(C1=CC=C(C2=CC=CS2)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670705	0	34	-1.0	-52.44	313.39	5.46	-46.98
O=C(C1=CC=C(C2=CC=CS2)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670705	1	34	-1.0	-52.43	313.45	5.48	-46.95
O=C(C1=CC=C(SC2CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670706	0	38	-1.0	-52.45	321.88	6.18	-46.27
O=C(C1=CC=C(SC2CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670706	1	38	-1.0	-52.42	321.94	6.19	-46.23
O=C(CCC1=CC(F)=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019670707	0	36	-1.0	-50.36	324.34	6.01	-44.35
O=C(CCC1=CC(F)=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019670707	1	36	-1.0	-50.41	324.40	6.03	-44.38
O=C(C1=CC2=NNN=C2C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670708	0	32	-1.0	-53.16	277.63	0.88	-52.28
O=C(C1=CC2=NNN=C2C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670708	1	32	-1.0	-53.17	277.69	0.90	-52.27
CC(C)COC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300019670709	0	42	-1.0	-48.03	357.19	3.26	-44.77
CC(C)COC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300019670709	1	42	-1.0	-48.04	357.13	3.24	-44.80
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019670710	0	42	-1.0	-50.75	368.44	5.02	-45.73
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019670710	1	42	-1.0	-50.75	368.38	4.99	-45.76
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670711	0	37	-2.0	-94.40	340.79	0.93	-93.47
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670711	1	37	-2.0	-94.40	340.85	0.96	-93.44
CC1=CC(N2CC(C(=O)N3CCCC3C3=N[N-]N=N3)CC2=O)=CC=C1F	REAL300019670712	0	44	-1.0	-52.83	358.64	5.51	-47.32
CC1=CC(N2CC(C(=O)N3CCCC3C3=NN=N[N-]3)CC2=O)=CC=C1F	REAL300019670712	1	44	-1.0	-52.84	358.70	5.53	-47.31
CCC(CC)N1N=C(C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670713	0	45	-1.0	-51.21	352.75	5.08	-46.13
CCC(CC)N1N=C(C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670713	1	45	-1.0	-51.18	352.81	5.10	-46.08
CC(CCCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670714	0	45	-1.0	-52.92	355.50	7.24	-45.68
CC(CCCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670714	1	45	-1.0	-52.93	355.55	7.26	-45.67
O=C(C1=CC(OC(F)F)=CC(OC(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670715	0	38	-1.0	-46.56	323.63	2.21	-44.35
O=C(C1=CC(OC(F)F)=CC(OC(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670715	1	38	-1.0	-46.64	323.69	2.22	-44.42
O=C(C1CCC2=C(Cl)C=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019670716	0	37	-1.0	-54.26	317.37	6.09	-48.17
O=C(C1CCC2=C(Cl)C=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019670716	1	37	-1.0	-54.29	317.43	6.11	-48.18
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670717	0	44	-1.0	-61.74	385.72	2.07	-59.67
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670717	1	44	-1.0	-61.70	385.78	2.10	-59.60
CN(C)C1=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N(C)C2=NC=N1	REAL300019670718	0	43	-1.0	-53.65	341.17	4.45	-49.20
CN(C)C1=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N(C)C2=NC=N1	REAL300019670718	1	43	-1.0	-53.69	341.24	4.46	-49.23
O=C(CCC1=CC=C2NC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670719	0	40	-1.0	-55.64	332.01	5.52	-50.12
O=C(CCC1=CC=C2NC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670719	1	40	-1.0	-55.64	332.06	5.54	-50.10
CCC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300019670720	0	43	-1.0	-52.85	345.41	5.05	-47.80
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300019670720	1	43	-1.0	-52.86	345.46	5.06	-47.80
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1	REAL300019670721	0	41	-1.0	-47.56	353.13	6.30	-41.26
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL300019670721	1	41	-1.0	-47.52	353.19	6.33	-41.19
O=C(CCCC1=CC2=CC=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670722	0	45	-1.0	-55.84	368.28	8.52	-47.32
O=C(CCCC1=CC2=CC=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670722	1	45	-1.0	-55.88	368.33	8.54	-47.34
CC(C)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(=O)N1	REAL300019670723	0	39	-1.0	-57.25	324.81	2.76	-54.49
CC(C)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(=O)N1	REAL300019670723	1	39	-1.0	-57.24	324.87	2.78	-54.46
CCC(C)N1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300019670724	0	42	-1.0	-56.82	337.01	4.64	-52.18
CCC(C)N1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300019670724	1	42	-1.0	-56.83	337.07	4.67	-52.16
CC1=C(C)N2C(=NC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C2=O)S1	REAL300019670725	0	38	-1.0	-60.94	330.67	4.21	-56.73
CC1=C(C)N2C(=NC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C2=O)S1	REAL300019670725	1	38	-1.0	-60.91	330.61	4.20	-56.71
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1	REAL300019670726	0	40	-1.0	-54.57	350.01	6.30	-48.27
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300019670726	1	40	-1.0	-54.56	350.07	6.33	-48.23
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019670727	0	39	-1.0	-50.61	345.96	5.18	-45.43
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019670727	1	39	-1.0	-50.62	345.90	5.15	-45.47
O=C(C1=CC=C(C2=CN=CC=N2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670728	0	37	-1.0	-55.28	315.15	2.72	-52.56
O=C(C1=CC=C(C2=CN=CC=N2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670728	1	37	-1.0	-55.28	315.20	2.75	-52.53
O=C(OCC1=CC=CC=C1)N1CCC(F)(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670729	0	48	-1.0	-50.37	397.32	5.77	-44.60
O=C(OCC1=CC=CC=C1)N1CCC(F)(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670729	1	48	-1.0	-50.38	397.38	5.80	-44.58
O=C(C1=CN=C2OCC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670730	0	35	-1.0	-52.00	296.29	-2.30	-54.30
O=C(C1=CN=C2OCC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670730	1	35	-1.0	-52.05	296.23	-2.32	-54.37
N#CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300019670731	0	31	-1.0	-47.96	287.57	4.39	-43.57
N#CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300019670731	1	31	-1.0	-47.97	287.62	4.42	-43.55
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670732	0	37	-1.0	-52.32	340.80	4.21	-48.11
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670732	1	37	-1.0	-52.30	340.85	4.24	-48.06
O=C(CC(O)C1=CC=C(Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670733	0	37	-1.0	-53.32	324.28	3.70	-49.62
O=C(CC(O)C1=CC=C(Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670733	1	37	-1.0	-53.30	324.34	3.72	-49.58
CC(C)(C)SC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300019670734	0	42	-1.0	-39.40	335.13	5.42	-33.98
CC(C)(C)SC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300019670734	1	42	-1.0	-39.40	335.06	5.40	-34.00
O=C(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019670735	0	33	-1.0	-36.62	296.36	4.57	-32.05
O=C(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019670735	1	33	-1.0	-36.60	296.42	4.58	-32.02
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670736	0	45	-1.0	-57.91	364.68	4.70	-53.21
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670736	1	45	-1.0	-57.94	364.74	4.72	-53.22
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670737	0	41	-1.0	-39.34	349.44	6.41	-32.93
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670737	1	41	-1.0	-39.37	349.51	6.40	-32.97
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670738	0	36	-1.0	-52.67	320.34	4.12	-48.55
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670738	1	36	-1.0	-52.69	320.28	4.09	-48.60
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC2=NC(C)=NC(N)=C12	REAL300019670739	0	39	-1.0	-51.56	324.36	2.45	-49.11
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC2=NC(C)=NC(N)=C12	REAL300019670739	1	39	-1.0	-51.51	324.42	2.47	-49.04
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670740	0	42	-1.0	-54.02	352.94	1.01	-53.01
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670740	1	42	-1.0	-54.05	353.00	1.03	-53.02
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670741	0	47	-1.0	-61.99	391.75	5.51	-56.48
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670741	1	47	-1.0	-61.95	391.81	5.53	-56.42
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670742	0	41	-1.0	-60.11	352.85	5.34	-54.77
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670742	1	41	-1.0	-60.10	352.91	5.37	-54.73
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300019670743	0	35	-1.0	-47.19	313.58	5.28	-41.91
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300019670743	1	35	-1.0	-47.16	313.64	5.31	-41.85
CSC1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670744	0	37	-1.0	-52.92	316.71	5.58	-47.34
CSC1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670744	1	37	-1.0	-52.91	316.77	5.61	-47.30
COCCOC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300019670745	0	40	-1.0	-51.15	333.29	0.53	-50.62
COCCOC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300019670745	1	40	-1.0	-51.11	333.23	0.50	-50.61
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300019670746	0	35	-1.0	-45.06	292.38	3.63	-41.43
CC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300019670746	1	35	-1.0	-45.12	292.44	3.63	-41.49
COC1=CC(C(=O)CCC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300019670747	0	50	-1.0	-51.76	412.64	4.45	-47.31
COC1=CC(C(=O)CCC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300019670747	1	50	-1.0	-51.80	412.69	4.48	-47.32
COCC1=NN=C(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)O1	REAL300019670748	0	42	-1.0	-57.06	357.29	-0.75	-57.81
COCC1=NN=C(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)O1	REAL300019670748	1	42	-1.0	-57.06	357.35	-0.73	-57.79
CC1=CSC2=NC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C(=O)N12	REAL300019670749	0	35	-1.0	-43.17	287.71	2.69	-40.48
CC1=CSC2=NC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C(=O)N12	REAL300019670749	1	35	-1.0	-43.15	287.58	2.65	-40.50
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670750	0	37	-1.0	-55.90	347.13	6.59	-49.31
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670750	1	37	-1.0	-55.85	347.07	6.57	-49.28
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL300019670751	0	42	-1.0	-53.36	351.57	7.17	-46.19
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL300019670751	1	42	-1.0	-53.36	351.63	7.19	-46.17
CC1=CC=C(S(=O)(=O)NC(C(=O)N2CCCC2C2=N[N-]N=N2)C(C)O)C=C1	REAL300019670752	0	48	-1.0	-60.17	393.91	-0.81	-60.98
CC1=CC=C(S(=O)(=O)NC(C(=O)N2CCCC2C2=NN=N[N-]2)C(C)O)C=C1	REAL300019670752	1	48	-1.0	-60.11	393.96	-0.80	-60.91
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019670753	0	40	-1.0	-56.85	345.06	0.02	-56.83
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019670753	1	40	-1.0	-56.83	345.12	0.05	-56.78
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670754	0	36	-1.0	-57.21	310.01	0.25	-56.96
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670754	1	36	-1.0	-57.22	310.07	0.27	-56.95
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670755	0	35	-1.0	-57.54	301.64	-0.55	-58.09
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670755	1	35	-1.0	-57.54	301.70	-0.52	-58.06
COC1=C(C)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300019670756	0	40	-1.0	-41.60	313.24	4.08	-37.52
COC1=C(C)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300019670756	1	40	-1.0	-41.61	313.30	4.08	-37.53
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCCC1C1=N[N-]N=N1	REAL300019670757	0	34	-1.0	-37.71	292.99	2.62	-35.09
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCCC1C1=NN=N[N-]1	REAL300019670757	1	34	-1.0	-37.71	293.04	2.63	-35.08
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670757	1	33	-2.0	-106.98	289.07	3.63	-103.35
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670757	1	33	-2.0	-106.98	289.14	3.64	-103.34
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)O2)=C1	REAL300019670758	0	46	-1.0	-52.12	375.52	7.70	-44.42
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)O2)=C1	REAL300019670758	1	46	-1.0	-52.10	375.57	7.73	-44.37
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670759	0	30	-1.0	-37.19	271.67	3.70	-33.49
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670759	1	30	-1.0	-37.17	271.73	3.70	-33.47
O=C(C1=C(Br)N=CS1)N1CCCC1C1=NN=N[N-]1	REAL300019670760	0	26	-1.0	-53.63	254.58	1.18	-52.45
O=C(C1=C(Br)N=CS1)N1CCCC1C1=N[N-]N=N1	REAL300019670760	1	26	-1.0	-53.61	254.53	1.17	-52.44
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1N=NN=C1C(C)(C)C	REAL300019670761	0	43	-1.0	-65.55	336.65	2.67	-62.88
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1N=NN=C1C(C)(C)C	REAL300019670761	1	43	-1.0	-65.53	336.60	2.64	-62.89
O=C(C1=CSC(NC2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670762	0	35	-1.0	-52.28	307.38	3.20	-49.08
O=C(C1=CSC(NC2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670762	1	35	-1.0	-52.26	307.32	3.17	-49.09
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019670763	0	40	-1.0	-52.60	365.19	6.76	-45.84
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019670763	1	40	-1.0	-52.59	365.25	6.79	-45.80
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL300019670764	0	40	-1.0	-54.81	339.69	5.85	-48.96
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL300019670764	1	40	-1.0	-54.80	339.75	5.88	-48.92
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL300019670765	0	43	-1.0	-56.43	354.68	6.46	-49.97
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL300019670765	1	43	-1.0	-56.43	354.75	6.48	-49.95
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300019670766	0	40	-1.0	-55.05	348.49	6.27	-48.78
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300019670766	1	40	-1.0	-55.05	348.54	6.30	-48.75
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300019670767	0	46	-1.0	-56.28	374.57	7.08	-49.20
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300019670767	1	46	-1.0	-56.28	374.62	7.11	-49.17
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670768	0	47	-1.0	-54.14	380.78	7.53	-46.61
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670768	1	47	-1.0	-54.14	380.84	7.56	-46.58
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670769	0	46	-1.0	-40.12	354.97	3.59	-36.53
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670769	1	46	-1.0	-40.08	354.90	3.57	-36.51
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670770	0	41	-1.0	-39.43	360.79	7.71	-31.72
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670770	1	41	-1.0	-39.43	360.84	7.71	-31.72
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C(C)C1CC1	REAL300019670771	0	43	-1.0	-57.31	350.28	5.55	-51.76
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C(C)C1CC1	REAL300019670771	1	43	-1.0	-57.30	350.35	5.57	-51.73
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670772	0	50	-1.0	-54.88	401.07	4.92	-49.96
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670772	1	50	-1.0	-54.89	401.12	4.94	-49.95
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670773	0	45	-1.0	-50.77	360.94	6.30	-44.47
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670773	1	45	-1.0	-50.76	360.99	6.31	-44.45
CC1=CN2C(=NC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C2=O)S1	REAL300019670774	0	35	-1.0	-45.64	298.33	2.90	-42.74
CC1=CN2C(=NC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C2=O)S1	REAL300019670774	1	35	-1.0	-45.64	298.25	2.91	-42.73
O=C(C1=CC(OCC(F)F)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670775	0	36	-1.0	-62.86	313.15	3.33	-59.53
O=C(C1=CC(OCC(F)F)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670775	1	36	-1.0	-62.85	313.09	3.30	-59.55
O=C(C1=CN=C(OC2=CC=CC=C2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670776	0	39	-1.0	-51.05	335.00	3.01	-48.04
O=C(C1=CN=C(OC2=CC=CC=C2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670776	1	39	-1.0	-51.09	334.94	2.98	-48.11
COC1=C2C(CC(=O)N3CCCC3C3=N[N-]N=N3)=CNC2=CC=C1	REAL300019670777	0	41	-1.0	-56.81	339.29	4.06	-52.75
COC1=C2C(CC(=O)N3CCCC3C3=NN=N[N-]3)=CNC2=CC=C1	REAL300019670777	1	41	-1.0	-56.78	339.34	4.09	-52.69
CCCCCCCCC(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670778	0	53	-1.0	-51.38	404.76	8.36	-43.02
CCCCCCCCC(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670778	1	53	-1.0	-51.40	404.82	8.39	-43.01
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C2CCCCC2)=N1	REAL300019670779	0	45	-1.0	-51.40	359.35	5.25	-46.15
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C2CCCCC2)=N1	REAL300019670779	1	45	-1.0	-51.46	359.41	5.28	-46.18
O=C(C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670780	0	35	-1.0	-41.57	293.33	2.87	-38.70
O=C(C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670780	1	35	-1.0	-41.51	293.39	2.85	-38.66
CC1=CC(Br)=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670781	0	36	-1.0	-51.46	317.29	5.77	-45.69
CC1=CC(Br)=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670781	1	36	-1.0	-51.49	317.35	5.79	-45.70
COC1=CC=C(N2N=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C)C=C1	REAL300019670782	0	44	-1.0	-56.88	362.72	5.08	-51.80
COC1=CC=C(N2N=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C)C=C1	REAL300019670782	1	44	-1.0	-56.88	362.78	5.11	-51.77
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCCC3C3=N[N-]N=N3)C2=C1	REAL300019670783	0	39	-1.0	-51.77	336.75	3.61	-48.16
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCCC3C3=NN=N[N-]3)C2=C1	REAL300019670783	1	39	-1.0	-51.78	336.81	3.62	-48.16
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670784	0	46	-1.0	-55.57	385.41	6.19	-49.38
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670784	1	46	-1.0	-55.51	385.35	6.16	-49.35
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)O1	REAL300019670785	0	45	-1.0	-55.75	378.79	0.02	-55.73
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)O1	REAL300019670785	1	45	-1.0	-55.72	378.84	0.05	-55.67
CCC(C)OC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300019670786	0	42	-1.0	-40.20	334.10	2.48	-37.72
CCC(C)OC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300019670786	1	42	-1.0	-40.22	334.03	2.47	-37.75
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=NO2)=C1	REAL300019670787	0	45	-1.0	-61.99	382.70	5.28	-56.71
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=NO2)=C1	REAL300019670787	1	45	-1.0	-61.98	382.76	5.30	-56.68
CC(C)(C)OC(=O)N1CCCC(COCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670788	0	57	-1.0	-67.79	440.09	6.05	-61.74
CC(C)(C)OC(=O)N1CCCC(COCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670788	1	57	-1.0	-67.76	440.15	6.08	-61.68
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670789	0	47	-1.0	-56.63	372.68	8.13	-48.50
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670789	1	47	-1.0	-56.61	372.74	8.13	-48.48
CC(C)CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(=O)N1	REAL300019670790	0	42	-1.0	-57.37	344.83	3.78	-53.59
CC(C)CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(=O)N1	REAL300019670790	1	42	-1.0	-57.39	344.89	3.79	-53.60
CC1=CC=CC(C2=NOC(SCC(=O)N3CCCC3C3=NN=N[N-]3)=N2)=C1	REAL300019670791	0	42	-1.0	-52.56	373.38	4.48	-48.08
CC1=CC=CC(C2=NOC(SCC(=O)N3CCCC3C3=N[N-]N=N3)=N2)=C1	REAL300019670791	1	42	-1.0	-52.54	373.33	4.46	-48.08
O=C(C1=CC(Br)=NC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670792	0	29	-1.0	-49.92	273.65	2.39	-47.53
O=C(C1=CC(Br)=NC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670792	1	29	-1.0	-49.94	273.59	2.37	-47.57
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670793	0	37	-1.0	-57.34	312.04	5.81	-51.53
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670793	1	37	-1.0	-57.34	312.10	5.82	-51.52
CC1=NC(COC2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)=NO1	REAL300019670794	0	42	-1.0	-63.21	353.53	2.34	-60.87
CC1=NC(COC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)=NO1	REAL300019670794	1	42	-1.0	-63.19	353.59	2.36	-60.83
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300019670795	0	34	-1.0	-49.68	296.84	3.45	-46.23
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300019670795	1	34	-1.0	-49.60	296.90	3.47	-46.13
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019670796	0	42	-1.0	-44.56	334.70	2.07	-42.49
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019670796	1	42	-1.0	-44.58	334.76	2.08	-42.50
COC1=C(Br)SC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670797	0	31	-1.0	-49.37	293.26	2.52	-46.85
COC1=C(Br)SC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670797	1	31	-1.0	-49.40	293.31	2.54	-46.86
N#CC1=CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019670798	0	37	-1.0	-39.88	311.17	5.65	-34.23
N#CC1=CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019670798	1	37	-1.0	-39.90	311.24	5.65	-34.25
O=C(C1COC2=CC=C(Br)C=C21)N1CCCC1C1=N[N-]N=N1	REAL300019670799	0	35	-1.0	-55.27	311.02	4.12	-51.15
O=C(C1COC2=CC=C(Br)C=C21)N1CCCC1C1=NN=N[N-]1	REAL300019670799	1	35	-1.0	-55.24	311.07	4.15	-51.09
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL300019670800	0	38	-1.0	-55.94	331.13	-0.32	-56.26
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL300019670800	1	38	-1.0	-55.87	331.19	-0.30	-56.17
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1=C(F)C=CC=C1F	REAL300019670801	0	33	-1.0	-53.58	294.52	4.62	-48.96
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300019670801	1	33	-1.0	-53.55	294.58	4.64	-48.91
N#CC1=CC=C(C2CC2C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670802	0	38	-1.0	-53.78	327.07	6.37	-47.41
N#CC1=CC=C(C2CC2C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670802	1	38	-1.0	-53.76	327.12	6.38	-47.38
O=C(C1=CN=CC(I)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670803	0	29	-1.0	-48.51	273.36	2.88	-45.63
O=C(C1=CN=CC(I)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670803	1	29	-1.0	-48.51	273.30	2.86	-45.65
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCCC1C1=N[N-]N=N1)C2=O	REAL300019670804	0	51	-1.0	-61.34	396.39	3.53	-57.81
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCCC1C1=NN=N[N-]1)C2=O	REAL300019670804	1	51	-1.0	-61.32	396.45	3.56	-57.76
COC1=CC=C(COCCCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670805	0	47	-1.0	-57.68	385.67	4.83	-52.85
COC1=CC=C(COCCCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670805	1	47	-1.0	-57.68	385.73	4.85	-52.83
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL300019670806	0	35	-1.0	-60.59	312.89	4.83	-55.76
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL300019670806	1	35	-1.0	-60.54	312.83	4.82	-55.72
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019670807	0	48	-1.0	-55.15	387.47	8.11	-47.04
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019670807	1	48	-1.0	-55.13	387.52	8.14	-46.99
O=C(CCC(=O)N1CCCC1C1=N[N-]N=N1)NC1CCCC1	REAL300019670808	0	43	-1.0	-50.41	344.43	3.00	-47.41
O=C(CCC(=O)N1CCCC1C1=NN=N[N-]1)NC1CCCC1	REAL300019670808	1	43	-1.0	-50.44	344.49	3.03	-47.41
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670809	0	39	-1.0	-66.42	339.26	5.39	-61.03
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670809	1	39	-1.0	-66.47	339.31	5.42	-61.05
CC(C)NC(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670810	0	43	-1.0	-55.89	349.83	3.53	-52.36
CC(C)NC(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670810	1	43	-1.0	-55.94	349.89	3.54	-52.40
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670811	0	36	-1.0	-58.19	305.84	4.42	-53.77
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670811	1	36	-1.0	-58.18	305.90	4.44	-53.74
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019670812	0	53	-1.0	-56.29	411.47	5.52	-50.77
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019670812	1	53	-1.0	-56.29	411.53	5.54	-50.75
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300019670813	0	40	-1.0	-59.34	348.62	6.47	-52.87
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300019670813	1	40	-1.0	-59.30	348.68	6.50	-52.80
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670814	0	36	-1.0	-53.53	329.46	4.49	-49.04
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670814	1	36	-1.0	-53.59	329.40	4.47	-49.12
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670815	0	37	-1.0	-55.01	309.65	5.13	-49.88
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670815	1	37	-1.0	-55.05	309.71	5.16	-49.89
COC1=CC2=C(CC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300019670816	0	43	-1.0	-60.84	351.26	6.09	-54.75
COC1=CC2=C(CC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300019670816	1	43	-1.0	-60.85	351.32	6.11	-54.74
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670817	0	41	-1.0	-54.93	325.45	4.14	-50.79
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670817	1	41	-1.0	-54.95	325.50	4.17	-50.78
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670818	0	39	-1.0	-68.57	335.39	6.41	-62.16
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670818	1	39	-1.0	-68.55	335.33	6.38	-62.17
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670819	0	46	-1.0	-58.95	375.30	6.29	-52.66
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670819	1	46	-1.0	-58.96	375.35	6.32	-52.64
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670820	0	39	-1.0	-52.36	348.49	5.70	-46.66
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670820	1	39	-1.0	-52.35	348.43	5.67	-46.68
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670821	0	53	-1.0	-64.92	407.81	5.58	-59.34
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670821	1	53	-1.0	-64.95	407.87	5.61	-59.34
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300019670822	0	39	-1.0	-49.18	330.91	4.70	-44.48
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300019670822	1	39	-1.0	-49.19	330.86	4.67	-44.52
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300019670823	0	39	-1.0	-53.17	329.87	5.86	-47.31
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300019670823	1	39	-1.0	-53.20	329.81	5.83	-47.37
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2)=C1	REAL300019670824	0	44	-1.0	-54.86	359.43	4.52	-50.34
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2)=C1	REAL300019670824	1	44	-1.0	-54.84	359.49	4.53	-50.31
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670825	0	43	-1.0	-62.25	372.82	-0.24	-62.49
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670825	1	43	-1.0	-62.27	372.88	-0.22	-62.49
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019670826	0	34	-1.0	-56.06	300.70	-3.39	-59.45
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019670826	1	34	-1.0	-56.01	300.65	-3.41	-59.42
O=C(C1=CN(C2=CC=C(Br)C=C2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670827	0	37	-1.0	-54.82	332.72	7.36	-47.46
O=C(C1=CN(C2=CC=C(Br)C=C2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670827	1	37	-1.0	-54.78	332.66	7.33	-47.45
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019670828	0	43	-1.0	-53.83	368.67	6.21	-47.62
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019670828	1	43	-1.0	-53.87	368.72	6.23	-47.64
CN(C(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019670829	0	47	-1.0	-53.12	373.74	6.58	-46.54
CN(C(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019670829	1	47	-1.0	-53.12	373.80	6.59	-46.53
O=C(CC1=CNC2=CC=CC(Br)=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670830	0	37	-1.0	-58.37	327.12	5.16	-53.21
O=C(CC1=CNC2=CC=CC(Br)=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670830	1	37	-1.0	-58.38	327.18	5.19	-53.19
COC1=CC=C(C(F)(F)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670831	0	37	-1.0	-50.02	314.85	3.91	-46.11
COC1=CC=C(C(F)(F)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670831	1	37	-1.0	-50.05	314.91	3.93	-46.12
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670832	0	39	-1.0	-54.06	340.75	4.85	-49.21
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670832	1	39	-1.0	-54.10	340.80	4.87	-49.23
O=C(NC1CC1)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670833	0	41	-1.0	-53.32	339.34	3.59	-49.73
O=C(NC1CC1)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670833	1	41	-1.0	-53.31	339.40	3.60	-49.71
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670834	0	53	-1.0	-50.30	418.42	5.09	-45.21
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670834	1	53	-1.0	-50.29	418.48	5.11	-45.18
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1O	REAL300019670835	0	39	-1.0	-52.42	319.72	0.59	-51.83
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1O	REAL300019670835	1	39	-1.0	-52.46	319.78	0.61	-51.85
O=C(C1=CN2C(=O)NN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670836	0	33	-1.0	-55.21	291.54	2.20	-53.01
O=C(C1=CN2C(=O)NN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670836	1	33	-1.0	-55.23	291.59	2.22	-53.01
O=C(C1CCN(C2=CN=CC3=NN=NN32)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019670837	0	45	-1.0	-61.09	353.42	3.31	-57.78
O=C(C1CCN(C2=CN=CC3=NN=NN32)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019670837	1	45	-1.0	-61.08	353.36	3.29	-57.79
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300019670838	0	33	-1.0	-50.78	290.16	4.73	-46.05
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300019670838	1	33	-1.0	-50.81	290.22	4.75	-46.06
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670839	0	40	-1.0	-59.56	343.65	7.29	-52.27
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670839	1	40	-1.0	-59.57	343.70	7.31	-52.26
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670840	0	45	-1.0	-57.14	382.88	3.89	-53.25
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670840	1	45	-1.0	-57.15	382.94	3.91	-53.24
CC(C)CC1=CC=C(C(C)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670841	0	48	-1.0	-55.20	371.98	7.57	-47.63
CC(C)CC1=CC=C(C(C)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670841	1	48	-1.0	-55.25	372.04	7.59	-47.66
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670842	0	30	-1.0	-38.89	272.23	3.71	-35.18
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670842	1	30	-1.0	-38.90	272.29	3.72	-35.18
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(N(C)C)=N1	REAL300019670843	0	37	-1.0	-54.55	311.00	3.07	-51.48
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(N(C)C)=N1	REAL300019670843	1	37	-1.0	-54.56	311.06	3.08	-51.48
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670844	0	41	-1.0	-49.91	343.62	4.02	-45.89
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670844	1	41	-1.0	-49.96	343.68	4.04	-45.92
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL300019670845	0	42	-1.0	-53.56	330.24	4.26	-49.30
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL300019670845	1	42	-1.0	-53.60	330.29	4.28	-49.32
N#CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300019670846	0	42	-1.0	-54.33	376.49	7.37	-46.96
N#CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300019670846	1	42	-1.0	-54.29	376.55	7.40	-46.89
O=C(C1=CN=C(C2CCCO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670847	0	37	-1.0	-54.58	316.32	1.74	-52.84
O=C(C1=CN=C(C2CCCO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670847	1	37	-1.0	-54.61	316.38	1.76	-52.85
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL300019670848	0	35	-1.0	-60.25	298.03	4.30	-55.95
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL300019670848	1	35	-1.0	-60.25	297.97	4.28	-55.97
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=C1	REAL300019670849	0	46	-1.0	-42.70	375.12	6.42	-36.28
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=C1	REAL300019670849	1	46	-1.0	-42.70	375.19	6.43	-36.27
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670850	0	36	-1.0	-53.99	312.98	2.81	-51.18
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670850	1	36	-1.0	-54.02	312.92	2.79	-51.23
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670851	0	42	-1.0	-53.22	329.74	0.56	-52.66
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670851	1	42	-1.0	-53.22	329.68	0.53	-52.69
CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1Br	REAL300019670852	0	33	-1.0	-54.04	288.64	4.73	-49.31
CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1Br	REAL300019670852	1	33	-1.0	-54.07	288.70	4.74	-49.33
O=C(C1CCC2CCCCC2C1)N1CCCC1C1=N[N-]N=N1	REAL300019670853	0	46	-1.0	-53.73	337.88	6.23	-47.50
O=C(C1CCC2CCCCC2C1)N1CCCC1C1=NN=N[N-]1	REAL300019670853	1	46	-1.0	-53.75	337.93	6.26	-47.49
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670854	0	46	-1.0	-50.20	363.74	2.25	-47.95
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670854	1	46	-1.0	-50.15	363.80	2.26	-47.89
O=C(CCCC1=CC(F)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670855	0	39	-1.0	-55.09	334.02	6.35	-48.74
O=C(CCCC1=CC(F)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670855	1	39	-1.0	-55.11	334.08	6.38	-48.73
O=C(C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670856	0	43	-1.0	-55.01	373.30	6.66	-48.35
O=C(C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670856	1	43	-1.0	-54.99	373.36	6.68	-48.31
COC1=CC=C(CC(C)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670857	0	43	-1.0	-51.98	346.57	5.13	-46.85
COC1=CC=C(CC(C)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670857	1	43	-1.0	-51.99	346.62	5.14	-46.85
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670858	0	44	-1.0	-57.28	362.72	5.58	-51.70
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670858	1	44	-1.0	-57.29	362.78	5.60	-51.69
CC(C)CC1=CC=C(CCCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670859	0	51	-1.0	-53.76	403.28	8.94	-44.82
CC(C)CC1=CC=C(CCCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670859	1	51	-1.0	-53.81	403.34	8.97	-44.84
CC1=NOC(C)=C1C(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670860	0	41	-1.0	-50.23	326.06	4.52	-45.71
CC1=NOC(C)=C1C(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670860	1	41	-1.0	-50.25	326.12	4.55	-45.70
CC(C)(CCC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019670861	0	45	-1.0	-54.75	348.25	6.81	-47.94
CC(C)(CCC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019670861	1	45	-1.0	-54.75	348.31	6.84	-47.91
COC1=CC=C(CCCC(=O)N2CCCC2C2=N[N-]N=N2)C(OC)=C1	REAL300019670862	0	47	-1.0	-57.97	380.01	4.89	-53.08
COC1=CC=C(CCCC(=O)N2CCCC2C2=NN=N[N-]2)C(OC)=C1	REAL300019670862	1	47	-1.0	-57.96	380.07	4.92	-53.04
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670863	0	39	-1.0	-63.96	332.84	1.96	-62.00
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670863	1	39	-1.0	-63.94	332.90	1.99	-61.95
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670864	0	38	-1.0	-46.19	305.48	0.15	-46.04
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670864	1	38	-1.0	-46.24	305.54	0.15	-46.09
CC1=NNC(C)=C1C(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670865	0	42	-1.0	-51.94	328.13	3.27	-48.67
CC1=NNC(C)=C1C(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670865	1	42	-1.0	-51.95	328.08	3.24	-48.71
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670866	0	40	-1.0	-51.02	322.99	4.42	-46.60
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670866	1	40	-1.0	-51.02	322.93	4.39	-46.63
O=C(C1CCCN(CC(F)(F)F)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670867	0	41	-1.0	-55.06	320.48	2.08	-52.98
O=C(C1CCCN(CC(F)(F)F)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670867	1	41	-1.0	-55.07	320.53	2.11	-52.96
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670868	0	36	-1.0	-67.46	303.12	3.47	-63.99
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670868	1	36	-1.0	-67.44	303.06	3.45	-63.99
O=C(C1=CC(Br)=CC(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670869	0	33	-1.0	-48.60	311.09	5.16	-43.44
O=C(C1=CC(Br)=CC(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670869	1	33	-1.0	-48.64	311.15	5.17	-43.47
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670870	0	42	-1.0	-54.74	341.84	3.74	-51.00
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670870	1	42	-1.0	-54.75	341.90	3.76	-50.99
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1CCCC1	REAL300019670871	0	43	-1.0	-53.08	335.16	4.74	-48.34
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1CCCC1	REAL300019670871	1	43	-1.0	-53.09	335.21	4.76	-48.33
CCC1=CSC(N2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=N2)=N1	REAL300019670872	0	39	-1.0	-55.31	340.53	4.29	-51.02
CCC1=CSC(N2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=N2)=N1	REAL300019670872	1	39	-1.0	-55.26	340.48	4.28	-50.98
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCCC1C1=NN=N[N-]1	REAL300019670873	0	36	-1.0	-71.02	310.51	5.26	-65.76
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCCC1C1=N[N-]N=N1	REAL300019670873	1	36	-1.0	-71.01	310.45	5.24	-65.77
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300019670874	0	36	-1.0	-53.66	298.52	5.03	-48.63
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300019670874	1	36	-1.0	-53.64	298.58	5.05	-48.59
N#CCOC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670875	0	38	-1.0	-56.90	329.97	4.68	-52.22
N#CCOC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670875	1	38	-1.0	-56.87	330.03	4.70	-52.17
CC1=CC=C(C2=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=CS2)N1C	REAL300019670876	0	40	-1.0	-55.36	340.67	4.92	-50.44
CC1=CC=C(C2=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=CS2)N1C	REAL300019670876	1	40	-1.0	-55.32	340.61	4.90	-50.42
CN1C(=O)CCC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300019670877	0	41	-1.0	-41.16	320.06	3.88	-37.28
CN1C(=O)CCC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300019670877	1	41	-1.0	-41.16	320.12	3.90	-37.26
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1CCOC1CCCCO1	REAL300019670878	0	51	-1.0	-53.44	400.84	4.12	-49.32
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1CCOC1CCCCO1	REAL300019670878	1	51	-1.0	-53.43	400.90	4.14	-49.29
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670879	0	35	-1.0	-51.40	298.40	4.02	-47.38
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670879	1	35	-1.0	-51.36	298.34	4.00	-47.36
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670880	0	36	-1.0	-52.91	312.68	1.57	-51.34
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670880	1	36	-1.0	-52.92	312.62	1.55	-51.37
O=C(CCC1=CC(Br)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670881	0	36	-1.0	-50.85	327.47	6.11	-44.74
O=C(CCC1=CC(Br)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670881	1	36	-1.0	-50.86	327.53	6.14	-44.72
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019670882	0	40	-1.0	-56.48	365.46	6.98	-49.50
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019670882	1	40	-1.0	-56.49	365.52	7.01	-49.48
CCC(CC)N1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300019670883	0	45	-1.0	-57.23	357.29	5.51	-51.72
CCC(CC)N1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300019670883	1	45	-1.0	-57.21	357.35	5.54	-51.67
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1CCCCC1	REAL300019670884	0	46	-1.0	-56.34	360.40	5.88	-50.46
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1CCCCC1	REAL300019670884	1	46	-1.0	-56.36	360.47	5.90	-50.46
CC(CC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670885	0	39	-1.0	-51.73	325.52	6.03	-45.70
CC(CC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670885	1	39	-1.0	-51.71	325.57	6.05	-45.66
O=C(CCCC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300019670886	0	41	-1.0	-60.40	374.26	7.06	-53.34
O=C(CCCC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300019670886	1	41	-1.0	-60.37	374.32	7.09	-53.28
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019670887	0	41	-1.0	-57.20	340.51	5.13	-52.07
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019670887	1	41	-1.0	-57.21	340.57	5.15	-52.06
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1=CC=CC=C1F	REAL300019670888	0	33	-1.0	-50.72	290.16	4.62	-46.10
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1=CC=CC=C1F	REAL300019670888	1	33	-1.0	-50.73	290.22	4.64	-46.09
COCC1=NC(C)=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670889	0	36	-1.0	-52.14	309.12	1.04	-51.10
COCC1=NC(C)=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019670889	1	36	-1.0	-52.16	309.18	1.06	-51.10
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC(C2=CC(C)=CC=C2)=N1	REAL300019670890	0	43	-1.0	-52.86	351.37	5.88	-46.98
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC(C2=CC(C)=CC=C2)=N1	REAL300019670890	1	43	-1.0	-52.90	351.42	5.90	-47.00
CC(C)(C)S(=O)(=O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670891	0	38	-1.0	-70.24	316.11	0.69	-69.55
CC(C)(C)S(=O)(=O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670891	1	38	-1.0	-70.28	316.17	0.72	-69.56
COC1=CC=CC=C1SCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670892	0	38	-1.0	-57.91	326.46	4.49	-53.42
COC1=CC=CC=C1SCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670892	1	38	-1.0	-57.92	326.52	4.52	-53.40
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670893	0	39	-1.0	-51.42	333.06	6.31	-45.11
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670893	1	39	-1.0	-51.44	333.12	6.33	-45.11
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670894	0	36	-1.0	-53.24	312.54	1.53	-51.71
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670894	1	36	-1.0	-53.24	312.48	1.51	-51.73
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=NC=C1	REAL300019670895	0	39	-1.0	-51.85	320.88	3.43	-48.42
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=NC=C1	REAL300019670895	1	39	-1.0	-51.88	320.93	3.44	-48.44
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670896	0	42	-1.0	-56.51	359.25	4.66	-51.85
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670896	1	42	-1.0	-56.53	359.30	4.68	-51.85
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCCCC1	REAL300019670897	0	59	-1.0	-57.82	428.33	5.24	-52.58
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCCCC1	REAL300019670897	1	59	-1.0	-57.83	428.38	5.27	-52.56
CC1=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300019670898	0	39	-1.0	-56.38	326.65	5.78	-50.60
CC1=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300019670898	1	39	-1.0	-56.40	326.71	5.81	-50.59
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670899	0	42	-1.0	-62.63	361.41	3.08	-59.55
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670899	1	42	-1.0	-62.66	361.47	3.10	-59.56
CCC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CCC(C)CC1	REAL300019670900	0	48	-1.0	-52.31	348.11	6.46	-45.85
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CCC(C)CC1	REAL300019670900	1	48	-1.0	-52.31	348.17	6.49	-45.82
CC(C)CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)CCC1=O	REAL300019670901	0	43	-1.0	-47.36	340.74	3.55	-43.81
CC(C)CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)CCC1=O	REAL300019670901	1	43	-1.0	-47.37	340.80	3.57	-43.80
O=C(CCC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C2NC(=O)CCC2=C1	REAL300019670902	0	46	-1.0	-53.05	380.49	4.49	-48.56
O=C(CCC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C2NC(=O)CCC2=C1	REAL300019670902	1	46	-1.0	-53.07	380.54	4.51	-48.56
CC1=CC(C)=C(Br)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670903	0	36	-1.0	-40.87	297.84	5.02	-35.85
CC1=CC(C)=C(Br)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670903	1	36	-1.0	-40.90	297.88	5.01	-35.89
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670904	0	37	-1.0	-50.92	325.23	6.16	-44.76
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670904	1	37	-1.0	-50.93	325.29	6.17	-44.76
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670905	0	34	-1.0	-50.82	307.22	5.35	-45.47
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670905	1	34	-1.0	-50.80	307.28	5.37	-45.43
COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1Cl	REAL300019670906	0	33	-1.0	-50.68	294.32	2.53	-48.15
COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1Cl	REAL300019670906	1	33	-1.0	-50.69	294.26	2.51	-48.18
O=C(C1=CC=C(I)C(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670907	0	31	-1.0	-48.54	289.03	1.89	-46.65
O=C(C1=CC=C(I)C(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670907	1	31	-1.0	-48.50	289.09	1.91	-46.59
O=C(C1=CC=C(I)C([O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670907	1	30	-2.0	-95.99	285.47	2.64	-93.35
O=C(C1=CC=C(I)C([O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670907	1	30	-2.0	-96.01	285.53	2.67	-93.34
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670908	0	44	-1.0	-55.07	361.12	7.17	-47.90
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670908	1	44	-1.0	-55.08	361.18	7.20	-47.88
COC1=CC=CC=C1C(=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670909	0	36	-1.0	-50.92	299.77	4.25	-46.67
COC1=CC=CC=C1C(=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670909	1	36	-1.0	-50.96	299.83	4.28	-46.68
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670910	0	37	-1.0	-52.99	322.82	5.41	-47.58
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670910	1	37	-1.0	-53.01	322.77	5.38	-47.63
C[NH+](C)CC1(C(=O)N2CCCC2C2=N[N-]N=N2)CCCCC1	REAL300019670911	0	48	0.0	-74.65	330.75	5.29	-69.36
C[NH+](C)CC1(C(=O)N2CCCC2C2=NN=N[N-]2)CCCCC1	REAL300019670911	1	48	0.0	-74.68	330.80	5.31	-69.37
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670912	0	33	-1.0	-46.42	287.96	1.52	-44.90
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670912	1	33	-1.0	-46.43	287.90	1.51	-44.92
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCCC2C2=N[N-]N=N2)C1(C)C	REAL300019670913	0	44	-1.0	-51.00	342.29	5.28	-45.72
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCCC2C2=NN=N[N-]2)C1(C)C	REAL300019670913	1	44	-1.0	-51.00	342.34	5.30	-45.70
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300019670914	0	39	-1.0	-52.62	351.98	3.81	-48.81
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300019670914	1	39	-1.0	-52.63	351.92	3.79	-48.84
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670915	0	40	-1.0	-55.19	350.23	5.24	-49.95
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670915	1	40	-1.0	-55.18	350.17	5.23	-49.95
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)=N1	REAL300019670916	0	46	-1.0	-57.86	378.73	5.04	-52.82
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300019670916	1	46	-1.0	-57.89	378.78	5.06	-52.83
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300019670916	1	47	0.0	-74.13	381.92	5.50	-68.63
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670917	0	35	-2.0	-91.52	320.70	-0.24	-91.76
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670917	1	35	-2.0	-91.51	320.75	-0.22	-91.73
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670918	0	34	-2.0	-95.85	298.00	1.49	-94.36
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670918	1	34	-2.0	-95.82	298.06	1.50	-94.32
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670919	0	30	-2.0	-95.08	280.42	2.09	-92.99
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670919	1	30	-2.0	-95.08	280.47	2.11	-92.97
C[N@H+](CCC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL300019670920	0	48	0.0	-64.82	353.22	6.01	-58.81
C[N@@H+](CCC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL300019670920	1	48	0.0	-64.85	353.31	6.00	-58.85
C[N@H+](CCC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL300019670920	1	48	0.0	-64.86	353.27	6.03	-58.83
C[N@@H+](CCC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL300019670920	1	48	0.0	-64.86	353.37	6.02	-58.84
CCC1CCCCC1OCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670921	0	46	-1.0	-57.03	351.82	6.08	-50.95
CCC1CCCCC1OCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670921	1	46	-1.0	-57.03	351.88	6.11	-50.92
COC1=CC=C(C(=O)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300019670922	0	36	-1.0	-49.90	317.85	3.69	-46.21
COC1=CC=C(C(=O)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300019670922	1	36	-1.0	-49.88	317.91	3.70	-46.18
CN1C=C(N2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC2=O)C=N1	REAL300019670923	0	40	-1.0	-43.19	324.33	2.85	-40.34
CN1C=C(N2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC2=O)C=N1	REAL300019670923	1	40	-1.0	-43.19	324.27	2.86	-40.33
O=C(CCCC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL300019670924	0	47	-1.0	-68.19	386.80	5.24	-62.95
O=C(CCCC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL300019670924	1	47	-1.0	-68.22	386.86	5.27	-62.95
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300019670925	0	49	-1.0	-40.32	387.16	1.68	-38.64
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300019670925	1	49	-1.0	-40.30	387.22	1.68	-38.62
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670926	0	40	-1.0	-57.26	348.44	4.96	-52.30
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670926	1	40	-1.0	-57.25	348.50	4.98	-52.27
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670927	0	41	-1.0	-51.54	334.44	0.87	-50.67
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670927	1	41	-1.0	-51.53	334.38	0.84	-50.69
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670928	0	42	-1.0	-53.92	360.95	7.25	-46.67
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670928	1	42	-1.0	-53.89	361.00	7.28	-46.61
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC(F)F	REAL300019670929	0	34	-1.0	-57.87	299.38	0.86	-57.01
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC(F)F	REAL300019670929	1	34	-1.0	-57.85	299.32	0.84	-57.01
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670930	0	50	-1.0	-60.83	386.23	7.79	-53.04
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670930	1	50	-1.0	-60.88	386.29	7.82	-53.06
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NN=C1C1=CC=CC=C1	REAL300019670931	0	40	-1.0	-50.67	328.73	4.63	-46.04
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NN=C1C1=CC=CC=C1	REAL300019670931	1	40	-1.0	-50.64	328.79	4.65	-45.99
N#CC1=CC=C(C(=O)NCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670932	0	38	-1.0	-49.64	334.41	2.85	-46.79
N#CC1=CC=C(C(=O)NCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670932	1	38	-1.0	-49.66	334.47	2.87	-46.79
CC1=CC(C)=NC(=O)N1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670933	0	38	-1.0	-75.73	317.02	2.11	-73.62
CC1=CC(C)=NC(=O)N1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670933	1	38	-1.0	-75.70	317.07	2.14	-73.56
CC1=C(Br)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N1	REAL300019670934	0	33	-1.0	-60.37	303.21	1.90	-58.47
CC1=C(Br)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N1	REAL300019670934	1	33	-1.0	-60.38	303.27	1.92	-58.46
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670935	0	38	-2.0	-104.23	326.08	0.52	-103.71
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670935	1	38	-2.0	-104.24	326.13	0.53	-103.71
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670936	0	44	-1.0	-55.56	376.90	1.69	-53.87
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670936	1	44	-1.0	-55.55	376.95	1.71	-53.84
O=C(C1=CC=CC(I)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670937	0	30	-2.0	-112.01	285.70	3.94	-108.07
O=C(C1=CC=CC(I)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670937	1	30	-2.0	-112.04	285.76	3.96	-108.08
O=C(C1=CC=CC(I)=C1O)N1CCCC1C1=N[N-]N=N1	REAL300019670937	1	31	-1.0	-54.90	287.97	2.96	-51.94
O=C(C1=CC=CC(I)=C1O)N1CCCC1C1=NN=N[N-]1	REAL300019670937	1	31	-1.0	-54.90	288.02	2.97	-51.93
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670938	0	41	-1.0	-55.77	355.86	0.84	-54.93
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670938	1	41	-1.0	-55.80	355.91	0.86	-54.94
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670939	0	37	-1.0	-55.05	326.77	6.23	-48.82
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670939	1	37	-1.0	-55.04	326.83	6.24	-48.80
CC1=CC(Br)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670940	0	33	-1.0	-50.85	293.46	4.81	-46.04
CC1=CC(Br)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670940	1	33	-1.0	-50.88	293.52	4.83	-46.05
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019670941	0	38	-1.0	-49.66	326.61	5.74	-43.92
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019670941	1	38	-1.0	-49.66	326.67	5.75	-43.91
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670942	0	40	-1.0	-60.69	332.52	6.27	-54.42
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670942	1	40	-1.0	-60.71	332.46	6.25	-54.46
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670943	0	41	-1.0	-48.29	348.70	6.11	-42.18
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670943	1	41	-1.0	-48.29	348.75	6.14	-42.15
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCCC1C1=N[N-]N=N1	REAL300019670944	0	38	-1.0	-54.76	331.81	5.02	-49.74
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCCC1C1=NN=N[N-]1	REAL300019670944	1	38	-1.0	-54.77	331.87	5.05	-49.72
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670945	0	51	-1.0	-61.93	394.07	6.44	-55.49
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670945	1	51	-1.0	-61.89	394.13	6.47	-55.42
O=C(C1=COC(C2CCOCC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019670946	0	40	-1.0	-50.80	327.40	0.93	-49.87
O=C(C1=COC(C2CCOCC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019670946	1	40	-1.0	-50.84	327.46	0.96	-49.88
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670947	0	41	-2.0	-120.15	338.15	1.46	-118.69
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670947	1	41	-2.0	-120.11	338.19	1.46	-118.65
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670947	1	42	-1.0	-58.19	357.26	-0.09	-58.28
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670947	1	42	-1.0	-58.21	357.32	-0.08	-58.29
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670948	0	43	-1.0	-51.44	343.48	3.44	-48.00
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670948	1	43	-1.0	-51.46	343.43	3.42	-48.04
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019670949	0	39	-1.0	-48.62	361.61	4.99	-43.63
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019670949	1	39	-1.0	-48.64	361.55	4.97	-43.67
COC1=CC=C(C(=O)CCCCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670950	0	48	-1.0	-54.46	393.15	6.18	-48.28
COC1=CC=C(C(=O)CCCCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670950	1	48	-1.0	-54.53	393.21	6.20	-48.33
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019670951	0	45	-1.0	-61.98	379.09	3.70	-58.28
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019670951	1	45	-1.0	-62.03	379.14	3.73	-58.30
CC1=CC(Cl)=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300019670952	0	36	-1.0	-41.34	295.50	4.79	-36.55
CC1=CC(Cl)=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300019670952	1	36	-1.0	-41.35	295.53	4.79	-36.56
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670953	0	35	-1.0	-49.92	294.64	4.55	-45.37
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670953	1	35	-1.0	-49.94	294.70	4.58	-45.36
CC(C)C1CC(CC(=O)N2CCCC2C2=N[N-]N=N2)CCO1	REAL300019670954	0	46	-1.0	-51.50	342.54	4.46	-47.04
CC(C)C1CC(CC(=O)N2CCCC2C2=NN=N[N-]2)CCO1	REAL300019670954	1	46	-1.0	-51.48	342.60	4.48	-47.00
CC1=C(C(=O)NCC(=O)N2CCCC2C2=N[N-]N=N2)C=CO1	REAL300019670955	0	37	-1.0	-50.67	315.25	1.23	-49.44
CC1=C(C(=O)NCC(=O)N2CCCC2C2=NN=N[N-]2)C=CO1	REAL300019670955	1	37	-1.0	-50.65	315.31	1.26	-49.39
O=C(CSC1=NN=C2C=CC=CN21)N1CCCC1C1=NN=N[N-]1	REAL300019670956	0	36	-1.0	-57.14	323.13	5.69	-51.45
O=C(CSC1=NN=C2C=CC=CN21)N1CCCC1C1=N[N-]N=N1	REAL300019670956	1	36	-1.0	-57.15	323.07	5.66	-51.49
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670957	0	40	-2.0	-129.27	355.04	4.37	-124.90
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670957	1	40	-2.0	-129.24	355.09	4.39	-124.85
CC1=CC=C(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)S2)O1	REAL300019670958	0	37	-1.0	-53.94	326.04	5.22	-48.72
CC1=CC=C(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)S2)O1	REAL300019670958	1	37	-1.0	-53.94	326.10	5.25	-48.69
O=C(CCC1CC1(Cl)Cl)N1CCCC1C1=N[N-]N=N1	REAL300019672202	0	33	-1.0	-53.33	303.80	5.02	-48.31
O=C(CCC1CC1(Cl)Cl)N1CCCC1C1=NN=N[N-]1	REAL300019672202	1	33	-1.0	-53.38	303.86	5.05	-48.33
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300019672203	0	41	-1.0	-52.81	335.41	2.36	-50.45
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300019672203	1	41	-1.0	-52.81	335.48	2.38	-50.43
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672204	0	43	-1.0	-50.73	348.90	2.92	-47.81
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672204	1	43	-1.0	-50.76	348.96	2.95	-47.81
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672205	0	50	-1.0	-65.42	388.91	4.76	-60.66
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672205	1	50	-1.0	-65.45	388.96	4.79	-60.66
O=C(CC1=CC=C(Br)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019672206	0	33	-1.0	-50.12	306.00	5.33	-44.79
O=C(CC1=CC=C(Br)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019672206	1	33	-1.0	-50.12	306.06	5.35	-44.77
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019672207	0	36	-1.0	-50.14	299.26	3.25	-46.89
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019672207	1	36	-1.0	-50.10	299.20	3.25	-46.85
CC(C)N(CC(=O)N1CCCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019672208	0	49	-1.0	-62.46	378.09	5.29	-57.17
CC(C)N(CC(=O)N1CCCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019672208	1	49	-1.0	-62.46	378.15	5.32	-57.14
CC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300019672209	0	45	-1.0	-42.40	352.26	5.74	-36.66
CC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300019672209	1	45	-1.0	-42.43	352.30	5.75	-36.68
NC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300019672210	0	42	-1.0	-53.33	344.37	4.27	-49.06
NC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300019672210	1	42	-1.0	-53.35	344.32	4.26	-49.09
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300019672211	0	43	-1.0	-60.72	354.24	6.74	-53.98
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)=N1	REAL300019672211	1	43	-1.0	-60.72	354.18	6.73	-53.99
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019672212	0	33	-1.0	-44.98	308.07	5.22	-39.76
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019672212	1	33	-1.0	-45.02	308.13	5.24	-39.78
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019672213	0	36	-1.0	-53.83	312.29	6.32	-47.51
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019672213	1	36	-1.0	-53.86	312.23	6.31	-47.55
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCC1C1=NN=N[N-]1	REAL300019672214	0	36	-1.0	-61.96	328.12	5.57	-56.39
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCC1C1=N[N-]N=N1	REAL300019672214	1	36	-1.0	-61.98	328.06	5.55	-56.43
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300019672215	0	44	-1.0	-56.94	360.94	5.38	-51.56
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)N1C1=CN(C)N=C1	REAL300019672215	1	44	-1.0	-56.95	360.88	5.36	-51.59
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019672216	0	39	-1.0	-54.16	350.68	5.04	-49.12
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019672216	1	39	-1.0	-54.17	350.62	5.02	-49.15
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672217	0	43	0.0	-72.43	339.20	4.15	-68.28
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672217	1	43	0.0	-72.42	339.26	4.17	-68.25
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672218	0	44	-1.0	-45.50	355.52	3.81	-41.69
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672218	1	44	-1.0	-45.50	355.45	3.81	-41.69
NC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(Br)=N1	REAL300019672219	0	31	-1.0	-51.56	282.38	1.04	-50.52
NC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(Br)=N1	REAL300019672219	1	31	-1.0	-51.58	282.32	1.03	-50.55
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019672220	0	44	-1.0	-62.17	370.20	8.23	-53.94
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019672220	1	44	-1.0	-62.20	370.26	8.26	-53.94
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCC3C3=N[N-]N=N3)=CNC2=C1	REAL300019672221	0	44	-1.0	-67.26	367.02	3.52	-63.74
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCC3C3=NN=N[N-]3)=CNC2=C1	REAL300019672221	1	44	-1.0	-67.24	367.08	3.53	-63.71
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019672222	0	38	-1.0	-54.64	319.03	2.44	-52.20
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019672222	1	38	-1.0	-54.64	319.09	2.46	-52.18
CC(C(=O)N1CCCC1C1=N[N-]N=N1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019672223	0	53	-1.0	-66.56	407.08	2.85	-63.71
CC(C(=O)N1CCCC1C1=NN=N[N-]1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019672223	1	53	-1.0	-66.57	407.14	2.87	-63.70
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672224	0	41	-1.0	-57.35	334.80	0.51	-56.84
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672224	1	41	-1.0	-57.35	334.86	0.52	-56.83
COC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC(F)F	REAL300019672225	0	41	-1.0	-60.67	347.75	4.15	-56.52
COC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC(F)F	REAL300019672225	1	41	-1.0	-60.67	347.81	4.18	-56.49
CC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1Br	REAL300019672226	0	36	-1.0	-50.97	315.65	5.75	-45.22
CC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1Br	REAL300019672226	1	36	-1.0	-50.99	315.71	5.76	-45.23
O=C(C1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672227	0	45	-1.0	-42.90	348.09	2.52	-40.38
O=C(C1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672227	1	45	-1.0	-42.90	348.15	2.55	-40.35
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672228	0	39	-1.0	-51.12	322.70	3.50	-47.62
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672228	1	39	-1.0	-51.15	322.64	3.51	-47.64
CC1=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=NC=C1Cl	REAL300019672229	0	35	-1.0	-59.35	308.50	4.15	-55.20
CC1=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=NC=C1Cl	REAL300019672229	1	35	-1.0	-59.33	308.55	4.16	-55.17
NC1=C(Cl)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300019672230	0	32	-1.0	-38.90	294.94	2.28	-36.62
NC1=C(Cl)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300019672230	1	32	-1.0	-38.84	295.01	2.29	-36.55
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019672231	0	33	-1.0	-50.75	305.02	5.03	-45.72
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019672231	1	33	-1.0	-50.76	305.08	5.05	-45.71
CCN1C(=O)NC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300019672232	0	40	-1.0	-53.11	331.08	3.39	-49.72
CCN1C(=O)NC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300019672232	1	40	-1.0	-53.11	331.14	3.42	-49.69
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672233	0	41	-1.0	-53.36	335.51	4.01	-49.35
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672233	1	41	-1.0	-53.41	335.57	4.03	-49.38
COC(=O)N1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019672234	0	41	-1.0	-59.33	324.03	2.59	-56.74
COC(=O)N1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019672234	1	41	-1.0	-59.28	324.09	2.61	-56.67
O=C(OCC1=CC=CC=C1)N1CCC2(CC2C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672235	0	52	-1.0	-52.95	424.41	7.34	-45.61
O=C(OCC1=CC=CC=C1)N1CCC2(CC2C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672235	1	52	-1.0	-52.92	424.46	7.36	-45.56
O=C(CCC1=CC=CN=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019672236	0	35	-1.0	-51.47	308.32	4.02	-47.45
O=C(CCC1=CC=CN=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019672236	1	35	-1.0	-51.52	308.26	4.00	-47.52
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672237	0	53	-1.0	-49.42	391.00	5.59	-43.83
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672237	1	53	-1.0	-49.45	391.05	5.62	-43.83
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672238	0	53	-1.0	-52.47	413.60	2.20	-50.27
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672238	1	53	-1.0	-52.48	413.66	2.22	-50.26
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300019672239	0	49	-1.0	-55.57	400.74	1.15	-54.42
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300019672239	1	49	-1.0	-55.58	400.68	1.13	-54.45
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672240	0	54	-1.0	-57.83	419.37	7.50	-50.33
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672240	1	54	-1.0	-57.85	419.42	7.52	-50.33
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019672241	0	37	-1.0	-60.52	334.04	0.94	-59.58
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019672241	1	37	-1.0	-60.49	334.10	0.97	-59.52
O=C(C1=CC(Br)=CNC1=O)N1CCCC1C1=N[N-]N=N1	REAL300019672242	0	30	-1.0	-40.92	268.03	0.41	-40.51
O=C(C1=CC(Br)=CNC1=O)N1CCCC1C1=NN=N[N-]1	REAL300019672242	1	30	-1.0	-40.92	268.11	0.41	-40.51
O=C(C1=CN=C2CCCCCN12)N1CCCC1C1=N[N-]N=N1	REAL300019672243	0	40	-1.0	-53.68	305.73	3.95	-49.73
O=C(C1=CN=C2CCCCCN12)N1CCCC1C1=NN=N[N-]1	REAL300019672243	1	40	-1.0	-53.69	305.79	3.97	-49.72
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC1C1=NN=N[N-]1	REAL300019672244	0	39	-1.0	-54.86	329.22	6.72	-48.14
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC1C1=N[N-]N=N1	REAL300019672244	1	39	-1.0	-54.87	329.16	6.69	-48.18
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019672245	0	36	-1.0	-64.88	315.93	0.21	-64.67
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019672245	1	36	-1.0	-64.86	315.99	0.23	-64.63
O=C(C1=CC2=CSC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019672246	0	30	-1.0	-53.84	279.60	3.89	-49.95
O=C(C1=CC2=CSC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019672246	1	30	-1.0	-53.82	279.66	3.90	-49.92
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCC1C1=N[N-]N=N1	REAL300019672247	0	38	-1.0	-53.82	321.17	6.89	-46.93
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCC1C1=NN=N[N-]1	REAL300019672247	1	38	-1.0	-53.84	321.23	6.92	-46.92
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019672248	0	37	-1.0	-59.93	336.59	6.86	-53.07
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019672248	1	37	-1.0	-59.90	336.65	6.88	-53.02
CC1=CC=C2OC=C(CC(=O)N3CCCC3C3=N[N-]N=N3)C2=C1	REAL300019672249	0	39	-1.0	-55.79	328.57	5.70	-50.09
CC1=CC=C2OC=C(CC(=O)N3CCCC3C3=NN=N[N-]3)C2=C1	REAL300019672249	1	39	-1.0	-55.78	328.62	5.72	-50.06
COC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019672250	0	37	-1.0	-53.20	312.12	4.57	-48.63
COC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019672250	1	37	-1.0	-53.18	312.18	4.58	-48.60
CCCC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019672251	0	42	-1.0	-50.01	354.05	7.05	-42.96
CCCC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019672251	1	42	-1.0	-49.99	354.11	7.07	-42.92
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(C)N1C1=NN(C)C=C1	REAL300019672252	0	44	-1.0	-60.77	359.08	6.04	-54.73
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(C)N1C1=NN(C)C=C1	REAL300019672252	1	44	-1.0	-60.73	359.02	6.03	-54.70
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672253	0	50	-1.0	-52.19	395.51	1.48	-50.71
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672253	1	50	-1.0	-52.13	395.58	1.49	-50.64
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672254	0	40	-1.0	-55.08	335.20	7.05	-48.03
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672254	1	40	-1.0	-55.07	335.26	7.08	-47.99
O=C(CN1CSCCSC1)N1CCCC1C1=N[N-]N=N1	REAL300019672255	0	37	-1.0	-52.42	313.54	2.44	-49.98
O=C(CN1CSCCSC1)N1CCCC1C1=NN=N[N-]1	REAL300019672255	1	37	-1.0	-52.41	313.60	2.47	-49.94
O=C(CCC(=O)N1CCCC1C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300019672256	0	38	-1.0	-55.11	328.12	5.34	-49.77
O=C(CCC(=O)N1CCCC1C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300019672256	1	38	-1.0	-55.11	328.18	5.37	-49.74
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCC1C1=N[N-]N=N1	REAL300019672257	0	46	-1.0	-56.60	374.00	4.79	-51.81
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCC1C1=NN=N[N-]1	REAL300019672257	1	46	-1.0	-56.58	374.06	4.82	-51.76
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672258	0	51	-1.0	-69.65	390.00	2.73	-66.92
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672258	1	51	-1.0	-69.63	390.04	2.73	-66.90
O=C(C1CC(=O)NC2CCCCC21)N1CCCC1C1=N[N-]N=N1	REAL300019672259	0	44	-1.0	-61.07	327.69	2.23	-58.84
O=C(C1CC(=O)NC2CCCCC21)N1CCCC1C1=NN=N[N-]1	REAL300019672259	1	44	-1.0	-61.09	327.74	2.26	-58.83
N#CC1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019672260	0	33	-2.0	-106.06	305.50	-0.86	-106.92
N#CC1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019672260	1	33	-2.0	-106.03	305.56	-0.84	-106.87
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019672261	0	44	0.0	-68.84	337.70	3.37	-65.47
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019672261	1	44	0.0	-68.85	337.64	3.34	-65.51
O=C(CC1=CC=C(Br)C(O)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672262	0	34	-1.0	-52.24	310.68	2.49	-49.75
O=C(CC1=CC=C(Br)C(O)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672262	1	34	-1.0	-52.24	310.74	2.51	-49.73
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672263	0	47	-1.0	-56.05	376.85	-0.13	-56.18
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672263	1	47	-1.0	-56.06	376.91	-0.10	-56.16
N#CC1=CN(CCC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019672264	0	36	-2.0	-94.76	326.53	-0.40	-95.16
N#CC1=CN(CCC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019672264	1	36	-2.0	-94.76	326.59	-0.39	-95.15
COC1=CC=C(CN2CCC2C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672265	0	46	-1.0	-59.74	369.64	2.64	-57.10
COC1=CC=C(CN2CCC2C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672265	1	46	-1.0	-59.77	369.70	2.66	-57.11
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672266	0	41	-1.0	-50.84	330.78	2.55	-48.29
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672266	1	41	-1.0	-50.84	330.73	2.52	-48.32
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672267	0	38	-1.0	-45.51	309.89	1.04	-44.47
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672267	1	38	-1.0	-45.49	309.83	1.04	-44.45
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672267	1	37	-2.0	-118.48	306.39	2.07	-116.41
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672267	1	37	-2.0	-118.47	306.33	2.06	-116.41
CN(CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672268	0	44	-1.0	-52.29	352.19	4.55	-47.74
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672268	1	45	0.0	-60.63	354.01	6.84	-53.79
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672268	1	45	0.0	-60.52	354.02	6.83	-53.69
CN(CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672268	1	44	-1.0	-52.35	352.25	4.57	-47.78
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672269	0	49	0.0	-65.07	383.00	3.04	-62.03
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672269	1	49	0.0	-67.22	382.99	3.04	-64.18
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672269	1	49	0.0	-65.08	383.06	3.06	-62.02
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672269	1	49	0.0	-67.29	383.05	3.07	-64.22
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1CSCCSC1	REAL300019672270	0	40	-1.0	-52.25	328.80	2.67	-49.58
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1CSCCSC1	REAL300019672270	1	40	-1.0	-52.26	328.85	2.68	-49.58
O=C(CCN1CSCCSC1)N1CCCC1C1=N[N-]N=N1	REAL300019672271	0	40	-1.0	-52.72	333.20	2.76	-49.96
O=C(CCN1CSCCSC1)N1CCCC1C1=NN=N[N-]1	REAL300019672271	1	40	-1.0	-52.73	333.26	2.79	-49.94
NC(=O)C1=CN(CCC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)NC1=O	REAL300019672272	0	40	-1.0	-52.11	341.70	-1.94	-54.05
NC(=O)C1=CN(CCC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)NC1=O	REAL300019672272	1	40	-1.0	-52.10	341.76	-1.91	-54.01
O=C(C1CC2=C(Cl)C=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019672273	0	34	-1.0	-52.43	298.05	5.59	-46.84
O=C(C1CC2=C(Cl)C=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019672273	1	34	-1.0	-52.40	298.11	5.62	-46.78
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672274	0	35	-1.0	-42.39	301.90	3.12	-39.27
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672274	1	35	-1.0	-42.47	301.96	3.12	-39.35
CCSC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300019672275	0	40	-1.0	-53.13	358.57	6.99	-46.14
CCSC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300019672275	1	40	-1.0	-53.14	358.62	7.01	-46.13
O=C(C1CCC2=CC=CC=C2CC1)N1CCCC1C1=N[N-]N=N1	REAL300019672276	0	43	-1.0	-54.70	333.80	6.67	-48.03
O=C(C1CCC2=CC=CC=C2CC1)N1CCCC1C1=NN=N[N-]1	REAL300019672276	1	43	-1.0	-54.73	333.86	6.69	-48.04
O=C(CC(C1CCC1)C1CCC1)N1CCCC1C1=N[N-]N=N1	REAL300019672277	0	46	-1.0	-53.42	343.95	6.86	-46.56
O=C(CC(C1CCC1)C1CCC1)N1CCCC1C1=NN=N[N-]1	REAL300019672277	1	46	-1.0	-53.41	344.01	6.89	-46.52
CC1=CC=C(COC(C)C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672278	0	43	-1.0	-57.94	351.61	6.27	-51.67
CC1=CC=C(COC(C)C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672278	1	43	-1.0	-57.90	351.67	6.29	-51.61
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019672279	0	33	-1.0	-50.93	310.40	5.60	-45.33
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019672279	1	33	-1.0	-50.96	310.46	5.61	-45.35
O=C(C1=C2SC=CC2=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672280	0	31	-1.0	-51.65	278.31	3.83	-47.82
O=C(C1=C2SC=CC2=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672280	1	31	-1.0	-51.63	278.25	3.81	-47.82
CCCCCCCCC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672281	0	50	-1.0	-52.26	387.15	7.56	-44.70
CCCCCCCCC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672281	1	50	-1.0	-52.27	387.21	7.57	-44.70
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672282	0	54	-1.0	-60.19	414.45	6.68	-53.51
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672282	1	54	-1.0	-60.17	414.50	6.70	-53.47
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019672283	0	47	-1.0	-48.49	373.42	2.67	-45.82
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019672283	1	47	-1.0	-48.48	373.48	2.70	-45.78
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672284	0	53	-1.0	-65.12	401.97	5.61	-59.51
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672284	1	53	-1.0	-65.12	402.03	5.63	-59.49
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672285	0	41	-1.0	-65.35	350.80	4.36	-60.99
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672285	1	41	-1.0	-65.34	350.75	4.35	-60.99
COC1=CC=C(CNC(=O)C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672286	0	45	-1.0	-52.04	381.13	2.95	-49.09
COC1=CC=C(CNC(=O)C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672286	1	45	-1.0	-51.99	381.18	2.97	-49.02
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672287	0	34	-1.0	-53.89	319.54	5.68	-48.21
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672287	1	34	-1.0	-53.94	319.59	5.70	-48.24
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672288	0	38	-1.0	-56.31	324.51	4.71	-51.60
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672288	1	38	-1.0	-56.32	324.56	4.73	-51.59
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672289	0	34	-1.0	-47.61	312.64	3.90	-43.71
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672289	1	34	-1.0	-47.58	312.69	3.93	-43.65
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300019672290	0	34	-1.0	-49.53	301.22	3.56	-45.97
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300019672290	1	34	-1.0	-49.52	301.28	3.58	-45.94
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300019672291	0	37	-1.0	-38.21	310.05	3.59	-34.62
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300019672291	1	37	-1.0	-38.20	310.11	3.59	-34.61
O=C(C1COC2=CC(F)=CC=C2C1)N1CCCC1C1=N[N-]N=N1	REAL300019672292	0	38	-1.0	-48.47	311.45	4.28	-44.19
O=C(C1COC2=CC(F)=CC=C2C1)N1CCCC1C1=NN=N[N-]1	REAL300019672292	1	38	-1.0	-48.41	311.51	4.31	-44.10
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL300019672293	0	36	-1.0	-55.96	316.81	0.07	-55.89
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL300019672293	1	36	-1.0	-55.93	316.86	0.08	-55.85
CC1=CC=CC=C1COC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672294	0	43	-1.0	-59.82	345.16	6.22	-53.60
CC1=CC=CC=C1COC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672294	1	43	-1.0	-59.77	345.22	6.24	-53.53
O=C(C1=CSC(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672295	0	30	-1.0	-49.53	281.38	3.68	-45.85
O=C(C1=CSC(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672295	1	30	-1.0	-49.54	281.43	3.69	-45.85
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019672296	0	43	-1.0	-55.46	336.53	6.83	-48.63
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019672296	1	43	-1.0	-55.43	336.59	6.85	-48.58
COCCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019672297	0	40	-1.0	-59.95	331.14	2.04	-57.91
COCCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019672297	1	40	-1.0	-59.93	331.08	2.03	-57.90
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1CCOCC1	REAL300019672298	0	44	-1.0	-57.75	351.19	3.48	-54.27
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1CCOCC1	REAL300019672298	1	44	-1.0	-57.70	351.25	3.51	-54.19
CN1C=C(N2CC(C(=O)N3CCCC3C3=NN=N[N-]3)CC2=O)C=N1	REAL300019672299	0	41	-1.0	-55.25	338.40	2.64	-52.61
CN1C=C(N2CC(C(=O)N3CCCC3C3=N[N-]N=N3)CC2=O)C=N1	REAL300019672299	1	41	-1.0	-55.24	338.34	2.62	-52.62
O=C(C1=C2C=CSC2=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672300	0	32	-1.0	-45.16	273.22	2.51	-42.65
O=C(C1=C2C=CSC2=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672300	1	32	-1.0	-45.16	273.16	2.51	-42.65
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672301	0	37	-1.0	-57.45	334.44	6.01	-51.44
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672301	1	37	-1.0	-57.44	334.49	6.02	-51.42
COC1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300019672302	0	40	-1.0	-52.92	347.34	5.25	-47.67
COC1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300019672302	1	40	-1.0	-52.94	347.39	5.27	-47.67
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672303	0	39	-1.0	-50.20	321.84	3.45	-46.75
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672303	1	39	-1.0	-50.17	321.76	3.47	-46.70
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019672304	0	36	-1.0	-51.85	327.01	5.87	-45.98
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019672304	1	36	-1.0	-51.86	327.07	5.90	-45.96
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672305	0	44	-1.0	-41.94	378.85	6.81	-35.13
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672305	1	44	-1.0	-41.97	378.92	6.83	-35.14
O=C(C1=C(Br)N=C2COCCN21)N1CCCC1C1=N[N-]N=N1	REAL300019672306	0	35	-1.0	-54.36	314.95	2.03	-52.33
O=C(C1=C(Br)N=C2COCCN21)N1CCCC1C1=NN=N[N-]1	REAL300019672306	1	35	-1.0	-54.38	315.01	2.04	-52.34
CC1=CC=CC=C1COCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672307	0	40	-1.0	-58.76	329.91	5.77	-52.99
CC1=CC=CC=C1COCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672307	1	40	-1.0	-58.77	329.96	5.80	-52.97
CC1=CC=CC(COCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672308	0	40	-1.0	-57.45	335.14	5.75	-51.70
CC1=CC=CC(COCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672308	1	40	-1.0	-57.42	335.20	5.78	-51.64
O=C(C1=C2SC=CC2=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672309	0	32	-1.0	-57.57	283.13	4.11	-53.46
O=C(C1=C2SC=CC2=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672309	1	32	-1.0	-57.56	283.07	4.08	-53.48
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019672310	0	41	-1.0	-51.81	344.65	4.94	-46.87
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019672310	1	41	-1.0	-51.83	344.70	4.97	-46.86
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCCC1C1=N[N-]N=N1	REAL300019672311	0	39	-1.0	-75.38	306.13	3.27	-72.11
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCCC1C1=NN=N[N-]1	REAL300019672311	1	39	-1.0	-75.41	306.18	3.28	-72.13
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019672312	0	36	-2.0	-104.90	319.43	-0.34	-105.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019672312	1	36	-2.0	-104.89	319.37	-0.37	-105.26
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019672312	1	37	-1.0	-58.84	319.50	-0.20	-59.04
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019672312	1	37	-1.0	-58.86	319.44	-0.22	-59.08
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019672313	0	36	-1.0	-51.63	310.00	3.03	-48.60
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019672313	1	36	-1.0	-51.60	309.94	3.02	-48.58
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672314	0	33	-1.0	-52.17	305.44	3.80	-48.37
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672314	1	33	-1.0	-52.20	305.39	3.78	-48.42
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672315	0	41	-1.0	-51.03	329.78	2.83	-48.20
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672315	1	41	-1.0	-51.00	329.72	2.81	-48.19
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672316	0	36	-1.0	-52.95	341.30	5.84	-47.11
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672316	1	36	-1.0	-52.95	341.24	5.81	-47.14
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672317	0	47	-1.0	-57.84	371.02	2.64	-55.20
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672317	1	47	-1.0	-57.86	371.08	2.67	-55.19
CC1=CC=C(COCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672318	0	40	-1.0	-57.46	335.20	5.75	-51.71
CC1=CC=C(COCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672318	1	40	-1.0	-57.43	335.26	5.78	-51.65
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCC1C1=N[N-]N=N1	REAL300019672319	0	33	-1.0	-50.69	296.50	2.82	-47.87
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCC1C1=NN=N[N-]1	REAL300019672319	1	33	-1.0	-50.74	296.56	2.84	-47.90
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019672320	0	33	-1.0	-44.87	274.17	4.40	-40.47
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019672320	1	33	-1.0	-44.85	274.21	4.42	-40.43
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672321	0	44	-1.0	-58.54	350.15	4.65	-53.89
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672321	1	44	-1.0	-58.58	350.21	4.68	-53.90
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(SCC2=CC=CC=C2)=N1	REAL300019672322	0	43	-1.0	-50.27	379.38	6.49	-43.78
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(SCC2=CC=CC=C2)=N1	REAL300019672322	1	43	-1.0	-50.29	379.44	6.51	-43.78
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672323	0	37	-1.0	-57.19	316.69	4.71	-52.48
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672323	1	37	-1.0	-57.20	316.63	4.69	-52.51
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019672324	0	32	-1.0	-53.81	296.15	3.52	-50.29
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019672324	1	32	-1.0	-53.80	296.09	3.49	-50.31
COC1=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1O	REAL300019672325	0	45	-1.0	-53.46	370.20	2.47	-50.99
COC1=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1O	REAL300019672325	1	45	-1.0	-53.50	370.25	2.50	-51.00
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC1C1=N[N-]N=N1	REAL300019672326	0	40	-1.0	-51.96	336.96	3.91	-48.05
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC1C1=NN=N[N-]1	REAL300019672326	1	40	-1.0	-51.96	337.01	3.94	-48.02
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672327	0	46	-1.0	-55.51	370.56	7.20	-48.31
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672327	1	46	-1.0	-55.48	370.51	7.19	-48.29
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672328	0	40	-1.0	-52.35	343.62	3.97	-48.38
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672328	1	40	-1.0	-52.35	343.56	3.96	-48.39
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672329	0	42	-1.0	-55.99	328.52	4.05	-51.94
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672329	1	42	-1.0	-55.96	328.58	4.08	-51.88
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672330	0	33	-1.0	-55.27	301.67	3.84	-51.43
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672330	1	33	-1.0	-55.29	301.61	3.83	-51.46
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672331	0	40	-1.0	-56.52	343.72	3.96	-52.56
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672331	1	40	-1.0	-56.54	343.67	3.93	-52.61
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCC1C1=N[N-]N=N1	REAL300019672332	0	41	-1.0	-53.87	335.46	4.01	-49.86
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCC1C1=NN=N[N-]1	REAL300019672332	1	41	-1.0	-53.85	335.52	4.04	-49.81
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672333	0	41	-1.0	-54.42	336.89	4.06	-50.36
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672333	1	41	-1.0	-54.44	336.96	4.08	-50.36
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672334	0	36	-1.0	-38.33	311.61	4.65	-33.68
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672334	1	36	-1.0	-38.32	311.54	4.65	-33.67
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCC3C3=N[N-]N=N3)[C@@H]2C1	REAL300019672335	0	51	-1.0	-52.69	393.74	5.22	-47.47
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCC3C3=NN=N[N-]3)[C@@H]2C1	REAL300019672335	1	51	-1.0	-52.67	393.80	5.24	-47.43
COC(=O)C=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019672336	0	37	-1.0	-51.75	326.39	4.22	-47.53
COC(=O)C=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019672336	1	37	-1.0	-51.72	326.44	4.25	-47.47
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672337	0	46	-1.0	-53.17	364.31	7.47	-45.70
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672337	1	46	-1.0	-53.18	364.37	7.48	-45.70
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672338	0	56	-1.0	-54.15	424.55	6.30	-47.85
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672338	1	56	-1.0	-54.13	424.61	6.32	-47.81
COC(=O)C1=C(C)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019672339	0	36	-1.0	-48.34	310.68	3.43	-44.91
COC(=O)C1=C(C)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019672339	1	36	-1.0	-48.30	310.74	3.46	-44.84
COC(=O)C1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300019672340	0	36	-1.0	-58.69	316.29	2.78	-55.91
COC(=O)C1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300019672340	1	36	-1.0	-58.72	316.23	2.75	-55.97
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672341	0	55	-1.0	-49.28	416.89	4.03	-45.25
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672341	1	55	-1.0	-49.32	416.95	4.05	-45.27
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300019672342	0	54	-1.0	-56.55	411.50	4.98	-51.57
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300019672342	1	54	-1.0	-56.60	411.56	5.00	-51.60
C[C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019672343	0	46	-1.0	-60.19	365.09	2.73	-57.46
C[C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019672343	1	46	-1.0	-60.23	365.14	2.76	-57.47
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672344	0	48	-1.0	-54.59	384.23	3.36	-51.23
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672344	1	48	-1.0	-54.59	384.29	3.38	-51.21
NC(=O)C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019672345	0	35	-1.0	-53.09	310.77	0.24	-52.85
NC(=O)C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019672345	1	35	-1.0	-53.14	310.83	0.25	-52.89
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL300019672346	0	35	-1.0	-52.55	310.40	-2.30	-54.85
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL300019672346	1	35	-1.0	-52.54	310.46	-2.28	-54.82
CSC1=CC=C(O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672347	0	35	-1.0	-43.15	293.42	2.67	-40.48
CSC1=CC=C(O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672347	1	35	-1.0	-43.13	293.46	2.65	-40.48
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672348	0	34	-1.0	-52.10	306.01	2.48	-49.62
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672348	1	34	-1.0	-52.14	306.07	2.50	-49.64
CC1=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300019672349	0	47	-1.0	-58.27	385.76	8.65	-49.62
CC1=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300019672349	1	47	-1.0	-58.24	385.82	8.67	-49.57
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCCC4C4=NN=N[N-]4)=CC=C32)=C1	REAL300019672350	0	46	-1.0	-47.32	372.09	8.33	-38.99
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCCC4C4=N[N-]N=N4)=CC=C32)=C1	REAL300019672350	1	46	-1.0	-47.24	372.01	8.34	-38.90
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL300019672351	0	38	-1.0	-47.26	328.75	3.11	-44.15
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL300019672351	1	38	-1.0	-47.19	328.69	3.09	-44.10
O=C(C1CCC2=CC(F)=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019672352	0	37	-1.0	-53.14	306.94	5.66	-47.48
O=C(C1CCC2=CC(F)=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019672352	1	37	-1.0	-53.15	306.99	5.67	-47.48
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300019672353	0	43	-1.0	-53.46	344.66	7.18	-46.28
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300019672353	1	43	-1.0	-53.46	344.71	7.20	-46.26
CCOCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019672354	0	40	-1.0	-55.81	331.49	2.23	-53.58
CCOCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019672354	1	40	-1.0	-55.78	331.43	2.21	-53.57
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672355	0	46	-1.0	-54.66	352.79	7.89	-46.77
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672355	1	46	-1.0	-54.72	352.84	7.91	-46.81
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672356	0	43	-1.0	-52.91	352.50	6.04	-46.87
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672356	1	43	-1.0	-52.93	352.44	6.03	-46.90
CCOC1=CC=CC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672357	0	41	-1.0	-55.88	339.62	5.37	-50.51
CCOC1=CC=CC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672357	1	41	-1.0	-55.86	339.68	5.40	-50.46
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672358	0	33	-1.0	-53.25	301.84	5.23	-48.02
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672358	1	33	-1.0	-53.26	301.89	5.25	-48.01
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672359	0	37	-1.0	-52.06	331.72	4.87	-47.19
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672359	1	37	-1.0	-52.10	331.78	4.89	-47.21
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672360	0	47	-1.0	-56.69	377.48	3.73	-52.96
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672360	1	47	-1.0	-56.71	377.53	3.76	-52.95
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672361	0	40	-1.0	-57.29	326.43	2.47	-54.82
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672361	1	40	-1.0	-57.26	326.37	2.44	-54.82
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019672362	0	39	-1.0	-54.75	339.84	4.19	-50.56
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019672362	1	39	-1.0	-54.79	339.89	4.22	-50.57
COC1=CC=CC(C(OC)C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672363	0	41	-1.0	-53.63	335.22	3.80	-49.83
COC1=CC=CC(C(OC)C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672363	1	41	-1.0	-53.58	335.28	3.81	-49.77
COCCOCCOCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672364	0	47	-1.0	-59.72	385.44	2.07	-57.65
COCCOCCOCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672364	1	47	-1.0	-59.70	385.50	2.10	-57.60
COC1=CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1OC	REAL300019672365	0	44	-1.0	-55.86	355.29	5.02	-50.84
COC1=CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1OC	REAL300019672365	1	44	-1.0	-55.86	355.35	5.06	-50.80
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300019672366	0	42	-1.0	-68.96	327.95	2.71	-66.25
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300019672366	1	42	-1.0	-68.93	327.89	2.69	-66.24
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019672367	0	43	-2.0	-134.08	358.73	5.00	-129.08
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019672367	1	43	-2.0	-134.07	358.79	5.02	-129.05
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672368	0	37	-1.0	-54.33	303.49	-1.93	-56.26
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672368	1	37	-1.0	-54.30	303.57	-1.94	-56.24
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672369	0	36	-2.0	-110.49	308.88	3.39	-107.10
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672369	1	36	-2.0	-110.48	308.82	3.36	-107.12
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672369	1	36	-2.0	-110.31	308.99	3.39	-106.92
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672369	1	36	-2.0	-110.32	308.93	3.37	-106.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672370	0	33	-2.0	-87.83	294.49	1.12	-86.71
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672370	1	33	-2.0	-87.83	294.44	1.09	-86.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672370	1	33	-2.0	-87.81	294.56	1.12	-86.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672370	1	33	-2.0	-87.81	294.50	1.09	-86.72
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300019672371	0	42	-1.0	-64.67	364.75	3.75	-60.92
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300019672371	1	42	-1.0	-64.63	364.70	3.72	-60.91
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672372	0	36	-1.0	-47.29	340.77	1.58	-45.71
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672372	1	36	-1.0	-47.30	340.71	1.56	-45.74
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCC1C1=N[N-]N=N1	REAL300019672373	0	30	-1.0	-50.62	268.49	1.56	-49.06
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCC1C1=NN=N[N-]1	REAL300019672373	1	30	-1.0	-50.63	268.55	1.57	-49.06
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC1C1=N[N-]N=N1	REAL300019672374	0	36	-2.0	-104.10	313.34	-0.83	-104.93
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC1C1=NN=N[N-]1	REAL300019672374	1	36	-2.0	-104.09	313.40	-0.81	-104.90
CN1C=CC(NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300019672375	0	42	-1.0	-50.05	339.97	4.41	-45.64
CN1C=CC(NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300019672375	1	42	-1.0	-50.03	339.90	4.40	-45.63
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019672376	0	44	-1.0	-50.42	350.98	3.74	-46.68
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019672376	1	44	-1.0	-50.39	351.04	3.76	-46.63
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300019672377	0	41	-1.0	-56.28	332.51	1.83	-54.45
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300019672377	1	41	-1.0	-56.26	332.57	1.85	-54.41
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(I)=NN1	REAL300019672378	0	30	-1.0	-52.75	288.49	1.80	-50.95
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(I)=NN1	REAL300019672378	1	30	-1.0	-52.74	288.55	1.83	-50.91
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672379	0	39	-1.0	-55.02	322.72	4.71	-50.31
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672379	1	39	-1.0	-55.04	322.78	4.73	-50.31
O=C(CCC1=NN=C(C2CC2)O1)N1CCCC1C1=N[N-]N=N1	REAL300019672380	0	38	-1.0	-53.87	324.14	0.05	-53.82
O=C(CCC1=NN=C(C2CC2)O1)N1CCCC1C1=NN=N[N-]1	REAL300019672380	1	38	-1.0	-53.84	324.20	0.07	-53.77
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300019672381	0	48	-1.0	-56.12	379.50	0.26	-55.86
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300019672381	1	48	-1.0	-56.11	379.55	0.27	-55.84
CC(=O)NC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300019672382	0	36	-1.0	-55.71	304.08	2.21	-53.50
CC(=O)NC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300019672382	1	36	-1.0	-55.75	304.02	2.19	-53.56
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672383	0	50	-1.0	-52.76	381.49	6.11	-46.65
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672383	1	50	-1.0	-52.76	381.55	6.12	-46.64
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672384	0	39	-1.0	-57.04	329.30	6.65	-50.39
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672384	1	39	-1.0	-57.00	329.24	6.62	-50.38
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCC1C1=NN=N[N-]1	REAL300019672385	0	33	-1.0	-52.47	285.38	5.01	-47.46
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCC1C1=N[N-]N=N1	REAL300019672385	1	33	-1.0	-52.46	285.32	5.00	-47.46
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCCC1C1=N[N-]N=N1	REAL300019672386	0	37	-1.0	-59.28	332.53	5.34	-53.94
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCCC1C1=NN=N[N-]1	REAL300019672386	1	37	-1.0	-59.26	332.58	5.37	-53.89
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672387	0	38	-1.0	-56.69	329.55	3.84	-52.85
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672387	1	38	-1.0	-56.73	329.61	3.87	-52.86
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCCC1C1=N[N-]N=N1	REAL300019672388	0	41	-1.0	-62.40	334.49	0.06	-62.34
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCCC1C1=NN=N[N-]1	REAL300019672388	1	41	-1.0	-62.35	334.55	0.08	-62.27
NC1=C2N=CN(CCC(=O)N3CCCC3C3=NN=N[N-]3)C2=NC=N1	REAL300019672389	0	39	-1.0	-56.18	332.79	4.05	-52.13
NC1=C2N=CN(CCC(=O)N3CCCC3C3=N[N-]N=N3)C2=NC=N1	REAL300019672389	1	39	-1.0	-56.18	332.73	4.03	-52.15
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019672390	0	35	-1.0	-54.72	310.88	0.07	-54.65
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019672390	1	35	-1.0	-54.74	310.94	0.08	-54.66
O=C(C1=CNN=C1I)N1CCCC1C1=N[N-]N=N1	REAL300019672391	0	27	-1.0	-54.49	256.20	0.93	-53.56
O=C(C1=CNN=C1I)N1CCCC1C1=NN=N[N-]1	REAL300019672391	1	27	-1.0	-54.45	256.26	0.94	-53.51
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300019672392	0	33	-1.0	-53.36	296.67	-1.35	-54.71
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300019672392	1	33	-1.0	-53.39	296.73	-1.33	-54.72
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672393	0	52	-1.0	-53.32	394.22	2.33	-50.99
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672393	1	52	-1.0	-53.34	394.28	2.36	-50.98
C#CCN(CC(=O)N1CCCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019672394	0	45	-1.0	-63.69	368.71	5.13	-58.56
C#CCN(CC(=O)N1CCCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019672394	1	45	-1.0	-63.72	368.76	5.16	-58.56
CC1=CC=C(C(=O)C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672395	0	39	-1.0	-50.54	332.14	5.72	-44.82
CC1=CC=C(C(=O)C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672395	1	39	-1.0	-50.59	332.20	5.75	-44.84
O=C(C1=CC=C2NC=NC2=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019672396	0	33	-1.0	-66.64	282.63	3.25	-63.39
O=C(C1=CC=C2NC=NC2=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019672396	1	33	-1.0	-66.65	282.68	3.26	-63.39
NC1=NN=NN1C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672397	0	37	-1.0	-58.57	311.83	3.48	-55.09
NC1=NN=NN1C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672397	1	37	-1.0	-58.63	311.77	3.45	-55.18
CCN1C(C(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1Br	REAL300019672398	0	33	-1.0	-49.05	291.86	3.39	-45.66
CCN1C(C(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1Br	REAL300019672398	1	33	-1.0	-48.99	291.80	3.38	-45.61
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCCC1C1=N[N-]N=N1	REAL300019672399	0	33	-1.0	-39.89	283.95	0.98	-38.91
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCCC1C1=NN=N[N-]1	REAL300019672399	1	33	-1.0	-39.88	284.03	0.98	-38.90
O=C(NC(CO)C(=O)N1CCCC1C1=N[N-]N=N1)OCC1=CC=CC=C1	REAL300019672400	0	45	-1.0	-54.54	379.79	0.10	-54.44
O=C(NC(CO)C(=O)N1CCCC1C1=NN=N[N-]1)OCC1=CC=CC=C1	REAL300019672400	1	45	-1.0	-54.57	379.85	0.12	-54.45
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672401	0	33	-1.0	-48.72	307.06	4.98	-43.74
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672401	1	33	-1.0	-48.70	307.01	4.96	-43.74
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCCC1C1=N[N-]N=N1)=NO2	REAL300019672402	0	49	-1.0	-49.75	395.63	2.92	-46.83
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCCC1C1=NN=N[N-]1)=NO2	REAL300019672402	1	49	-1.0	-49.76	395.69	2.95	-46.81
CN1N=C(I)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672403	0	30	-1.0	-47.11	278.53	2.35	-44.76
CN1N=C(I)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672403	1	30	-1.0	-47.11	278.47	2.34	-44.77
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019672404	0	53	-1.0	-56.60	406.27	3.89	-52.71
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019672404	1	53	-1.0	-56.64	406.32	3.90	-52.74
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672405	0	34	-1.0	-50.18	299.53	4.43	-45.75
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672405	1	34	-1.0	-50.15	299.59	4.45	-45.70
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672406	0	40	-1.0	-56.20	353.13	4.55	-51.65
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672406	1	40	-1.0	-56.22	353.07	4.53	-51.69
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC3C3=N[N-]N=N3)=C(CCO)C2=O)=N1	REAL300019672407	0	48	-2.0	-114.44	405.66	3.04	-111.40
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC3C3=NN=N[N-]3)=C(CCO)C2=O)=N1	REAL300019672407	1	48	-2.0	-114.42	405.72	3.06	-111.36
O=CC1=CNC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C12	REAL300019672408	0	36	-1.0	-66.40	304.11	3.33	-63.07
O=CC1=CNC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C12	REAL300019672408	1	36	-1.0	-66.41	304.16	3.35	-63.06
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL300019672409	0	49	-1.0	-53.80	402.18	8.17	-45.63
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL300019672409	1	49	-1.0	-53.81	402.23	8.19	-45.62
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672410	0	46	-1.0	-61.52	378.19	7.13	-54.39
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672410	1	46	-1.0	-61.53	378.26	7.15	-54.38
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672411	0	49	-1.0	-58.27	407.37	8.42	-49.85
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672411	1	49	-1.0	-58.26	407.43	8.44	-49.82
O=CC1=CC(Br)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672412	0	32	-1.0	-53.10	295.32	3.87	-49.23
O=CC1=CC(Br)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672412	1	32	-1.0	-53.06	295.37	3.89	-49.17
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672413	0	37	-1.0	-51.87	309.57	-0.92	-52.79
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672413	1	37	-1.0	-51.86	309.51	-0.94	-52.80
O=CC1=CN=C2C(Br)=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN12	REAL300019672414	0	35	-1.0	-47.48	330.58	4.53	-42.95
O=CC1=CN=C2C(Br)=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN12	REAL300019672414	1	35	-1.0	-47.48	330.53	4.51	-42.97
O=C(C1=CN=C2SC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672415	0	32	-1.0	-45.81	277.16	2.43	-43.38
O=C(C1=CN=C2SC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672415	1	32	-1.0	-45.79	277.10	2.43	-43.36
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCC1C1=NN=N[N-]1	REAL300019672416	0	32	-1.0	-50.79	294.54	3.11	-47.68
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCC1C1=N[N-]N=N1	REAL300019672416	1	32	-1.0	-50.81	294.48	3.09	-47.72
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC1C1=N[N-]N=N1	REAL300019672417	0	44	-1.0	-62.21	369.47	3.06	-59.15
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC1C1=NN=N[N-]1	REAL300019672417	1	44	-1.0	-62.18	369.52	3.08	-59.10
O=C(C1=COC(C(F)(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672418	0	29	-1.0	-46.19	272.14	0.51	-45.68
O=C(C1=COC(C(F)(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672418	1	29	-1.0	-46.15	272.08	0.48	-45.67
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672419	0	32	-1.0	-53.31	299.10	3.59	-49.72
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672419	1	32	-1.0	-53.30	299.04	3.56	-49.74
COC1=CC=C(C=O)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672420	0	36	-1.0	-43.11	295.07	3.40	-39.71
COC1=CC=C(C=O)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672420	1	36	-1.0	-43.13	295.10	3.40	-39.73
CS(=O)(=O)N1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672421	0	35	-1.0	-52.72	305.15	-1.06	-53.78
CS(=O)(=O)N1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672421	1	35	-1.0	-52.72	305.20	-1.04	-53.76
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672422	0	40	-1.0	-51.78	340.24	7.01	-44.77
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672422	1	40	-1.0	-51.82	340.29	7.04	-44.78
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672423	0	43	-1.0	-53.49	359.82	6.03	-47.46
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672423	1	43	-1.0	-53.52	359.76	6.00	-47.52
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCCC4C4=N[N-]N=N4)O3)C2=NC=N1	REAL300019672424	0	47	-1.0	-62.77	386.18	5.22	-57.55
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCCC4C4=NN=N[N-]4)O3)C2=NC=N1	REAL300019672424	1	47	-1.0	-62.79	386.24	5.25	-57.54
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672425	0	42	-1.0	-47.93	357.98	3.19	-44.74
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672425	1	42	-1.0	-47.94	358.04	3.21	-44.73
CC1=NC(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)S2)=CS1	REAL300019672426	0	36	-1.0	-54.10	330.13	4.16	-49.94
CC1=NC(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)S2)=CS1	REAL300019672426	1	36	-1.0	-54.09	330.07	4.14	-49.95
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672427	0	46	-1.0	-54.98	384.20	6.23	-48.75
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672427	1	46	-1.0	-55.00	384.26	6.26	-48.74
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCC1C1=N[N-]N=N1	REAL300019672428	0	44	-1.0	-61.15	353.17	6.66	-54.49
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCC1C1=NN=N[N-]1	REAL300019672428	1	44	-1.0	-61.15	353.22	6.68	-54.47
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCC1C1=N[N-]N=N1	REAL300019672429	0	42	-1.0	-64.07	345.63	0.61	-63.46
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCC1C1=NN=N[N-]1	REAL300019672429	1	42	-1.0	-64.08	345.68	0.63	-63.45
COC(=O)C1=NN(C)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672430	0	36	-1.0	-48.25	307.09	1.98	-46.27
COC(=O)C1=NN(C)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672430	1	36	-1.0	-48.20	307.03	1.96	-46.24
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)C[C@H]1C	REAL300019672431	0	40	-1.0	-58.70	328.73	3.99	-54.71
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)C[C@H]1C	REAL300019672431	1	40	-1.0	-58.73	328.79	4.01	-54.72
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672432	0	51	-1.0	-43.16	392.67	7.43	-35.73
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672432	1	51	-1.0	-43.13	392.74	7.44	-35.69
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672433	0	46	-1.0	-45.41	366.01	4.90	-40.51
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672433	1	46	-1.0	-45.41	366.07	4.90	-40.51
COC1=CC=C(NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C(OC)=C1	REAL300019672434	0	50	-1.0	-43.62	391.42	4.11	-39.51
COC1=CC=C(NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C(OC)=C1	REAL300019672434	1	50	-1.0	-43.59	391.45	4.11	-39.48
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019672435	0	54	-1.0	-43.47	399.75	8.30	-35.17
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019672435	1	54	-1.0	-43.49	399.80	8.31	-35.18
O=C(C=CC1=CC=C(Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL300019672436	0	31	-1.0	-50.62	295.37	4.86	-45.76
O=C(C=CC1=CC=C(Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL300019672436	1	31	-1.0	-50.62	295.43	4.88	-45.74
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300019672437	0	38	-1.0	-57.45	333.06	5.01	-52.44
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300019672437	1	38	-1.0	-57.46	333.12	5.03	-52.43
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672438	0	41	-1.0	-55.51	329.72	2.82	-52.69
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672438	1	41	-1.0	-55.52	329.66	2.80	-52.72
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCC1C1=N[N-]N=N1)OC2=O	REAL300019672439	0	43	-1.0	-53.81	328.93	4.16	-49.65
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCC1C1=NN=N[N-]1)OC2=O	REAL300019672439	1	43	-1.0	-53.80	328.99	4.17	-49.63
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCCC1C1=N[N-]N=N1	REAL300019672440	0	38	-1.0	-53.41	325.57	7.00	-46.41
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCCC1C1=NN=N[N-]1	REAL300019672440	1	38	-1.0	-53.43	325.63	7.02	-46.41
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300019672441	0	40	-1.0	-52.22	330.49	6.24	-45.98
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300019672441	1	40	-1.0	-52.24	330.55	6.25	-45.99
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019672442	0	38	-1.0	-65.07	310.45	1.96	-63.11
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019672442	1	38	-1.0	-65.08	310.50	1.99	-63.09
CC1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=C1C(F)(F)F	REAL300019672443	0	36	-1.0	-58.89	317.90	3.59	-55.30
CC1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=C1C(F)(F)F	REAL300019672443	1	36	-1.0	-58.85	317.85	3.56	-55.29
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672444	0	44	-1.0	-52.93	349.69	-1.92	-54.85
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672444	1	44	-1.0	-52.97	349.74	-1.90	-54.87
COC1=CC(CO)=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672445	0	38	-1.0	-46.92	305.26	0.96	-45.96
COC1=CC(CO)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672445	1	38	-1.0	-46.94	305.32	0.97	-45.97
O=C(CC1CCN(CC(F)F)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019672446	0	44	-1.0	-52.73	344.49	3.59	-49.14
O=C(CC1CCN(CC(F)F)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019672446	1	44	-1.0	-52.74	344.55	3.61	-49.13
COC1=CC(OC)=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C=O	REAL300019672447	0	40	-1.0	-50.35	320.07	2.97	-47.38
COC1=CC(OC)=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C=O	REAL300019672447	1	40	-1.0	-50.32	320.12	2.97	-47.35
NC1=C2N=CN(CCCC(=O)N3CCCC3C3=NN=N[N-]3)C2=NC=N1	REAL300019672448	0	42	-1.0	-61.29	354.28	4.86	-56.43
NC1=C2N=CN(CCCC(=O)N3CCCC3C3=N[N-]N=N3)C2=NC=N1	REAL300019672448	1	42	-1.0	-61.29	354.23	4.83	-56.46
NC1=C2N=CN(CCCCC(=O)N3CCCC3C3=N[N-]N=N3)C2=NC=N1	REAL300019672449	0	45	-1.0	-58.94	375.72	5.61	-53.33
NC1=C2N=CN(CCCCC(=O)N3CCCC3C3=NN=N[N-]3)C2=NC=N1	REAL300019672449	1	45	-1.0	-58.97	375.78	5.64	-53.33
O=C(CC(O)COCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672450	0	44	-1.0	-61.00	366.05	3.35	-57.65
O=C(CC(O)COCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672450	1	44	-1.0	-61.01	366.11	3.38	-57.63
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019672451	0	41	-1.0	-57.16	343.16	4.90	-52.26
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019672451	1	41	-1.0	-57.19	343.22	4.93	-52.26
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672452	0	50	-1.0	-52.62	386.13	4.79	-47.83
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672452	1	50	-1.0	-52.64	386.18	4.82	-47.82
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672453	0	36	-1.0	-56.13	319.39	5.79	-50.34
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672453	1	36	-1.0	-56.12	319.33	5.77	-50.35
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672454	0	40	-1.0	-71.77	331.28	1.86	-69.91
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672454	1	40	-1.0	-71.76	331.34	1.89	-69.87
CC1CCC2=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN2C1	REAL300019672455	0	40	-1.0	-55.84	319.64	5.16	-50.68
CC1CCC2=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN2C1	REAL300019672455	1	40	-1.0	-55.83	319.70	5.19	-50.64
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672456	0	44	-1.0	-55.89	362.39	8.56	-47.33
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672456	1	44	-1.0	-55.90	362.45	8.59	-47.31
O=C(C1=CC(N2CCCC2=O)=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672457	0	40	-1.0	-59.31	322.84	2.90	-56.41
O=C(C1=CC(N2CCCC2=O)=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672457	1	40	-1.0	-59.28	322.78	2.87	-56.41
NC(=O)C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019672458	0	36	-1.0	-56.39	311.10	-0.25	-56.64
NC(=O)C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019672458	1	36	-1.0	-56.36	311.04	-0.28	-56.64
CC1=C(C)C(=O)N(CCC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300019672459	0	40	-1.0	-56.86	342.16	3.30	-53.56
CC1=C(C)C(=O)N(CCC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300019672459	1	40	-1.0	-56.93	342.22	3.32	-53.61
O=C(C1CC2CSCC(C1)C2=O)N1CCCC1C1=N[N-]N=N1	REAL300019672460	0	40	-1.0	-56.36	310.84	3.89	-52.47
O=C(C1CC2CSCC(C1)C2=O)N1CCCC1C1=NN=N[N-]1	REAL300019672460	1	40	-1.0	-56.33	310.89	3.91	-52.42
CCOC(=O)C1CCCN(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019672461	0	47	-1.0	-62.28	371.99	3.62	-58.66
CCOC(=O)C1CCCN(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672461	1	47	-1.0	-62.29	372.05	3.65	-58.64
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672461	1	48	0.0	-58.31	365.73	5.34	-52.97
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672461	1	48	0.0	-58.05	373.19	5.79	-52.26
CCC(C)C(C(=O)N1CCCC1C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300019672462	0	45	-1.0	-51.09	341.04	5.02	-46.07
CCC(C)C(C(=O)N1CCCC1C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300019672462	1	45	-1.0	-51.11	341.11	5.03	-46.08
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019672463	0	50	0.0	-76.02	362.22	4.36	-71.66
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019672463	1	50	0.0	-76.02	362.27	4.39	-71.63
O=C(C1CCC(N2CCOCC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019672463	1	49	-1.0	-52.51	361.00	2.09	-50.42
O=C(C1CCC(N2CCOCC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019672463	1	49	-1.0	-52.53	361.05	2.10	-50.43
O=CC1=CC(F)=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300019672464	0	32	-1.0	-39.80	278.35	2.93	-36.87
O=CC1=CC(F)=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300019672464	1	32	-1.0	-39.79	278.41	2.92	-36.87
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672465	0	51	-1.0	-67.13	409.72	7.02	-60.11
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672465	1	51	-1.0	-67.11	409.77	7.04	-60.07
CN1CCOC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300019672466	0	40	-1.0	-52.06	316.83	2.20	-49.86
CN1CCOC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300019672466	1	40	-1.0	-52.04	316.89	2.22	-49.82
CC1CCN2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=C2C1	REAL300019672467	0	40	-1.0	-55.87	319.64	5.19	-50.68
CC1CCN2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=C2C1	REAL300019672467	1	40	-1.0	-55.88	319.69	5.21	-50.67
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCC1C1=N[N-]N=N1	REAL300019674202	0	31	-1.0	-51.27	285.64	2.75	-48.52
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCC1C1=NN=N[N-]1	REAL300019674202	1	31	-1.0	-51.28	285.70	2.77	-48.51
CC(C)C1=CNC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300019674203	0	42	-1.0	-69.98	341.41	4.44	-65.54
CC(C)C1=CNC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300019674203	1	42	-1.0	-69.97	341.47	4.47	-65.50
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCCC1C1=N[N-]N=N1	REAL300019674204	0	36	-1.0	-54.08	322.95	3.81	-50.27
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCCC1C1=NN=N[N-]1	REAL300019674204	1	36	-1.0	-54.05	323.00	3.83	-50.22
O=C(C1=C(Br)SC2=C1SN=N2)N1CCCC1C1=NN=N[N-]1	REAL300019674205	0	28	-1.0	-48.04	295.73	2.42	-45.62
O=C(C1=C(Br)SC2=C1SN=N2)N1CCCC1C1=N[N-]N=N1	REAL300019674205	1	28	-1.0	-48.04	295.68	2.40	-45.64
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300019674206	0	32	-1.0	-71.04	297.49	3.03	-68.01
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300019674206	1	32	-1.0	-71.04	297.55	3.06	-67.98
CC(C)(C)OC(=O)NC1CCCN(CC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300019674207	0	54	-1.0	-76.15	423.24	2.87	-73.28
CC(C)(C)OC(=O)NC1CCCN(CC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300019674207	1	54	-1.0	-76.20	423.30	2.90	-73.30
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C2(CCCC2)C1	REAL300019674208	0	57	-1.0	-58.12	425.46	6.30	-51.82
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C2(CCCC2)C1	REAL300019674208	1	57	-1.0	-58.11	425.52	6.33	-51.78
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674209	0	53	-1.0	-49.22	411.85	2.02	-47.20
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674209	1	53	-1.0	-49.22	411.90	2.03	-47.19
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300019674210	0	54	-1.0	-58.93	413.80	6.93	-52.00
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300019674210	1	54	-1.0	-58.91	413.85	6.94	-51.97
C#CCC1(C(=O)N2CCCC2C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019674211	0	52	-1.0	-64.20	402.53	5.08	-59.12
C#CCC1(C(=O)N2CCCC2C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019674211	1	52	-1.0	-64.21	402.59	5.10	-59.11
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674212	0	52	-1.0	-56.84	400.09	5.40	-51.44
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674212	1	52	-1.0	-56.86	400.14	5.42	-51.44
CCOC1=CC(Br)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1N	REAL300019674213	0	39	-1.0	-49.04	335.41	2.61	-46.43
CCOC1=CC(Br)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1N	REAL300019674213	1	39	-1.0	-49.02	335.47	2.62	-46.40
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674214	0	54	-1.0	-48.45	407.43	5.19	-43.26
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674214	1	54	-1.0	-48.41	407.48	5.20	-43.21
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019674215	0	37	-1.0	-57.84	325.38	6.48	-51.36
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019674215	1	37	-1.0	-57.84	325.44	6.51	-51.33
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674216	0	50	-1.0	-51.03	396.73	1.87	-49.16
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674216	1	50	-1.0	-51.03	396.78	1.89	-49.14
C=CCN(CCC(=O)N1CCCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019674217	0	50	-1.0	-52.34	400.27	5.63	-46.71
C=CCN(CCC(=O)N1CCCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019674217	1	50	-1.0	-52.36	400.33	5.65	-46.71
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674218	0	53	-1.0	-62.20	406.94	4.46	-57.74
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674218	1	53	-1.0	-62.25	406.99	4.48	-57.77
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL300019674219	0	39	-1.0	-53.66	313.85	6.40	-47.26
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL300019674219	1	39	-1.0	-53.64	313.79	6.38	-47.26
COC1=CC=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019674220	0	39	-1.0	-53.31	327.07	2.22	-51.09
COC1=CC=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019674220	1	39	-1.0	-53.32	327.13	2.25	-51.07
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C2=C1CCOC2	REAL300019674221	0	38	-1.0	-58.35	308.85	1.93	-56.42
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C2=C1CCOC2	REAL300019674221	1	38	-1.0	-58.35	308.91	1.95	-56.40
CN1C(C(=O)N2CCCC2C2=NN=N[N-]2)=CC2=C1C=CS2	REAL300019674222	0	34	-1.0	-52.27	290.99	4.26	-48.01
CN1C(C(=O)N2CCCC2C2=N[N-]N=N2)=CC2=C1C=CS2	REAL300019674222	1	34	-1.0	-52.26	290.93	4.25	-48.01
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1CC(F)F	REAL300019674223	0	36	-1.0	-52.46	304.45	2.90	-49.56
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1CC(F)F	REAL300019674223	1	36	-1.0	-52.44	304.51	2.92	-49.52
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1CCC1	REAL300019674224	0	40	-1.0	-53.25	317.79	4.03	-49.22
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1CCC1	REAL300019674224	1	40	-1.0	-53.25	317.85	4.04	-49.21
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CO1	REAL300019674225	0	51	-1.0	-58.22	399.37	1.44	-56.78
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CO1	REAL300019674225	1	51	-1.0	-58.25	399.42	1.46	-56.79
NC1=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C(Br)C=C1[N+](=O)[O-]	REAL300019674226	0	37	-1.0	-55.42	337.52	3.89	-51.53
NC1=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C(Br)C=C1[N+](=O)[O-]	REAL300019674226	1	37	-1.0	-55.45	337.58	3.91	-51.54
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674227	0	50	-1.0	-49.58	387.97	1.15	-48.43
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674227	1	50	-1.0	-49.60	387.91	1.12	-48.48
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019674228	0	53	-1.0	-58.92	404.43	5.58	-53.34
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019674228	1	53	-1.0	-58.94	404.49	5.61	-53.33
COC1(C(=O)N2CCCC2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019674229	0	48	-1.0	-54.91	379.96	2.21	-52.70
COC1(C(=O)N2CCCC2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019674229	1	48	-1.0	-54.93	380.01	2.22	-52.71
CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CC2(CCC2)C1	REAL300019674230	0	57	-1.0	-48.78	429.10	4.96	-43.82
CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300019674230	1	57	-1.0	-48.82	429.16	4.97	-43.85
CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C1=N[N-]N=N1)C1CC(C)(C)C1	REAL300019674231	0	56	-1.0	-50.59	422.49	5.27	-45.32
CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C1=NN=N[N-]1)C1CC(C)(C)C1	REAL300019674231	1	56	-1.0	-50.62	422.55	5.30	-45.32
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674232	0	57	-1.0	-56.06	424.66	4.56	-51.50
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674232	1	57	-1.0	-56.05	424.72	4.58	-51.47
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674233	0	54	-1.0	-62.91	403.24	1.76	-61.15
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674233	1	54	-1.0	-62.92	403.30	1.77	-61.15
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C2C1C2(F)F	REAL300019674234	0	51	-1.0	-55.54	392.04	5.14	-50.40
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C2C1C2(F)F	REAL300019674234	1	51	-1.0	-55.52	392.10	5.17	-50.35
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019674235	0	56	-1.0	-52.86	412.66	4.23	-48.63
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019674235	1	56	-1.0	-52.87	412.72	4.26	-48.61
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019674236	0	46	-1.0	-57.15	382.83	3.51	-53.64
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019674236	1	46	-1.0	-57.19	382.89	3.54	-53.65
COC1=NN(C)C(Br)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674237	0	34	-1.0	-52.44	315.20	0.09	-52.35
COC1=NN(C)C(Br)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674237	1	34	-1.0	-52.44	315.15	0.07	-52.37
CC(=O)NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300019674238	0	37	-1.0	-49.20	304.67	2.13	-47.07
CC(=O)NC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300019674238	1	37	-1.0	-49.21	304.73	2.14	-47.07
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674239	0	54	-1.0	-55.45	419.14	2.25	-53.20
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674239	1	54	-1.0	-55.42	419.20	2.27	-53.15
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCC1C1=N[N-]N=N1	REAL300019674240	0	33	-1.0	-53.87	300.88	3.88	-49.99
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCC1C1=NN=N[N-]1	REAL300019674240	1	33	-1.0	-53.86	300.94	3.90	-49.96
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL300019674241	0	43	-1.0	-69.42	363.44	3.12	-66.30
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL300019674241	1	43	-1.0	-69.43	363.50	3.14	-66.29
CC1=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)SC2=C(C)S1	REAL300019674242	0	36	-1.0	-53.50	324.05	5.60	-47.90
CC1=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)SC2=C(C)S1	REAL300019674242	1	36	-1.0	-53.49	324.10	5.62	-47.87
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674243	0	33	-1.0	-52.66	320.04	5.99	-46.67
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674243	1	33	-1.0	-52.65	320.08	6.01	-46.64
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300019674244	0	42	-1.0	-65.38	326.43	1.06	-64.32
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300019674244	1	42	-1.0	-65.34	326.49	1.09	-64.25
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019674245	0	37	-1.0	-54.11	318.91	6.18	-47.93
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019674245	1	37	-1.0	-54.09	318.97	6.21	-47.88
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCCC1C1=N[N-]N=N1)C3=O	REAL300019674246	0	46	-1.0	-63.13	375.44	6.74	-56.39
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCCC1C1=NN=N[N-]1)C3=O	REAL300019674246	1	46	-1.0	-63.12	375.50	6.75	-56.37
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300019674247	0	44	-1.0	-63.39	363.51	5.65	-57.74
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300019674247	1	44	-1.0	-63.40	363.57	5.66	-57.74
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCC1C1=N[N-]N=N1	REAL300019674248	0	38	-1.0	-65.92	325.94	4.58	-61.34
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCC1C1=NN=N[N-]1	REAL300019674248	1	38	-1.0	-65.90	325.99	4.59	-61.31
COC1=CC2=NC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2C=C1	REAL300019674249	0	39	-1.0	-52.41	319.57	3.23	-49.18
COC1=CC2=NC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2C=C1	REAL300019674249	1	39	-1.0	-52.45	319.51	3.21	-49.24
CCSC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019674250	0	43	-1.0	-52.11	343.58	6.01	-46.10
CCSC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019674250	1	43	-1.0	-52.11	343.64	6.03	-46.08
CC1=CC(CCC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=N1	REAL300019674251	0	41	-1.0	-51.71	338.82	4.92	-46.79
CC1=CC(CCC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=N1	REAL300019674251	1	41	-1.0	-51.72	338.88	4.94	-46.78
CC1=CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019674252	0	39	-1.0	-43.32	311.66	5.91	-37.41
CC1=CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019674252	1	39	-1.0	-43.32	311.61	5.92	-37.40
O=C(C1=CSC(Cl)=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019674253	0	27	-1.0	-52.55	273.91	3.68	-48.87
O=C(C1=CSC(Cl)=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019674253	1	27	-1.0	-52.55	273.97	3.70	-48.85
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674254	0	42	-1.0	-65.68	343.05	2.99	-62.69
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674254	1	42	-1.0	-65.69	343.11	3.01	-62.68
CC1=NN(C2CCC2)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674255	0	40	-1.0	-53.92	320.60	3.95	-49.97
CC1=NN(C2CCC2)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674255	1	40	-1.0	-53.96	320.66	3.96	-50.00
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674256	0	37	-1.0	-53.37	317.15	4.86	-48.51
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674256	1	37	-1.0	-53.37	317.10	4.83	-48.54
O=C(C1=CNC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019674257	0	28	-1.0	-58.42	259.48	2.12	-56.30
O=C(C1=CNC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019674257	1	28	-1.0	-58.44	259.54	2.14	-56.30
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674258	0	40	-1.0	-63.78	352.48	3.62	-60.16
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674258	1	40	-1.0	-63.82	352.54	3.65	-60.17
O=C(C1CC(OC(F)(F)F)C1)N1CCCC1C1=N[N-]N=N1	REAL300019674259	0	34	-1.0	-49.30	297.61	2.49	-46.81
O=C(C1CC(OC(F)(F)F)C1)N1CCCC1C1=NN=N[N-]1	REAL300019674259	1	34	-1.0	-49.31	297.67	2.52	-46.79
CS(=O)(=O)C1=COC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674260	0	33	-1.0	-61.80	298.92	-0.51	-62.31
CS(=O)(=O)C1=COC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674260	1	33	-1.0	-61.84	298.97	-0.48	-62.32
O=C(CC1=CC=C2COCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674261	0	41	-1.0	-54.87	332.93	4.77	-50.10
O=C(CC1=CC=C2COCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674261	1	41	-1.0	-54.88	332.99	4.80	-50.08
O=C(CC1=CC=C2CCOCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674262	0	41	-1.0	-53.67	332.88	4.74	-48.93
O=C(CC1=CC=C2CCOCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674262	1	41	-1.0	-53.66	332.94	4.76	-48.90
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674263	0	39	-1.0	-50.87	326.50	5.20	-45.67
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674263	1	39	-1.0	-50.92	326.44	5.18	-45.74
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300019674264	0	32	-1.0	-49.66	288.21	3.84	-45.82
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300019674264	1	32	-1.0	-49.66	288.27	3.86	-45.80
COC1=CC(Br)=CN=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674265	0	33	-1.0	-54.09	297.38	3.92	-50.17
COC1=CC(Br)=CN=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674265	1	33	-1.0	-54.12	297.32	3.89	-50.23
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCCC1C1=N[N-]N=N1	REAL300019674266	0	39	-1.0	-60.96	333.95	1.19	-59.77
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCCC1C1=NN=N[N-]1	REAL300019674266	1	39	-1.0	-60.98	334.01	1.21	-59.77
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674267	0	37	-1.0	-55.28	315.25	4.81	-50.47
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674267	1	37	-1.0	-55.24	315.31	4.84	-50.40
CCC1=CC=C(N2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=N2)C=C1	REAL300019674268	0	42	-1.0	-50.43	351.77	5.35	-45.08
CCC1=CC=C(N2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=N2)C=C1	REAL300019674268	1	42	-1.0	-50.43	351.71	5.32	-45.11
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019674269	0	45	-1.0	-55.91	381.90	3.01	-52.90
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019674269	1	45	-1.0	-55.92	381.95	3.03	-52.89
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674270	0	45	-1.0	-58.63	380.74	3.00	-55.63
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674270	1	45	-1.0	-58.62	380.80	3.02	-55.60
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674271	0	35	-2.0	-88.14	315.37	2.22	-85.92
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674271	1	35	-2.0	-88.14	315.42	2.24	-85.90
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300019674272	0	40	-1.0	-56.77	355.03	6.22	-50.55
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300019674272	1	40	-1.0	-56.75	354.98	6.20	-50.55
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674273	0	51	-1.0	-52.64	386.37	8.62	-44.02
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674273	1	51	-1.0	-52.62	386.41	8.64	-43.98
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674274	0	41	-1.0	-49.30	336.67	5.36	-43.94
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674274	1	41	-1.0	-49.28	336.73	5.38	-43.90
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674275	0	38	-1.0	-40.83	318.93	3.14	-37.69
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674275	1	38	-1.0	-40.89	318.99	3.14	-37.75
CC1(C)CCC(=O)C2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300019674276	0	45	-1.0	-56.89	349.18	5.96	-50.93
CC1(C)CCC(=O)C2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300019674276	1	45	-1.0	-56.90	349.24	5.99	-50.91
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019674277	0	32	-1.0	-49.43	304.25	3.74	-45.69
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019674277	1	32	-1.0	-49.46	304.19	3.72	-45.74
O=C(C1CCC(=O)N(C2CC2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019674278	0	41	-1.0	-52.63	320.79	3.33	-49.30
O=C(C1CCC(=O)N(C2CC2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019674278	1	41	-1.0	-52.65	320.85	3.36	-49.29
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674279	0	46	-1.0	-54.53	363.23	3.50	-51.03
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674279	1	46	-1.0	-54.53	363.29	3.53	-51.00
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674280	0	43	-1.0	-59.20	351.64	5.14	-54.06
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674280	1	43	-1.0	-59.21	351.70	5.17	-54.04
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300019674281	0	37	-1.0	-54.75	327.89	6.46	-48.29
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300019674281	1	37	-1.0	-54.76	327.95	6.49	-48.27
N#CC1=CN=C(Cl)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674282	0	30	-1.0	-52.57	282.19	2.50	-50.07
N#CC1=CN=C(Cl)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674282	1	30	-1.0	-52.56	282.13	2.49	-50.07
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCCC1C1=N[N-]N=N1	REAL300019674283	0	40	-1.0	-50.93	328.98	3.18	-47.75
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCCC1C1=NN=N[N-]1	REAL300019674283	1	40	-1.0	-50.90	329.04	3.21	-47.69
CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300019674284	0	36	-1.0	-50.07	306.79	5.39	-44.68
CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300019674284	1	36	-1.0	-50.08	306.85	5.41	-44.67
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674285	0	44	-1.0	-50.39	346.25	3.53	-46.86
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674285	1	44	-1.0	-50.35	346.19	3.51	-46.84
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019674286	0	32	-1.0	-49.42	303.51	4.87	-44.55
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019674286	1	32	-1.0	-49.43	303.45	4.83	-44.60
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674287	0	33	-1.0	-42.51	289.91	4.08	-38.43
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674287	1	33	-1.0	-42.49	289.97	4.06	-38.43
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019674288	0	32	-1.0	-58.53	296.70	3.54	-54.99
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019674288	1	32	-1.0	-58.54	296.64	3.52	-55.02
N#CC1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300019674289	0	37	-1.0	-55.18	326.93	5.88	-49.30
N#CC1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300019674289	1	37	-1.0	-55.16	326.98	5.90	-49.26
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674290	0	36	-1.0	-41.09	300.35	0.39	-40.70
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674290	1	36	-1.0	-41.06	300.41	0.39	-40.67
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674291	0	38	-1.0	-52.36	318.57	5.58	-46.78
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674291	1	38	-1.0	-52.38	318.63	5.59	-46.79
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019674292	0	40	-1.0	-57.71	336.16	6.83	-50.88
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019674292	1	40	-1.0	-57.71	336.22	6.86	-50.85
COCCN1C=CC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300019674293	0	44	-1.0	-56.61	360.01	5.25	-51.36
COCCN1C=CC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300019674293	1	44	-1.0	-56.57	360.07	5.27	-51.30
CC(C)N1C=CC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300019674294	0	43	-1.0	-46.31	337.87	6.15	-40.16
CC(C)N1C=CC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300019674294	1	43	-1.0	-46.34	337.93	6.13	-40.21
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674295	0	37	-1.0	-55.45	314.32	3.83	-51.62
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674295	1	37	-1.0	-55.44	314.38	3.85	-51.59
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300019674296	0	37	-1.0	-55.76	360.72	6.94	-48.82
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300019674296	1	37	-1.0	-55.76	360.78	6.97	-48.79
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674297	0	35	-1.0	-55.84	311.45	4.58	-51.26
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674297	1	35	-1.0	-55.83	311.40	4.55	-51.28
C=CCOCC(C(=O)N1CCCC1C1=N[N-]N=N1)C(C)(C)C	REAL300019674298	0	46	-1.0	-48.85	346.43	5.08	-43.77
C=CCOCC(C(=O)N1CCCC1C1=NN=N[N-]1)C(C)(C)C	REAL300019674298	1	46	-1.0	-48.85	346.48	5.10	-43.75
CC12CCCN1S(=O)(=O)C(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300019674299	0	42	-1.0	-65.43	327.41	1.08	-64.35
CC12CCCN1S(=O)(=O)C(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300019674299	1	42	-1.0	-65.39	327.46	1.11	-64.28
CC1=NN(C2CCC2)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674300	0	40	-1.0	-51.61	317.50	4.29	-47.32
CC1=NN(C2CCC2)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674300	1	40	-1.0	-51.60	317.55	4.30	-47.30
O=C(C1=CC=NN1CCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300019674301	0	36	-1.0	-51.01	310.74	3.39	-47.62
O=C(C1=CC=NN1CCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300019674301	1	36	-1.0	-51.00	310.68	3.37	-47.63
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674302	0	41	-1.0	-55.14	351.00	5.90	-49.24
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674302	1	41	-1.0	-55.14	351.05	5.93	-49.21
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674303	0	36	-1.0	-46.47	325.93	2.88	-43.59
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674303	1	36	-1.0	-46.47	325.99	2.91	-43.56
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019674304	0	34	-1.0	-55.26	310.43	5.71	-49.55
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019674304	1	34	-1.0	-55.29	310.49	5.74	-49.55
CC(=O)NC(COC(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674305	0	43	-1.0	-56.72	343.81	1.84	-54.88
CC(=O)NC(COC(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674305	1	43	-1.0	-56.75	343.87	1.86	-54.89
CCCCOC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019674306	0	47	-1.0	-53.59	382.50	6.97	-46.62
CCCCOC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019674306	1	47	-1.0	-53.64	382.56	7.00	-46.64
COC1=CC2=CC=C(CC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019674307	0	43	-1.0	-56.26	354.70	6.22	-50.04
COC1=CC2=CC=C(CC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019674307	1	43	-1.0	-56.26	354.76	6.24	-50.02
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674308	0	48	-1.0	-50.99	350.44	7.51	-43.48
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674308	1	48	-1.0	-51.03	350.48	7.54	-43.49
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674309	0	30	-1.0	-36.50	283.90	3.95	-32.55
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674309	1	30	-1.0	-36.50	283.96	3.96	-32.54
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019674310	0	36	-1.0	-57.50	316.71	4.63	-52.87
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019674310	1	36	-1.0	-57.56	316.77	4.65	-52.91
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019674311	0	35	-1.0	-50.48	295.38	5.06	-45.42
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019674311	1	35	-1.0	-50.48	295.32	5.04	-45.44
COC(=O)C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019674312	0	39	-1.0	-54.15	338.82	4.01	-50.14
COC(=O)C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019674312	1	39	-1.0	-54.15	338.88	4.01	-50.14
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674313	0	39	-1.0	-51.52	335.06	6.17	-45.35
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674313	1	39	-1.0	-51.53	335.12	6.20	-45.33
CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300019674314	0	39	-1.0	-49.46	326.81	6.02	-43.44
CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300019674314	1	39	-1.0	-49.44	326.87	6.05	-43.39
CC(C)(C)N1C=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019674315	0	42	-1.0	-57.72	342.08	4.50	-53.22
CC(C)(C)N1C=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019674315	1	42	-1.0	-57.70	342.03	4.49	-53.21
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019674316	0	37	-1.0	-61.36	317.00	3.72	-57.64
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019674316	1	37	-1.0	-61.37	317.06	3.73	-57.64
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019674317	0	30	-2.0	-104.41	272.58	3.20	-101.21
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019674317	1	30	-2.0	-104.43	272.62	3.21	-101.22
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300019674318	0	38	-1.0	-57.69	331.66	2.83	-54.86
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300019674318	1	38	-1.0	-57.75	331.72	2.84	-54.91
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300019674319	0	39	-1.0	-55.45	344.00	4.79	-50.66
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300019674319	1	39	-1.0	-55.45	343.94	4.76	-50.69
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674320	0	33	-1.0	-49.71	299.30	3.92	-45.79
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674320	1	33	-1.0	-49.75	299.35	3.94	-45.81
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674321	0	40	-1.0	-45.84	321.65	4.07	-41.77
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674321	1	40	-1.0	-45.81	321.72	4.07	-41.74
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674322	0	42	-1.0	-53.00	352.62	2.36	-50.64
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674322	1	42	-1.0	-53.01	352.68	2.38	-50.63
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674323	0	43	-1.0	-55.43	362.98	6.20	-49.23
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674323	1	43	-1.0	-55.48	363.04	6.23	-49.25
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674324	0	51	-1.0	-59.86	398.65	3.72	-56.14
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674324	1	51	-1.0	-59.84	398.70	3.75	-56.09
CC1=NNC2=C1CC(C(=O)N1CCCC1C1=N[N-]N=N1)CC2	REAL300019674325	0	40	-1.0	-55.49	315.52	2.98	-52.51
CC1=NNC2=C1CC(C(=O)N1CCCC1C1=NN=N[N-]1)CC2	REAL300019674325	1	40	-1.0	-55.52	315.58	3.00	-52.52
CC1=C2CC(C(=O)N3CCCC3C3=N[N-]N=N3)CCC2=NN1	REAL300019674325	1	40	-1.0	-54.00	315.22	2.98	-51.02
O=C(C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674326	0	48	-1.0	-53.06	398.91	6.69	-46.37
O=C(C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674326	1	48	-1.0	-53.08	398.85	6.67	-46.41
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674327	0	41	-1.0	-54.12	339.09	3.85	-50.27
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674327	1	41	-1.0	-54.13	339.15	3.88	-50.25
CSC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019674328	0	36	-1.0	-48.15	315.10	5.13	-43.02
CSC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019674328	1	36	-1.0	-48.15	315.16	5.16	-42.99
NS(=O)(=O)C1=COC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674329	0	32	-1.0	-59.29	292.31	-3.08	-62.37
NS(=O)(=O)C1=COC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674329	1	32	-1.0	-59.26	292.37	-3.06	-62.32
N#CC1=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=NN2C=C1	REAL300019674330	0	34	-1.0	-57.72	301.46	3.76	-53.96
N#CC1=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=NN2C=C1	REAL300019674330	1	34	-1.0	-57.69	301.40	3.75	-53.94
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCC1C1=N[N-]N=N1	REAL300019674331	0	40	-1.0	-50.80	336.01	4.78	-46.02
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCC1C1=NN=N[N-]1	REAL300019674331	1	40	-1.0	-50.79	336.06	4.80	-45.99
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674332	0	44	-1.0	-63.88	354.81	2.69	-61.19
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674332	1	44	-1.0	-63.86	354.86	2.70	-61.16
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019674333	0	34	-1.0	-46.09	304.91	2.91	-43.18
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019674333	1	34	-1.0	-46.11	304.97	2.92	-43.19
C[C@@H]1CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)NN=C2[C@H](C)O1	REAL300019674334	0	41	-1.0	-51.04	326.69	2.00	-49.04
C[C@@H]1CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)NN=C2[C@H](C)O1	REAL300019674334	1	41	-1.0	-51.05	326.75	2.01	-49.04
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCC2C2=N[N-]N=N2)[C@H](C)O1	REAL300019674334	1	41	-1.0	-56.04	329.43	2.11	-53.93
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCC2C2=NN=N[N-]2)[C@H](C)O1	REAL300019674334	1	41	-1.0	-55.97	329.48	2.14	-53.83
O=C(CCC1=C(Br)C=CS1)N1CCCC1C1=N[N-]N=N1	REAL300019674335	0	33	-1.0	-51.74	310.32	5.11	-46.63
O=C(CCC1=C(Br)C=CS1)N1CCCC1C1=NN=N[N-]1	REAL300019674335	1	33	-1.0	-51.73	310.38	5.13	-46.60
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674336	0	36	-1.0	-60.46	322.58	4.79	-55.67
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674336	1	36	-1.0	-60.48	322.64	4.81	-55.67
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674336	1	36	-1.0	-57.42	322.46	4.78	-52.64
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674336	1	36	-1.0	-57.42	322.52	4.81	-52.61
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674337	0	51	-1.0	-61.40	385.64	6.57	-54.83
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674337	1	51	-1.0	-61.39	385.70	6.60	-54.79
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300019674338	0	38	-1.0	-70.39	323.88	5.35	-65.04
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300019674338	1	38	-1.0	-70.40	323.94	5.38	-65.02
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674339	0	37	-1.0	-40.83	306.46	5.31	-35.52
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674339	1	37	-1.0	-40.81	306.53	5.32	-35.49
O=C(CCCCCC(=O)N1CCCC1C1=N[N-]N=N1)NC1=CC=CC=C1	REAL300019674340	0	49	-1.0	-63.70	398.91	6.07	-57.63
O=C(CCCCCC(=O)N1CCCC1C1=NN=N[N-]1)NC1=CC=CC=C1	REAL300019674340	1	49	-1.0	-63.74	398.97	6.09	-57.65
O=C(C1=C2C=NSC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674341	0	32	-1.0	-54.56	280.80	3.61	-50.95
O=C(C1=C2C=NSC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674341	1	32	-1.0	-54.59	280.74	3.60	-50.99
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019674342	0	36	-1.0	-50.32	318.32	1.12	-49.20
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019674342	1	36	-1.0	-50.33	318.38	1.12	-49.21
NC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(F)C(Br)=C1F	REAL300019674343	0	32	-1.0	-44.67	295.64	2.39	-42.28
NC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(F)C(Br)=C1F	REAL300019674343	1	32	-1.0	-44.67	295.69	2.40	-42.27
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL300019674344	0	46	-1.0	-51.03	378.84	2.07	-48.96
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL300019674344	1	46	-1.0	-51.01	378.90	2.09	-48.92
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019674345	0	35	-1.0	-49.42	308.65	4.67	-44.75
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019674345	1	35	-1.0	-49.44	308.71	4.70	-44.74
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674346	0	52	-1.0	-58.24	409.09	1.25	-56.99
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674346	1	52	-1.0	-58.23	409.14	1.27	-56.96
CN(C)C1=CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019674347	0	44	-1.0	-55.69	350.07	6.20	-49.49
CN(C)C1=CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019674347	1	44	-1.0	-55.69	350.13	6.23	-49.46
COC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019674348	0	51	-1.0	-58.18	400.61	3.49	-54.69
COC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019674348	1	51	-1.0	-58.20	400.67	3.51	-54.69
C#CC1=CC=C(C2CC2C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019674349	0	39	-1.0	-53.66	333.48	7.17	-46.49
C#CC1=CC=C(C2CC2C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019674349	1	39	-1.0	-53.65	333.54	7.19	-46.46
CN1N=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300019674350	0	42	-1.0	-51.29	345.70	4.74	-46.55
CN1N=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300019674350	1	42	-1.0	-51.31	345.76	4.75	-46.56
COC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C(OC)=C1OC	REAL300019674351	0	46	-1.0	-59.31	382.06	4.44	-54.87
COC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C(OC)=C1OC	REAL300019674351	1	46	-1.0	-59.24	382.12	4.45	-54.79
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674352	0	35	-1.0	-66.08	288.96	0.36	-65.72
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674352	1	35	-1.0	-66.07	288.91	0.35	-65.72
CC=CC1=CC=C(OCC(=O)N2CCCC2C2=N[N-]N=N2)C(OC)=C1	REAL300019674353	0	45	-1.0	-61.54	370.17	6.32	-55.22
CC=CC1=CC=C(OCC(=O)N2CCCC2C2=NN=N[N-]2)C(OC)=C1	REAL300019674353	1	45	-1.0	-61.59	370.22	6.33	-55.26
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674354	0	54	-1.0	-58.46	415.17	3.81	-54.65
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674354	1	54	-1.0	-58.47	415.23	3.83	-54.64
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674355	0	54	-1.0	-54.77	396.42	5.12	-49.65
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674355	1	54	-1.0	-54.78	396.47	5.13	-49.65
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019674356	0	37	-1.0	-52.63	315.75	2.31	-50.32
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019674356	1	37	-1.0	-52.62	315.81	2.33	-50.29
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019674357	0	47	-1.0	-52.68	362.38	6.31	-46.37
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019674357	1	47	-1.0	-52.69	362.44	6.33	-46.36
CC1=NN=C(CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)O1	REAL300019674358	0	41	-1.0	-60.31	346.22	0.97	-59.34
CC1=NN=C(CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)O1	REAL300019674358	1	41	-1.0	-60.29	346.28	0.99	-59.30
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)CC1	REAL300019674359	0	57	-1.0	-54.38	427.59	6.51	-47.87
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)CC1	REAL300019674359	1	57	-1.0	-54.35	427.64	6.54	-47.81
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674360	0	36	-1.0	-57.42	316.18	6.32	-51.10
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674360	1	36	-1.0	-57.41	316.23	6.35	-51.06
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674361	0	42	-1.0	-51.34	355.52	7.58	-43.76
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674361	1	42	-1.0	-51.34	355.58	7.59	-43.75
CC1=CC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL300019674362	0	38	-1.0	-51.82	320.28	4.67	-47.15
CC1=CC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL300019674362	1	38	-1.0	-51.79	320.22	4.65	-47.14
CC(C)(C)OC1=CC(Br)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674363	0	43	-1.0	-51.50	354.09	5.29	-46.21
CC(C)(C)OC1=CC(Br)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674363	1	43	-1.0	-51.49	354.15	5.31	-46.18
CN1C=C(C2=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=CO2)C=N1	REAL300019674364	0	36	-1.0	-54.22	315.45	0.91	-53.31
CN1C=C(C2=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=CO2)C=N1	REAL300019674364	1	36	-1.0	-54.19	315.39	0.88	-53.31
COC1=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)NC2=C(C)C=C1	REAL300019674365	0	41	-1.0	-55.99	334.73	4.04	-51.95
COC1=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)NC2=C(C)C=C1	REAL300019674365	1	41	-1.0	-55.99	334.79	4.05	-51.94
CCCCOC1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019674366	0	46	-1.0	-54.03	373.68	6.46	-47.57
CCCCOC1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019674366	1	46	-1.0	-54.02	373.74	6.49	-47.53
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019674367	0	47	-1.0	-67.78	388.99	2.82	-64.96
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019674367	1	47	-1.0	-67.77	389.05	2.84	-64.93
COC1=NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019674368	0	39	-1.0	-54.59	324.12	2.44	-52.15
COC1=NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019674368	1	39	-1.0	-54.57	324.07	2.42	-52.15
CC1=CN2C(C(=O)N3CCCC3C3=NN=N[N-]3)=CN=C2S1	REAL300019674369	0	33	-1.0	-55.41	289.00	3.93	-51.48
CC1=CN2C(C(=O)N3CCCC3C3=N[N-]N=N3)=CN=C2S1	REAL300019674369	1	33	-1.0	-55.41	288.94	3.92	-51.49
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674370	0	40	-1.0	-51.59	348.61	4.96	-46.63
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674370	1	40	-1.0	-51.62	348.67	4.99	-46.63
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL300019674371	0	27	-1.0	-47.78	275.28	3.70	-44.08
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL300019674371	1	27	-1.0	-47.79	275.34	3.71	-44.08
CC(C)(C)C1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674372	0	41	-1.0	-54.85	325.35	5.10	-49.75
CC(C)(C)C1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674372	1	41	-1.0	-54.87	325.29	5.08	-49.79
COC1CC2(C1)CCC(C(=O)N1CCCC1C1=N[N-]N=N1)CC2	REAL300019674373	0	47	-1.0	-52.85	358.39	4.75	-48.10
COC1CC2(C1)CCC(C(=O)N1CCCC1C1=NN=N[N-]1)CC2	REAL300019674373	1	47	-1.0	-52.82	358.45	4.76	-48.06
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674374	0	48	-1.0	-53.94	380.08	8.08	-45.86
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674374	1	48	-1.0	-53.92	380.13	8.09	-45.83
CCC(C)(C)C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019674375	0	51	-1.0	-53.68	352.57	6.26	-47.42
CCC(C)(C)C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019674375	1	51	-1.0	-53.69	352.63	6.28	-47.41
CC1=CC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN=C2C=C1	REAL300019674376	0	38	-1.0	-54.28	313.36	4.61	-49.67
CC1=CC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CN=C2C=C1	REAL300019674376	1	38	-1.0	-54.29	313.30	4.58	-49.71
CN1C=C(C2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=NO2)N=N1	REAL300019674377	0	35	-1.0	-58.51	309.24	1.80	-56.71
CN1C=C(C2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=NO2)N=N1	REAL300019674377	1	35	-1.0	-58.52	309.30	1.82	-56.70
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019674378	0	42	-1.0	-54.56	328.39	4.89	-49.67
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019674378	1	42	-1.0	-54.57	328.45	4.91	-49.66
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674379	0	37	-1.0	-55.77	306.68	3.28	-52.49
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674379	1	37	-1.0	-55.73	306.74	3.31	-52.42
CCC(CCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674380	0	45	-1.0	-53.41	358.58	7.30	-46.11
CCC(CCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674380	1	45	-1.0	-53.41	358.64	7.32	-46.09
COC1(C(F)(F)C(=O)N2CCCC2C2=N[N-]N=N2)CCCC1	REAL300019674381	0	40	-1.0	-48.95	311.34	4.11	-44.84
COC1(C(F)(F)C(=O)N2CCCC2C2=NN=N[N-]2)CCCC1	REAL300019674381	1	40	-1.0	-48.99	311.40	4.13	-44.86
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674382	0	44	-1.0	-52.25	354.35	5.56	-46.69
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674382	1	44	-1.0	-52.29	354.41	5.59	-46.70
O=C(C1CC12CCC(F)(F)CC2)N1CCCC1C1=N[N-]N=N1	REAL300019674383	0	40	-1.0	-55.42	319.41	5.67	-49.75
O=C(C1CC12CCC(F)(F)CC2)N1CCCC1C1=NN=N[N-]1	REAL300019674383	1	40	-1.0	-55.42	319.47	5.70	-49.72
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1Br	REAL300019674384	0	32	-1.0	-51.17	288.24	3.82	-47.35
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1Br	REAL300019674384	1	32	-1.0	-51.19	288.18	3.79	-47.40
CN(C)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019674385	0	40	-1.0	-38.71	324.53	4.30	-34.41
CN(C)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019674385	1	40	-1.0	-38.78	324.60	4.30	-34.48
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300019674386	0	34	-1.0	-50.58	301.02	3.41	-47.17
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300019674386	1	34	-1.0	-50.57	300.96	3.41	-47.16
COC(=O)C1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674387	0	33	-1.0	-59.05	297.44	3.13	-55.92
COC(=O)C1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674387	1	33	-1.0	-59.04	297.50	3.16	-55.88
CC(C)(C)C1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674388	0	41	-1.0	-51.67	322.18	4.02	-47.65
CC(C)(C)C1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674388	1	41	-1.0	-51.66	322.12	3.99	-47.67
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300019674389	0	38	-1.0	-51.98	338.34	5.59	-46.39
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300019674389	1	38	-1.0	-51.99	338.40	5.61	-46.38
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=NN21	REAL300019674390	0	44	-1.0	-64.78	347.52	5.01	-59.77
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=NN21	REAL300019674390	1	44	-1.0	-64.77	347.47	4.99	-59.78
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674391	0	41	-1.0	-57.70	330.51	5.27	-52.43
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674391	1	41	-1.0	-57.72	330.57	5.29	-52.43
O=C(CCC1=CC=CC(Br)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019674392	0	36	-1.0	-50.94	326.80	6.12	-44.82
O=C(CCC1=CC=CC(Br)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019674392	1	36	-1.0	-50.91	326.86	6.14	-44.77
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300019674393	0	36	-1.0	-51.46	313.51	2.86	-48.60
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300019674393	1	36	-1.0	-51.41	313.57	2.88	-48.53
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674394	0	41	-1.0	-65.44	329.36	2.71	-62.73
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674394	1	41	-1.0	-65.47	329.42	2.73	-62.74
CCC1=CC=C(C(=O)C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019674395	0	35	-1.0	-47.40	307.27	4.46	-42.94
CCC1=CC=C(C(=O)C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019674395	1	35	-1.0	-47.42	307.33	4.48	-42.94
COC1=CC(Br)=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300019674396	0	34	-1.0	-42.18	296.99	3.08	-39.10
COC1=CC(Br)=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300019674396	1	34	-1.0	-42.17	297.05	3.08	-39.09
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674397	0	48	-1.0	-53.21	375.80	3.25	-49.96
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674397	1	48	-1.0	-53.23	375.86	3.26	-49.97
O=C(C1=CC(C2CCCC2)=NN1)N1CCCC1C1=N[N-]N=N1	REAL300019674398	0	40	-1.0	-49.42	316.75	3.59	-45.83
O=C(C1=CC(C2CCCC2)=NN1)N1CCCC1C1=NN=N[N-]1	REAL300019674398	1	40	-1.0	-49.45	316.81	3.60	-45.85
CC1(C)OC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300019674399	0	42	-1.0	-39.94	334.66	1.58	-38.36
CC1(C)OC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300019674399	1	42	-1.0	-39.98	334.73	1.59	-38.39
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCC1C1=N[N-]N=N1	REAL300019674400	0	38	-1.0	-51.96	310.55	2.83	-49.13
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCC1C1=NN=N[N-]1	REAL300019674400	1	38	-1.0	-51.98	310.60	2.85	-49.13
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300019674401	0	38	-1.0	-42.75	310.44	2.16	-40.59
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300019674401	1	38	-1.0	-42.78	310.51	2.16	-40.62
COC(=O)C1=CC=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C12	REAL300019674402	0	42	-1.0	-52.42	344.81	6.35	-46.07
COC(=O)C1=CC=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C12	REAL300019674402	1	42	-1.0	-52.47	344.75	6.33	-46.14
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCC1C1=N[N-]N=N1	REAL300019674403	0	37	-1.0	-47.80	304.09	0.24	-47.56
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCC1C1=NN=N[N-]1	REAL300019674403	1	37	-1.0	-47.84	304.14	0.25	-47.59
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NC=C1C(F)F	REAL300019674404	0	35	-1.0	-54.15	298.50	4.15	-50.00
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NC=C1C(F)F	REAL300019674404	1	35	-1.0	-54.12	298.56	4.17	-49.95
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCC1C1=N[N-]N=N1	REAL300019674405	0	38	-1.0	-61.85	318.91	1.75	-60.10
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCC1C1=NN=N[N-]1	REAL300019674405	1	38	-1.0	-61.85	318.97	1.77	-60.08
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674406	0	39	-1.0	-45.67	313.06	1.04	-44.63
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674406	1	39	-1.0	-45.66	313.00	1.05	-44.61
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674407	0	34	-1.0	-53.22	305.41	3.62	-49.60
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674407	1	34	-1.0	-53.25	305.36	3.59	-49.66
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674408	0	50	-1.0	-52.49	397.01	1.52	-50.97
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674408	1	50	-1.0	-52.45	397.07	1.54	-50.91
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)C1	REAL300019674409	0	57	-1.0	-59.87	429.48	6.53	-53.34
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)C1	REAL300019674409	1	57	-1.0	-59.84	429.54	6.56	-53.28
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674410	0	53	-1.0	-65.58	403.25	5.19	-60.39
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674410	1	53	-1.0	-65.59	403.31	5.21	-60.38
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674411	0	57	-1.0	-54.51	435.89	6.96	-47.55
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674411	1	57	-1.0	-54.53	435.95	6.98	-47.55
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674412	0	50	-1.0	-53.78	381.78	3.48	-50.30
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674412	1	50	-1.0	-53.77	381.84	3.51	-50.26
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674413	0	51	-1.0	-53.53	402.05	4.16	-49.37
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674413	1	51	-1.0	-53.55	402.11	4.19	-49.36
COC1=CC=CC=C1OC(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674414	0	41	-1.0	-62.80	330.35	4.65	-58.15
COC1=CC=CC=C1OC(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674414	1	41	-1.0	-62.82	330.40	4.68	-58.14
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300019674415	0	44	-1.0	-47.80	345.90	1.51	-46.29
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300019674415	1	44	-1.0	-47.82	345.96	1.50	-46.32
CCC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL300019674416	0	39	-1.0	-51.76	341.18	5.61	-46.15
CCC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300019674416	1	39	-1.0	-51.74	341.23	5.63	-46.11
O=C(C1CCC(C2CCCO2)O1)N1CCCC1C1=N[N-]N=N1	REAL300019674417	0	42	-1.0	-56.18	328.15	3.59	-52.59
O=C(C1CCC(C2CCCO2)O1)N1CCCC1C1=NN=N[N-]1	REAL300019674417	1	42	-1.0	-56.22	328.21	3.61	-52.61
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019674418	0	33	-1.0	-35.43	296.47	4.49	-30.94
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019674418	1	33	-1.0	-35.40	296.54	4.49	-30.91
CC1=CC(F)=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019674419	0	35	-1.0	-43.12	296.26	4.41	-38.71
CC1=CC(F)=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019674419	1	35	-1.0	-43.14	296.32	4.43	-38.71
O=C(C1=CN=C2OCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674420	0	37	-1.0	-46.89	293.10	0.46	-46.43
O=C(C1=CN=C2OCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674420	1	37	-1.0	-46.87	293.03	0.46	-46.41
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300019674421	0	35	-1.0	-47.40	305.61	3.10	-44.30
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300019674421	1	35	-1.0	-47.43	305.67	3.12	-44.31
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL300019674422	0	39	-1.0	-46.36	330.31	6.20	-40.16
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300019674422	1	39	-1.0	-46.35	330.37	6.23	-40.12
CC1=CC2=C(C=C(C(=O)N3CCCC3C3=N[N-]N=N3)S2)S1	REAL300019674423	0	33	-1.0	-53.44	300.49	4.77	-48.67
CC1=CC2=C(C=C(C(=O)N3CCCC3C3=NN=N[N-]3)S2)S1	REAL300019674423	1	33	-1.0	-53.47	300.55	4.79	-48.68
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674424	0	41	-1.0	-53.67	351.01	0.19	-53.48
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674424	1	41	-1.0	-53.70	351.06	0.22	-53.48
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300019674425	0	36	-1.0	-50.13	327.12	5.87	-44.26
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300019674425	1	36	-1.0	-50.16	327.18	5.89	-44.27
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019674426	0	43	-1.0	-53.32	366.22	7.60	-45.72
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019674426	1	43	-1.0	-53.39	366.28	7.62	-45.77
CON(CCC(=O)N1CCCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019674427	0	47	-1.0	-55.30	378.17	4.05	-51.25
CON(CCC(=O)N1CCCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019674427	1	47	-1.0	-55.26	378.23	4.07	-51.19
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674428	0	32	-1.0	-49.97	292.94	1.41	-48.56
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674428	1	32	-1.0	-50.03	292.99	1.43	-48.60
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019674429	0	43	-1.0	-50.19	352.16	2.47	-47.72
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019674429	1	43	-1.0	-50.20	352.22	2.49	-47.71
COC(=O)C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C(F)C=N1	REAL300019674430	0	35	-1.0	-52.10	307.91	2.50	-49.60
COC(=O)C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C(F)C=N1	REAL300019674430	1	35	-1.0	-52.11	307.85	2.49	-49.62
O=C(C1=C2SC=CC2=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674431	0	32	-1.0	-46.29	274.98	2.57	-43.72
O=C(C1=C2SC=CC2=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674431	1	32	-1.0	-46.25	274.92	2.58	-43.67
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674432	0	46	-1.0	-53.72	370.63	6.15	-47.57
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674432	1	46	-1.0	-53.73	370.69	6.18	-47.55
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300019674433	0	37	-1.0	-53.38	334.85	6.75	-46.63
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300019674433	1	37	-1.0	-53.35	334.91	6.78	-46.57
O=C(C1CC(C2=CC=CC(Br)=C2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300019674434	0	38	-1.0	-57.88	342.30	5.84	-52.04
O=C(C1CC(C2=CC=CC(Br)=C2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300019674434	1	38	-1.0	-57.89	342.36	5.86	-52.03
O=C(CN1C=C(I)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019674435	0	30	-1.0	-55.52	287.76	3.17	-52.35
O=C(CN1C=C(I)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019674435	1	30	-1.0	-55.48	287.70	3.15	-52.33
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCC1C1=NN=N[N-]1	REAL300019674436	0	33	-1.0	-51.76	296.21	4.51	-47.25
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCC1C1=N[N-]N=N1	REAL300019674436	1	33	-1.0	-51.77	296.15	4.49	-47.28
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCC1C1=N[N-]N=N1	REAL300019674437	0	36	-1.0	-54.51	308.47	2.37	-52.14
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCC1C1=NN=N[N-]1	REAL300019674437	1	36	-1.0	-54.51	308.53	2.38	-52.13
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674438	0	40	-1.0	-61.42	337.14	-0.04	-61.46
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674438	1	40	-1.0	-61.35	337.09	-0.06	-61.41
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674439	0	30	-1.0	-42.98	286.07	0.79	-42.19
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674439	1	30	-1.0	-43.00	286.01	0.76	-42.24
COC1=C(Cl)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C2=NC=CC=C21	REAL300019674440	0	39	-1.0	-47.87	332.69	3.95	-43.92
COC1=C(Cl)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C2=NC=CC=C21	REAL300019674440	1	39	-1.0	-47.85	332.64	3.93	-43.92
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019674441	0	45	-1.0	-52.96	370.68	4.01	-48.95
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019674441	1	45	-1.0	-52.93	370.62	3.99	-48.94
O=C(CCSCC1=NC(=O)C2=CC=CC=C2N1)NCC1=N[N-]N=N1	REAL300019679202	0	38	-1.0	-53.62	346.71	2.12	-51.50
O=C(CCSCC1=NC(=O)C2=CC=CC=C2N1)NCC1=NN=N[N-]1	REAL300019679202	1	38	-1.0	-53.62	346.77	2.13	-51.49
COC1=CC=CC(CC2(C(=O)NCC3=N[N-]N=N3)CC3CCC2C3)=C1	REAL300019679203	0	47	-1.0	-44.49	356.63	4.98	-39.51
COC1=CC=CC(CC2(C(=O)NCC3=NN=N[N-]3)CC3CCC2C3)=C1	REAL300019679203	1	47	-1.0	-44.47	356.69	4.99	-39.48
CC1=CSC(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)=N1	REAL300019679204	0	32	-1.0	-37.88	297.85	2.74	-35.14
CC1=CSC(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)=N1	REAL300019679204	1	32	-1.0	-37.90	297.80	2.72	-35.18
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)NCC1=N[N-]N=N1	REAL300019679205	0	34	-1.0	-37.69	306.37	1.21	-36.48
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)NCC1=NN=N[N-]1	REAL300019679205	1	34	-1.0	-37.69	306.42	1.22	-36.47
NS(=O)(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=CC2=C1CCC2	REAL300019679206	0	35	-1.0	-45.64	309.96	-1.92	-47.56
NS(=O)(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=CC2=C1CCC2	REAL300019679206	1	35	-1.0	-45.68	310.02	-1.90	-47.58
O=C(CN1CCN(C2=CC=CC=N2)CC1)NCC1=N[N-]N=N1	REAL300019679207	0	39	-1.0	-39.28	317.90	-0.35	-39.63
O=C(CN1CCN(C2=CC=CC=N2)CC1)NCC1=NN=N[N-]1	REAL300019679207	1	39	-1.0	-39.29	317.95	-0.34	-39.63
CN(C)C(C(=O)NCC1=N[N-]N=N1)C1=C(F)C=CC=C1Cl	REAL300019679208	0	34	-1.0	-37.89	301.05	2.67	-35.22
CN(C)C(C(=O)NCC1=NN=N[N-]1)C1=C(F)C=CC=C1Cl	REAL300019679208	1	34	-1.0	-37.85	301.11	2.69	-35.16
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679209	0	34	-1.0	-40.84	312.33	4.31	-36.53
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679209	1	34	-1.0	-40.79	312.39	4.32	-36.47
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NC2=C1C(=O)NC(=O)N2	REAL300019679210	0	31	-1.0	-36.97	280.41	-2.53	-39.50
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NC2=C1C(=O)NC(=O)N2	REAL300019679210	1	31	-1.0	-36.99	280.47	-2.52	-39.51
CC(C)C1=NC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC(F)=C1	REAL300019679211	0	38	-1.0	-46.68	334.95	3.78	-42.90
CC(C)C1=NC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC(F)=C1	REAL300019679211	1	38	-1.0	-46.65	335.00	3.80	-42.85
CC1=CC=C(N2CCC(C(=O)NCC3=N[N-]N=N3)CC2)N=C1	REAL300019679212	0	40	-1.0	-38.03	325.00	2.44	-35.59
CC1=CC=C(N2CCC(C(=O)NCC3=NN=N[N-]3)CC2)N=C1	REAL300019679212	1	40	-1.0	-37.98	325.05	2.45	-35.53
COCCNS(=O)(=O)C1=CNC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679213	0	36	-1.0	-42.48	331.89	-4.91	-47.39
COCCNS(=O)(=O)C1=CNC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679213	1	36	-1.0	-42.44	331.95	-4.90	-47.34
CC(C)NS(=O)(=O)C1=CNC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679214	0	35	-1.0	-41.85	315.82	-3.43	-45.28
CC(C)NS(=O)(=O)C1=CNC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679214	1	35	-1.0	-41.86	315.88	-3.41	-45.27
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL300019679215	0	32	-1.0	-42.91	311.50	-7.53	-50.44
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)O1	REAL300019679215	1	32	-1.0	-42.97	311.55	-7.51	-50.48
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL300019679215	1	31	-2.0	-90.62	310.28	-7.91	-98.53
O=C(NCC1=N[N-]N=N1)C1CCCCN1CC1=CC=CC=C1	REAL300019679216	0	41	-1.0	-37.46	328.26	2.56	-34.90
O=C(NCC1=NN=N[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300019679216	1	42	0.0	-45.11	330.50	4.83	-40.28
O=C(NCC1=NN=N[N-]1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300019679216	1	42	0.0	-45.12	330.44	4.83	-40.29
O=C(NCC1=NN=N[N-]1)C1CCCCN1CC1=CC=CC=C1	REAL300019679216	1	41	-1.0	-37.45	328.32	2.57	-34.88
O=C(NCC1=N[N-]N=N1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300019679217	0	36	-1.0	-48.29	313.33	0.39	-47.90
O=C(NCC1=NN=N[N-]1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300019679217	1	36	-1.0	-48.25	313.39	0.41	-47.84
CC1=C(C(=O)NCC2=NN=N[N-]2)N=C(C2=CC=CC=C2F)O1	REAL300019679218	0	32	-1.0	-45.27	295.85	0.90	-44.37
CC1=C(C(=O)NCC2=N[N-]N=N2)N=C(C2=CC=CC=C2F)O1	REAL300019679218	1	32	-1.0	-45.24	295.79	0.89	-44.35
CN(CC(=O)NCC1=N[N-]N=N1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019679219	0	36	-1.0	-39.87	337.94	0.32	-39.55
CN(CC(=O)NCC1=NN=N[N-]1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019679219	1	36	-1.0	-39.89	338.04	0.34	-39.55
O=C(CCSC1=CC=C2OCCCOC2=C1)NCC1=N[N-]N=N1	REAL300019679220	0	39	-1.0	-38.37	339.19	3.12	-35.25
O=C(CCSC1=CC=C2OCCCOC2=C1)NCC1=NN=N[N-]1	REAL300019679220	1	39	-1.0	-38.41	339.25	3.14	-35.27
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)NCC1=N[N-]N=N1	REAL300019679221	0	41	-1.0	-42.46	344.21	1.06	-41.40
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)NCC1=NN=N[N-]1	REAL300019679221	1	41	-1.0	-42.47	344.27	1.07	-41.40
COCCC(CC1=CC=CC(Br)=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679222	0	39	-1.0	-36.77	343.08	3.64	-33.13
COCCC(CC1=CC=CC(Br)=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679222	1	39	-1.0	-36.80	343.13	3.64	-33.16
O=C(NCC1=NN=N[N-]1)C1=NC=CN=C1C(=O)NC1=CC=C(Cl)C=C1	REAL300019679223	0	35	-1.0	-45.76	332.58	0.99	-44.77
O=C(NCC1=N[N-]N=N1)C1=NC=CN=C1C(=O)NC1=CC=C(Cl)C=C1	REAL300019679223	1	35	-1.0	-45.80	332.53	0.97	-44.83
O=C(NCC1=NN=N[N-]1)C1=CSC(C2=CC=C(Br)S2)=N1	REAL300019679224	0	26	-1.0	-41.23	292.17	1.82	-39.41
O=C(NCC1=N[N-]N=N1)C1=CSC(C2=CC=C(Br)S2)=N1	REAL300019679224	1	26	-1.0	-41.23	292.12	1.81	-39.42
CC(C)(C)OC(=O)NCC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019679225	0	46	-1.0	-40.11	379.78	2.26	-37.85
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019679225	1	46	-1.0	-40.11	379.83	2.27	-37.84
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(C)=C1OCC(=O)N1CCCCC1	REAL300019679226	0	50	-1.0	-42.27	404.78	5.70	-36.57
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(C)=C1OCC(=O)N1CCCCC1	REAL300019679226	1	50	-1.0	-42.31	404.83	5.72	-36.59
O=C(NCC1=N[N-]N=N1)C1CN(CC2=NC(=O)C3=CC=CC=C3N2)CCO1	REAL300019679227	0	44	-1.0	-51.83	368.81	0.17	-51.66
O=C(NCC1=NN=N[N-]1)C1CN(CC2=NC(=O)C3=CC=CC=C3N2)CCO1	REAL300019679227	1	44	-1.0	-51.83	368.87	0.18	-51.65
CC(C(=O)NCC1=N[N-]N=N1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300019679228	0	38	-1.0	-41.23	304.56	0.35	-40.88
CC(C(=O)NCC1=NN=N[N-]1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300019679228	1	38	-1.0	-41.21	304.62	0.36	-40.85
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679229	0	37	-1.0	-43.90	322.39	1.95	-41.95
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679229	1	37	-1.0	-43.89	322.33	1.93	-41.96
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)NCC1=N[N-]N=N1	REAL300019679230	0	32	-1.0	-43.28	310.07	-0.15	-43.43
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)NCC1=NN=N[N-]1	REAL300019679230	1	32	-1.0	-43.27	310.13	-0.13	-43.40
CCCC1=C(C(=O)NCC2=N[N-]N=N2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300019679231	0	47	-1.0	-41.78	387.33	4.78	-37.00
CCCC1=C(C(=O)NCC2=NN=N[N-]2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300019679231	1	47	-1.0	-41.85	387.39	4.79	-37.06
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C(=O)N2CCCC2)=N1	REAL300019679232	0	36	-1.0	-37.94	307.74	1.46	-36.48
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C(=O)N2CCCC2)=N1	REAL300019679232	1	36	-1.0	-37.91	307.68	1.45	-36.46
O=C(NCC1=NN=N[N-]1)C1=CC=NC(OCC(F)(F)F)=C1	REAL300019679233	0	29	-1.0	-36.21	280.43	-0.61	-36.82
O=C(NCC1=N[N-]N=N1)C1=CC=NC(OCC(F)(F)F)=C1	REAL300019679233	1	29	-1.0	-36.21	280.37	-0.63	-36.84
O=C(CCS(=O)(=O)C1=CC=C2OCCCOC2=C1)NCC1=N[N-]N=N1	REAL300019679234	0	41	-1.0	-44.27	359.67	-0.30	-44.57
O=C(CCS(=O)(=O)C1=CC=C2OCCCOC2=C1)NCC1=NN=N[N-]1	REAL300019679234	1	41	-1.0	-44.30	359.72	-0.29	-44.59
CC(C)CNC(=O)N1CCCC(CC(=O)NCC2=N[N-]N=N2)C1	REAL300019679235	0	47	-1.0	-48.68	367.51	2.26	-46.42
CC(C)CNC(=O)N1CCCC(CC(=O)NCC2=NN=N[N-]2)C1	REAL300019679235	1	47	-1.0	-48.68	367.56	2.28	-46.40
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3=NN=N[N-]3)CC2)=C1	REAL300019679236	0	47	0.0	-57.73	366.02	3.68	-54.05
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3=N[N-]N=N3)CC2)=C1	REAL300019679236	1	47	0.0	-57.69	365.96	3.66	-54.03
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=NN=N[N-]1	REAL300019679237	0	44	0.0	-57.64	344.62	3.01	-54.63
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=N[N-]N=N1	REAL300019679237	1	44	0.0	-57.59	344.56	3.00	-54.59
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NCC1=NN=N[N-]1	REAL300019679238	0	43	0.0	-57.37	342.37	2.43	-54.94
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NCC1=N[N-]N=N1	REAL300019679238	1	43	0.0	-57.36	342.31	2.41	-54.95
O=C(CCN1CCN(C2=CC=CC=N2)CC1)NCC1=NN=N[N-]1	REAL300019679238	1	42	-1.0	-38.82	339.79	0.15	-38.67
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL300019679239	0	44	0.0	-58.86	348.53	2.57	-56.29
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL300019679239	1	44	0.0	-58.89	348.59	2.58	-56.31
COC1=CC=C2C(=C1)C(C(=O)NCC1=N[N-]N=N1)=C(C)N2CC1=CC=CC=C1	REAL300019679240	0	47	-1.0	-47.33	397.09	6.44	-40.89
COC1=CC=C2C(=C1)C(C(=O)NCC1=NN=N[N-]1)=C(C)N2CC1=CC=CC=C1	REAL300019679240	1	47	-1.0	-47.31	397.15	6.46	-40.85
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL300019679241	0	44	-1.0	-48.90	362.24	3.96	-44.94
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL300019679241	1	44	-1.0	-48.89	362.29	3.98	-44.91
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019679242	0	43	-1.0	-37.02	376.22	2.79	-34.23
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019679242	1	43	-1.0	-37.01	376.28	2.80	-34.21
CC(C)=CCSC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019679243	0	37	-1.0	-40.00	320.66	5.10	-34.90
CC(C)=CCSC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019679243	1	37	-1.0	-39.99	320.72	5.11	-34.88
CC(C)(C)OC(=O)N1CCN(CC(=O)NCC2=N[N-]N=N2)C(=O)C1	REAL300019679244	0	44	-1.0	-46.44	359.59	0.90	-45.54
CC(C)(C)OC(=O)N1CCN(CC(=O)NCC2=NN=N[N-]2)C(=O)C1	REAL300019679244	1	44	-1.0	-46.42	359.66	0.91	-45.51
O=C(NCC1=N[N-]N=N1)C1=CC(N2CCNC2=O)=CC=C1F	REAL300019679245	0	33	-1.0	-40.64	288.55	0.05	-40.59
O=C(NCC1=NN=N[N-]1)C1=CC(N2CCNC2=O)=CC=C1F	REAL300019679245	1	33	-1.0	-40.62	288.61	0.06	-40.56
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=N2)C=C1	REAL300019679246	0	45	-1.0	-36.99	374.54	3.92	-33.07
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=N2)C=C1	REAL300019679246	1	45	-1.0	-36.98	374.49	3.91	-33.07
CN1C(C(=O)NCC2=N[N-]N=N2)=CC(Br)=C1C=O	REAL300019679247	0	26	-1.0	-35.25	257.66	0.86	-34.39
CN1C(C(=O)NCC2=NN=N[N-]2)=CC(Br)=C1C=O	REAL300019679247	1	26	-1.0	-35.23	257.72	0.87	-34.36
CCCC1=C(C(=O)NCC2=N[N-]N=N2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300019679248	0	50	-1.0	-40.57	403.16	5.19	-35.38
CCCC1=C(C(=O)NCC2=NN=N[N-]2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300019679248	1	50	-1.0	-40.60	403.22	5.21	-35.39
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)NCC1=N[N-]N=N1	REAL300019679249	0	38	-1.0	-59.48	343.59	1.87	-57.61
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)NCC1=NN=N[N-]1	REAL300019679249	1	38	-1.0	-59.44	343.65	1.89	-57.55
CC(=O)NC(CC(=O)NCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300019679250	0	36	-1.0	-36.95	317.15	1.12	-35.83
CC(=O)NC(CC(=O)NCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300019679250	1	36	-1.0	-36.96	317.20	1.13	-35.83
O=C(NCC1=N[N-]N=N1)C1CN(CC2=CC=CC=C2)CCO1	REAL300019679251	0	39	-1.0	-37.24	322.60	1.25	-35.99
O=C(NCC1=NN=N[N-]1)C1CN(CC2=CC=CC=C2)CCO1	REAL300019679251	1	39	-1.0	-37.25	322.66	1.27	-35.98
O=C(NCC1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300019679251	1	40	0.0	-56.01	325.90	3.70	-52.31
O=C(NCC1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300019679251	1	40	0.0	-56.04	325.95	3.70	-52.34
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1NC(=O)NC1=CC=CC=C1	REAL300019679252	0	42	-1.0	-50.08	356.62	3.36	-46.72
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1NC(=O)NC1=CC=CC=C1	REAL300019679252	1	42	-1.0	-50.05	356.68	3.38	-46.67
O=C(CCN1C(=O)CCC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL300019679253	0	37	-1.0	-41.33	312.37	3.07	-38.26
O=C(CCN1C(=O)CCC2=CC=CC=C21)NCC1=NN=N[N-]1	REAL300019679253	1	37	-1.0	-41.38	312.43	3.08	-38.30
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1	REAL300019679254	0	34	-1.0	-36.28	332.38	5.13	-31.15
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1	REAL300019679254	1	34	-1.0	-36.31	332.43	5.14	-31.17
CC(C)(C)NC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679255	0	41	-1.0	-48.83	350.61	1.34	-47.49
CC(C)(C)NC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679255	1	41	-1.0	-48.80	350.66	1.35	-47.45
CC(C)C1=CC=C(N2CCC(C(=O)NCC3=N[N-]N=N3)C2=O)C=C1	REAL300019679256	0	43	-1.0	-46.27	349.18	4.25	-42.02
CC(C)C1=CC=C(N2CCC(C(=O)NCC3=NN=N[N-]3)C2=O)C=C1	REAL300019679256	1	43	-1.0	-46.30	349.23	4.26	-42.04
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)NCC1=NN=N[N-]1	REAL300019679257	0	40	-1.0	-39.32	338.71	4.12	-35.20
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)NCC1=N[N-]N=N1	REAL300019679257	1	40	-1.0	-39.35	338.65	4.11	-35.24
O=C(NCC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1	REAL300019679258	0	39	-1.0	-43.21	353.58	2.72	-40.49
O=C(NCC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1	REAL300019679258	1	39	-1.0	-43.22	353.64	2.74	-40.48
CC(C)CNC(=O)N1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL300019679259	0	44	-1.0	-44.06	349.01	1.55	-42.51
CC(C)CNC(=O)N1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL300019679259	1	44	-1.0	-44.02	349.07	1.57	-42.45
CCC1=C(C(=O)NCC2=N[N-]N=N2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300019679260	0	45	-1.0	-40.78	374.75	2.94	-37.84
CCC1=C(C(=O)NCC2=NN=N[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300019679260	1	45	-1.0	-40.80	374.81	2.95	-37.85
CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300019679261	0	33	-1.0	-39.69	304.04	-2.63	-42.32
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300019679261	1	33	-1.0	-39.68	304.10	-2.61	-42.29
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300019679262	0	44	0.0	-61.51	348.53	2.58	-58.93
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300019679262	1	44	0.0	-61.50	348.58	2.59	-58.91
O=C(NCC1=N[N-]N=N1)C1=CC(N2CCOC2=O)=CC=C1F	REAL300019679263	0	32	-1.0	-56.63	284.78	1.39	-55.24
O=C(NCC1=NN=N[N-]1)C1=CC(N2CCOC2=O)=CC=C1F	REAL300019679263	1	32	-1.0	-56.65	284.83	1.41	-55.24
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1	REAL300019679264	0	33	-1.0	-38.48	329.62	2.49	-35.99
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1	REAL300019679264	1	33	-1.0	-38.47	329.57	2.48	-35.99
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)NCC1=N[N-]N=N1	REAL300019679265	0	47	-1.0	-36.34	364.89	1.75	-34.59
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)NCC1=NN=N[N-]1	REAL300019679265	1	47	-1.0	-36.35	364.95	1.76	-34.59
O=C(NCC1=N[N-]N=N1)C1=CC(OCC(F)(F)F)=CC=C1OCC(F)(F)F	REAL300019679266	0	37	-1.0	-48.56	351.18	3.86	-44.70
O=C(NCC1=NN=N[N-]1)C1=CC(OCC(F)(F)F)=CC=C1OCC(F)(F)F	REAL300019679266	1	37	-1.0	-48.50	351.24	3.87	-44.63
CN1CCN(C2=NC=C(C(=O)NCC3=N[N-]N=N3)S2)CC1	REAL300019679267	0	36	-1.0	-36.98	311.93	-1.65	-38.63
CN1CCN(C2=NC=C(C(=O)NCC3=NN=N[N-]3)S2)CC1	REAL300019679267	1	36	-1.0	-36.98	311.99	-1.63	-38.61
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1OC1CCCCC1	REAL300019679268	0	40	-1.0	-41.84	320.31	5.24	-36.60
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1OC1CCCCC1	REAL300019679268	1	40	-1.0	-41.83	320.37	5.26	-36.57
CC(C)(C)C(=O)NCC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679269	0	42	-1.0	-39.74	352.48	2.30	-37.44
CC(C)(C)C(=O)NCC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679269	1	42	-1.0	-39.71	352.54	2.32	-37.39
O=C(NCC1=N[N-]N=N1)C1=CC=CC(CSC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300019679270	0	37	-1.0	-37.72	366.62	7.16	-30.56
O=C(NCC1=NN=N[N-]1)C1=CC=CC(CSC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300019679270	1	37	-1.0	-37.71	366.68	7.17	-30.54
CCS(=O)(=O)NCC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679271	0	37	-1.0	-46.74	332.95	-1.04	-47.78
CCS(=O)(=O)NCC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679271	1	37	-1.0	-46.71	333.01	-1.03	-47.74
O=C(NCC1=NN=N[N-]1)C1=CC=CC(SC2=CC=CC(Br)=C2)=N1	REAL300019679272	0	33	-1.0	-42.71	329.12	4.38	-38.33
O=C(NCC1=N[N-]N=N1)C1=CC=CC(SC2=CC=CC(Br)=C2)=N1	REAL300019679272	1	33	-1.0	-42.71	329.06	4.37	-38.34
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300019679273	0	28	-1.0	-39.25	274.57	3.91	-35.34
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300019679273	1	28	-1.0	-39.26	274.62	3.92	-35.34
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)NCC1=N[N-]N=N1	REAL300019679274	0	34	-1.0	-44.07	301.32	1.40	-42.67
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)NCC1=NN=N[N-]1	REAL300019679274	1	34	-1.0	-44.05	301.38	1.41	-42.64
O=C(NCC1=N[N-]N=N1)C1=CC=C(F)C(Br)=C1	REAL300019679275	0	23	-1.0	-34.53	238.54	1.91	-32.62
O=C(NCC1=NN=N[N-]1)C1=CC=C(F)C(Br)=C1	REAL300019679275	1	23	-1.0	-34.55	238.60	1.92	-32.63
O=C(COC1=CC(Cl)=CC(Cl)=C1)NCC1=N[N-]N=N1	REAL300019679276	0	27	-1.0	-36.26	278.57	2.84	-33.42
O=C(COC1=CC(Cl)=CC(Cl)=C1)NCC1=NN=N[N-]1	REAL300019679276	1	27	-1.0	-36.30	278.62	2.86	-33.44
CC1=NC(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)=CS1	REAL300019679277	0	32	-1.0	-42.96	296.13	2.69	-40.27
CC1=NC(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)=CS1	REAL300019679277	1	32	-1.0	-43.01	296.07	2.67	-40.34
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)NCC1=N[N-]N=N1	REAL300019679278	0	38	-1.0	-40.79	311.59	-0.57	-41.36
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)NCC1=NN=N[N-]1	REAL300019679278	1	38	-1.0	-40.76	311.65	-0.55	-41.31
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300019679279	0	33	-1.0	-38.16	304.63	4.84	-33.32
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300019679279	1	33	-1.0	-38.14	304.69	4.86	-33.28
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679280	0	45	-1.0	-46.65	377.38	1.19	-45.46
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679280	1	45	-1.0	-46.64	377.44	1.21	-45.43
O=C(NCC1=N[N-]N=N1)C1CCCN(C(=O)NC2CCCC2)C1	REAL300019679281	0	45	-1.0	-44.52	352.72	2.19	-42.33
O=C(NCC1=NN=N[N-]1)C1CCCN(C(=O)NC2CCCC2)C1	REAL300019679281	1	45	-1.0	-44.57	352.77	2.21	-42.36
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679282	0	40	-1.0	-48.06	330.98	3.53	-44.53
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679282	1	40	-1.0	-48.05	331.03	3.55	-44.50
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(NC(C)=O)=C1OC	REAL300019679283	0	38	-1.0	-44.10	329.51	-0.40	-44.50
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(NC(C)=O)=C1OC	REAL300019679283	1	38	-1.0	-44.07	329.56	-0.39	-44.46
CN(CCCC(=O)NCC1=N[N-]N=N1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300019679284	0	41	-1.0	-57.35	356.84	0.58	-56.77
CN(CCCC(=O)NCC1=NN=N[N-]1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300019679284	1	41	-1.0	-57.34	356.89	0.60	-56.74
O=C(NCC1=N[N-]N=N1)C1=CNN=C1C1=CC=CC(OC(F)F)=C1	REAL300019679285	0	34	-1.0	-41.56	306.63	0.83	-40.73
O=C(NCC1=NN=N[N-]1)C1=CNN=C1C1=CC=CC(OC(F)F)=C1	REAL300019679285	1	34	-1.0	-41.49	306.69	0.84	-40.65
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)NCC1=N[N-]N=N1)S2	REAL300019679286	0	39	-1.0	-39.08	353.73	0.27	-38.81
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)NCC1=NN=N[N-]1)S2	REAL300019679286	1	39	-1.0	-39.04	353.79	0.28	-38.76
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1	REAL300019679287	0	42	-1.0	-39.03	343.15	5.53	-33.50
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1	REAL300019679287	1	42	-1.0	-39.03	343.21	5.55	-33.48
O=C(NCC1=N[N-]N=N1)C1CCN(C2=CC=CC(Cl)=C2)C1=O	REAL300019679288	0	34	-1.0	-48.45	305.16	2.87	-45.58
O=C(NCC1=NN=N[N-]1)C1CCN(C2=CC=CC(Cl)=C2)C1=O	REAL300019679288	1	34	-1.0	-48.46	305.21	2.89	-45.57
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679289	0	33	-1.0	-36.50	307.36	3.53	-32.97
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679289	1	33	-1.0	-36.49	307.42	3.54	-32.95
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1CCCCC1	REAL300019679290	0	49	-1.0	-34.78	372.83	2.23	-32.55
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1CCCCC1	REAL300019679290	1	49	-1.0	-34.74	372.89	2.25	-32.49
CCCC1=NC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300019679291	0	38	-1.0	-49.51	336.76	4.23	-45.28
CCCC1=NC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300019679291	1	38	-1.0	-49.55	336.81	4.25	-45.30
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1	REAL300019679292	0	32	-1.0	-41.11	327.22	1.21	-39.90
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1	REAL300019679292	1	32	-1.0	-41.13	327.16	1.20	-39.93
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NCC3=N[N-]N=N3)O2)C=C1	REAL300019679293	0	42	-1.0	-39.05	351.36	5.31	-33.74
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NCC3=NN=N[N-]3)O2)C=C1	REAL300019679293	1	42	-1.0	-39.06	351.42	5.33	-33.73
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1	REAL300019679294	0	34	-1.0	-36.79	333.70	5.15	-31.64
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1	REAL300019679294	1	34	-1.0	-36.78	333.76	5.17	-31.61
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679295	0	33	-1.0	-50.41	309.68	-4.24	-54.65
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679295	1	33	-1.0	-50.43	309.74	-4.23	-54.66
O=C(NCC1=N[N-]N=N1)C1=CNC=C1C1=CC=C2OCCOC2=C1	REAL300019679296	0	37	-1.0	-45.18	319.91	1.90	-43.28
O=C(NCC1=NN=N[N-]1)C1=CNC=C1C1=CC=C2OCCOC2=C1	REAL300019679296	1	37	-1.0	-45.19	319.97	1.92	-43.27
O=CC1=CC=C(OCC(=O)NCC2=N[N-]N=N2)C(Br)=C1	REAL300019679297	0	29	-1.0	-45.14	288.68	2.19	-42.95
O=CC1=CC=C(OCC(=O)NCC2=NN=N[N-]2)C(Br)=C1	REAL300019679297	1	29	-1.0	-45.13	288.74	2.21	-42.92
CC1=CC=C(CN2C(=O)CCC2C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679298	0	40	-1.0	-39.61	340.06	3.54	-36.07
CC1=CC=C(CN2C(=O)CCC2C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679298	1	40	-1.0	-39.59	340.12	3.56	-36.03
CC1=NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2N1C1CCS(=O)(=O)C1	REAL300019679299	0	42	-1.0	-52.13	357.44	0.84	-51.29
CC1=NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C2N1C1CCS(=O)(=O)C1	REAL300019679299	1	42	-1.0	-52.15	357.50	0.86	-51.29
NC(=O)C1=CC(S(=O)(=O)NCC(=O)NCC2=N[N-]N=N2)=CN1	REAL300019679300	0	33	-1.0	-50.46	314.16	-7.86	-58.32
NC(=O)C1=CC(S(=O)(=O)NCC(=O)NCC2=NN=N[N-]2)=CN1	REAL300019679300	1	33	-1.0	-50.44	314.22	-7.85	-58.29
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CC(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300019679348	0	32	-1.0	-36.93	288.70	3.68	-33.25
CC(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300019679348	1	32	-1.0	-36.95	288.76	3.69	-33.26
CCC1=NC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300019679349	0	35	-1.0	-49.79	315.21	3.47	-46.32
CCC1=NC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300019679349	1	35	-1.0	-49.82	315.27	3.48	-46.34
COC1=CC=C(C2=NC=C(C(=O)NCC3=NN=N[N-]3)S2)C=C1	REAL300019679350	0	33	-1.0	-37.16	307.83	1.47	-35.69
COC1=CC=C(C2=NC=C(C(=O)NCC3=N[N-]N=N3)S2)C=C1	REAL300019679350	1	33	-1.0	-37.16	307.77	1.45	-35.71
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CC(CC(=O)NCC1=N[N-]N=N1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300019679353	0	38	-1.0	-52.11	341.69	-0.74	-52.85
CC(CC(=O)NCC1=NN=N[N-]1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300019679353	1	38	-1.0	-52.13	341.75	-0.72	-52.85
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679354	0	39	-1.0	-39.41	330.96	2.25	-37.16
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679354	1	39	-1.0	-39.37	331.02	2.27	-37.10
CC(C)(C)C(=O)NC1=NC(CC(=O)NCC2=N[N-]N=N2)=CS1	REAL300019679355	0	38	-1.0	-42.49	334.73	1.08	-41.41
CC(C)(C)C(=O)NC1=NC(CC(=O)NCC2=NN=N[N-]2)=CS1	REAL300019679355	1	38	-1.0	-42.52	334.79	1.09	-41.43
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679356	0	44	-1.0	-39.28	374.55	2.69	-36.59
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679356	1	44	-1.0	-39.29	374.61	2.70	-36.59
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CC(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300019679362	0	35	-1.0	-38.82	303.86	3.97	-34.85
CC(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300019679362	1	35	-1.0	-38.83	303.91	3.98	-34.85
CC(C)(C)CC1=NC(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)=NO1	REAL300019679363	0	43	-1.0	-38.78	362.05	3.27	-35.51
CC(C)(C)CC1=NC(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)=NO1	REAL300019679363	1	43	-1.0	-38.71	361.99	3.26	-35.45
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CC(C)C1=NN(C)C2=C1C=C(C(=O)NCC1=NN=N[N-]1)S2	REAL300019679365	0	35	-1.0	-37.44	317.54	2.26	-35.18
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019679366	0	38	-2.0	-91.99	344.15	-2.59	-94.58
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019679366	1	38	-2.0	-91.99	344.20	-2.58	-94.57
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(NS(C)(=O)=O)=C1OC	REAL300019679366	1	39	-1.0	-42.49	345.31	-2.61	-45.10
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(NS(C)(=O)=O)=C1OC	REAL300019679366	1	39	-1.0	-42.50	345.37	-2.60	-45.10
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679367	0	42	-1.0	-45.85	359.07	-0.48	-46.33
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679367	1	42	-1.0	-45.87	359.13	-0.46	-46.33
COC1=C(C(=O)NCC2=N[N-]N=N2)SC(C)=C1Br	REAL300019679368	0	27	-1.0	-37.58	275.55	1.99	-35.59
COC1=C(C(=O)NCC2=NN=N[N-]2)SC(C)=C1Br	REAL300019679368	1	27	-1.0	-37.60	275.61	2.01	-35.59
CC(C)(C)OC(=O)N1CCCC1CC(=O)NCC1=N[N-]N=N1	REAL300019679369	0	43	-1.0	-39.68	343.04	2.07	-37.61
CC(C)(C)OC(=O)N1CCCC1CC(=O)NCC1=NN=N[N-]1	REAL300019679369	1	43	-1.0	-39.66	343.10	2.09	-37.57
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1NC(=O)OC(C)(C)C	REAL300019679370	0	43	-1.0	-44.31	352.11	2.44	-41.87
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300019679370	1	43	-1.0	-44.32	352.17	2.45	-41.87
CN1C(C(=O)NCC2=N[N-]N=N2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300019679371	0	33	-1.0	-36.00	301.44	3.75	-32.25
CN1C(C(=O)NCC2=NN=N[N-]2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300019679371	1	33	-1.0	-36.02	301.49	3.76	-32.26
CCCCCCCCCCCCCC(=O)NCC1=N[N-]N=N1	REAL300019679372	0	52	-1.0	-35.45	412.66	7.52	-27.93
CCCCCCCCCCCCCC(=O)NCC1=NN=N[N-]1	REAL300019679372	1	52	-1.0	-35.49	412.71	7.53	-27.96
CC(C)=CC(=O)NCC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679373	0	40	-1.0	-39.57	343.73	2.38	-37.19
CC(C)=CC(=O)NCC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679373	1	40	-1.0	-39.55	343.78	2.39	-37.16
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CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL300019679375	0	40	-1.0	-39.54	344.20	-0.12	-39.66
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCC2=NN=N[N-]2)O1	REAL300019679375	1	40	-1.0	-39.55	344.26	-0.11	-39.66
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300019679376	0	26	-1.0	-36.04	265.76	2.39	-33.65
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300019679376	1	26	-1.0	-36.00	265.81	2.40	-33.60
O=C(CCC1=NC2=CC(Br)=CC=C2S1)NCC1=N[N-]N=N1	REAL300019679377	0	31	-1.0	-37.81	310.60	2.76	-35.05
O=C(CCC1=NC2=CC(Br)=CC=C2S1)NCC1=NN=N[N-]1	REAL300019679377	1	31	-1.0	-37.84	310.66	2.78	-35.06
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019679378	0	38	-1.0	-51.24	323.96	0.44	-50.80
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019679378	1	38	-1.0	-51.23	324.02	0.46	-50.77
CN(CC(=O)NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300019679379	0	36	-1.0	-37.88	326.76	2.11	-35.77
CN(CC(=O)NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300019679379	1	36	-1.0	-37.85	326.81	2.12	-35.73
CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(Br)C=C1S(N)(=O)=O	REAL300019679380	0	31	-1.0	-38.75	296.62	-2.45	-41.20
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(Br)C=C1S(N)(=O)=O	REAL300019679380	1	31	-1.0	-38.74	296.68	-2.44	-41.18
CC1=CC2=C(C(=O)NCC3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019679381	0	38	-1.0	-37.36	318.82	4.32	-33.04
CC1=CC2=C(C(=O)NCC3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019679381	1	38	-1.0	-37.36	318.76	4.31	-33.05
CC(C)OC1=CC(Br)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679382	0	33	-1.0	-35.81	302.11	2.72	-33.09
CC(C)OC1=CC(Br)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679382	1	33	-1.0	-35.83	302.16	2.73	-33.10
CC(C)(C)OC(=O)N1CC(OCC(=O)NCC2=N[N-]N=N2)C1	REAL300019679383	0	41	-1.0	-48.94	345.06	0.86	-48.08
CC(C)(C)OC(=O)N1CC(OCC(=O)NCC2=NN=N[N-]2)C1	REAL300019679383	1	41	-1.0	-48.94	345.12	0.87	-48.07
CN1C=CN=C1CN1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL300019679384	0	41	-1.0	-42.34	326.91	0.86	-41.48
CN1C=CN=C1CN1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL300019679384	1	41	-1.0	-42.34	326.97	0.88	-41.46
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300019679385	0	36	-1.0	-40.24	318.82	3.47	-36.77
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300019679385	1	36	-1.0	-40.21	318.88	3.49	-36.72
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=N[N-]N=N2)CCC1	REAL300019679386	0	43	-1.0	-38.18	344.25	0.99	-37.19
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NN=N[N-]2)CCC1	REAL300019679386	1	43	-1.0	-38.21	344.31	1.00	-37.21
CC1=NN(CC2=CC=CC(Br)=C2)C(C)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679387	0	39	-1.0	-39.98	361.53	4.44	-35.54
CC1=NN(CC2=CC=CC(Br)=C2)C(C)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679387	1	39	-1.0	-39.97	361.59	4.45	-35.52
CC(C)OCCS(=O)(=O)NCC(=O)NCC1=N[N-]N=N1	REAL300019679388	0	37	-1.0	-42.64	329.93	-3.90	-46.54
CC(C)OCCS(=O)(=O)NCC(=O)NCC1=NN=N[N-]1	REAL300019679388	1	37	-1.0	-42.67	329.99	-3.88	-46.55
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300019679389	0	33	-1.0	-38.22	314.69	2.04	-36.18
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300019679389	1	33	-1.0	-38.19	314.63	2.02	-36.17
CC1=C(C2=CC=CC=C2)C=C(C(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL300019679390	0	36	-1.0	-49.94	313.14	2.57	-47.37
CC1=C(C2=CC=CC=C2)C=C(C(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL300019679390	1	36	-1.0	-49.95	313.19	2.59	-47.36
O=C(NCC1=N[N-]N=N1)C1CCCCN1CC1=CC=C(F)C=C1	REAL300019679391	0	41	-1.0	-36.21	334.68	2.63	-33.58
O=C(NCC1=NN=N[N-]1)C1CCCCN1CC1=CC=C(F)C=C1	REAL300019679391	1	41	-1.0	-36.21	334.73	2.64	-33.57
O=C(NCC1=N[N-]N=N1)C1CCCN1CC1=CC=C(F)C=C1	REAL300019679392	0	38	-1.0	-35.55	315.42	1.65	-33.90
O=C(NCC1=NN=N[N-]1)C1CCCN1CC1=CC=C(F)C=C1	REAL300019679392	1	38	-1.0	-35.55	315.48	1.66	-33.89
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019679393	0	33	-2.0	-74.65	321.35	-0.62	-75.27
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019679393	1	33	-2.0	-74.67	321.41	-0.61	-75.28
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1I	REAL300019679394	0	29	-1.0	-37.35	279.22	4.58	-32.77
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1I	REAL300019679394	1	29	-1.0	-37.37	279.27	4.60	-32.77
CC1C(=O)NC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2N1C	REAL300019679395	0	36	-1.0	-39.37	298.72	-1.04	-40.41
CC1C(=O)NC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C2N1C	REAL300019679395	1	36	-1.0	-39.35	298.77	-1.03	-40.38
CCOC1=CC=C(C2=NNC(=S)N2CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679396	0	43	-1.0	-40.21	376.36	4.41	-35.80
CCOC1=CC=C(C2=NNC(=S)N2CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679396	1	43	-1.0	-40.20	376.42	4.43	-35.77
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679396	1	42	-2.0	-86.27	372.94	4.25	-82.02
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679396	1	42	-2.0	-86.29	372.99	4.26	-82.03
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679397	0	39	-1.0	-40.37	346.56	4.85	-35.52
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679397	1	39	-1.0	-40.41	346.62	4.86	-35.55
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679397	1	38	-2.0	-88.20	343.26	4.69	-83.51
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679397	1	38	-2.0	-88.21	343.32	4.71	-83.50
O=C(NCC1=N[N-]N=N1)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300019679398	0	25	-1.0	-39.50	257.17	3.53	-35.97
O=C(NCC1=NN=N[N-]1)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300019679398	1	25	-1.0	-39.47	257.23	3.54	-35.93
O=C(CCC1=CC(Cl)=CC=C1Br)NCC1=N[N-]N=N1	REAL300019679399	0	29	-1.0	-35.61	291.54	3.72	-31.89
O=C(CCC1=CC(Cl)=CC=C1Br)NCC1=NN=N[N-]1	REAL300019679399	1	29	-1.0	-35.63	291.59	3.73	-31.90
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCC2=N[N-]N=N2)C1	REAL300019679400	0	40	-1.0	-38.80	332.43	1.30	-37.50
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCC2=NN=N[N-]2)C1	REAL300019679400	1	40	-1.0	-38.73	332.48	1.32	-37.41
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NCC1=N[N-]N=N1)C2	REAL300019679401	0	50	-1.0	-41.56	367.82	3.41	-38.15
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NCC1=NN=N[N-]1)C2	REAL300019679401	1	50	-1.0	-41.58	367.88	3.42	-38.16
CC1=CC=C(S(=O)(=O)C2(C(=O)NCC3=N[N-]N=N3)CCCC2)C=C1	REAL300019679402	0	42	-1.0	-43.34	352.76	2.45	-40.89
CC1=CC=C(S(=O)(=O)C2(C(=O)NCC3=NN=N[N-]3)CCCC2)C=C1	REAL300019679402	1	42	-1.0	-43.35	352.82	2.48	-40.87
CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCC1=N[N-]N=N1	REAL300019679403	0	43	-1.0	-43.78	363.33	2.52	-41.26
CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCC1=NN=N[N-]1	REAL300019679403	1	43	-1.0	-43.76	363.39	2.53	-41.23
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019679404	0	43	-1.0	-37.01	331.15	3.55	-33.46
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019679404	1	43	-1.0	-37.01	331.21	3.57	-33.44
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)NCC1=N[N-]N=N1	REAL300019679405	0	46	-1.0	-39.43	381.34	2.04	-37.39
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)NCC1=NN=N[N-]1	REAL300019679405	1	46	-1.0	-39.44	381.40	2.05	-37.39
CC1=CC2=C(C(=O)NCC3=N[N-]N=N3)C=C(C3CC3)N=C2C(C)=C1	REAL300019679406	0	41	-1.0	-37.60	338.86	5.13	-32.47
CC1=CC2=C(C(=O)NCC3=NN=N[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300019679406	1	41	-1.0	-37.63	338.92	5.15	-32.48
CNS(=O)(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL300019679407	0	31	-1.0	-40.73	285.84	-2.79	-43.52
CNS(=O)(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL300019679407	1	31	-1.0	-40.72	285.90	-2.78	-43.50
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL300019679408	0	45	-1.0	-38.19	369.09	7.49	-30.70
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NCC1=NN=N[N-]1	REAL300019679408	1	45	-1.0	-38.19	369.15	7.50	-30.69
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=C(Br)C=C1	REAL300019679409	0	33	-1.0	-41.18	314.51	3.46	-37.72
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=C(Br)C=C1	REAL300019679409	1	33	-1.0	-41.20	314.57	3.48	-37.72
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300019679410	0	29	-1.0	-36.78	284.03	3.43	-33.35
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300019679410	1	29	-1.0	-36.82	284.09	3.45	-33.37
CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(S(=O)(=O)N(C)C)O1	REAL300019679411	0	34	-1.0	-40.69	311.13	-1.95	-42.64
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300019679411	1	34	-1.0	-40.67	311.19	-1.93	-42.60
O=C(NCC1=NN=N[N-]1)C1=NC=CC=C1OCC(F)(F)F	REAL300019679412	0	29	-1.0	-47.74	277.77	1.49	-46.25
O=C(NCC1=N[N-]N=N1)C1=NC=CC=C1OCC(F)(F)F	REAL300019679412	1	29	-1.0	-47.72	277.71	1.47	-46.25
COC1=CC(OC)=CC(N2CC(C(=O)NCC3=N[N-]N=N3)CC2=O)=C1	REAL300019679413	0	42	-1.0	-42.32	349.83	0.79	-41.53
COC1=CC(OC)=CC(N2CC(C(=O)NCC3=NN=N[N-]3)CC2=O)=C1	REAL300019679413	1	42	-1.0	-42.35	349.89	0.80	-41.55
CCC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300019679414	0	35	-1.0	-35.89	312.39	4.05	-31.84
CCC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019679414	1	35	-1.0	-35.89	312.44	4.07	-31.82
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCC2=N[N-]N=N2)C1	REAL300019679415	0	43	-1.0	-43.20	344.51	1.83	-41.37
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCC2=NN=N[N-]2)C1	REAL300019679415	1	43	-1.0	-43.20	344.56	1.84	-41.36
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=N[N-]N=N2)=N1	REAL300019679416	0	33	-2.0	-99.95	307.50	1.49	-98.46
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=NN=N[N-]2)=N1	REAL300019679416	1	33	-2.0	-99.98	307.56	1.51	-98.47
CC1=C(C(=O)NCC2=N[N-]N=N2)C2=CC(Br)=CC=C2N=C1C1CC1	REAL300019679417	0	38	-1.0	-37.95	344.47	4.72	-33.23
CC1=C(C(=O)NCC2=NN=N[N-]2)C2=CC(Br)=CC=C2N=C1C1CC1	REAL300019679417	1	38	-1.0	-37.94	344.52	4.74	-33.20
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300019679418	0	35	-1.0	-45.71	312.82	-0.01	-45.72
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300019679418	1	35	-1.0	-45.70	312.88	-0.00	-45.70
CC(=CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL300019679419	0	34	-1.0	-38.74	304.90	2.87	-35.87
CC(=CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL300019679419	1	34	-1.0	-38.74	304.95	2.88	-35.86
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1	REAL300019679420	0	34	-1.0	-36.16	324.56	4.73	-31.43
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1	REAL300019679420	1	34	-1.0	-36.18	324.62	4.75	-31.43
CNS(=O)(=O)C1=CSC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679421	0	28	-1.0	-41.61	281.63	-3.62	-45.23
CNS(=O)(=O)C1=CSC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679421	1	28	-1.0	-41.66	281.68	-3.61	-45.27
CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679422	0	40	-1.0	-41.84	346.81	-0.27	-42.11
CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679422	1	40	-1.0	-41.83	346.86	-0.26	-42.09
CNS(=O)(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=C(C)O1	REAL300019679423	0	31	-1.0	-41.22	292.24	-3.76	-44.98
CNS(=O)(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=C(C)O1	REAL300019679423	1	31	-1.0	-41.21	292.30	-3.75	-44.96
CC1=C(Br)SC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679424	0	23	-1.0	-34.48	244.81	1.57	-32.91
CC1=C(Br)SC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679424	1	23	-1.0	-34.46	244.87	1.58	-32.88
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019679425	0	41	-1.0	-45.43	349.22	5.87	-39.56
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019679425	1	41	-1.0	-45.44	349.28	5.89	-39.55
COC1=CC=C(OC)C(C(F)(F)C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679426	0	34	-1.0	-39.90	302.56	0.71	-39.19
COC1=CC=C(OC)C(C(F)(F)C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679426	1	34	-1.0	-39.90	302.51	0.70	-39.20
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300019679427	0	35	-1.0	-37.22	315.35	2.14	-35.08
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300019679427	1	35	-1.0	-37.22	315.29	2.12	-35.10
O=C(NCC1=NN=N[N-]1)C1=CC=CN2C(I)=CN=C12	REAL300019679428	0	26	-1.0	-45.42	265.44	3.33	-42.09
O=C(NCC1=N[N-]N=N1)C1=CC=CN2C(I)=CN=C12	REAL300019679428	1	26	-1.0	-45.45	265.39	3.32	-42.13
O=C(NCC1=N[N-]N=N1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300019679429	0	33	-1.0	-39.28	303.63	3.48	-35.80
O=C(NCC1=NN=N[N-]1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300019679429	1	33	-1.0	-39.28	303.69	3.49	-35.79
CC(C)(C)OC(=O)NCCCN1C=CC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL300019679430	0	53	-1.0	-45.17	435.15	4.44	-40.73
CC(C)(C)OC(=O)NCCCN1C=CC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL300019679430	1	53	-1.0	-45.20	435.20	4.45	-40.75
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=CC=C1OC(F)F	REAL300019679431	0	27	-1.0	-37.95	265.36	2.59	-35.36
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=CC=C1OC(F)F	REAL300019679431	1	27	-1.0	-37.98	265.42	2.61	-35.37
COC1=CC=C(C2=NNC(C(=O)NCC3=N[N-]N=N3)=C2)C=C1OC	REAL300019679432	0	38	-1.0	-38.73	331.67	0.49	-38.24
COC1=CC=C(C2=NNC(C(=O)NCC3=NN=N[N-]3)=C2)C=C1OC	REAL300019679432	1	38	-1.0	-38.72	331.73	0.50	-38.22
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679433	0	36	-1.0	-43.12	339.45	4.05	-39.07
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679433	1	36	-1.0	-43.13	339.51	4.07	-39.06
O=C(CCC1=CC=C(Br)C=C1)NCC1=N[N-]N=N1	REAL300019679434	0	29	-1.0	-35.43	278.88	3.36	-32.07
O=C(CCC1=CC=C(Br)C=C1)NCC1=NN=N[N-]1	REAL300019679434	1	29	-1.0	-35.41	278.93	3.37	-32.04
O=C(NCC1=N[N-]N=N1)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl	REAL300019679435	0	35	-1.0	-43.76	329.84	-0.02	-43.78
O=C(NCC1=NN=N[N-]1)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl	REAL300019679435	1	35	-1.0	-43.74	329.90	-0.00	-43.74
COC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL300019679436	0	30	-1.0	-37.53	279.49	1.49	-36.04
COC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL300019679436	1	30	-1.0	-37.48	279.43	1.47	-36.01
COC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]CC1=N[N-]N=N1	REAL300019679436	1	29	-2.0	-108.57	277.07	-0.05	-108.62
COCCOC1=CC=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679437	0	34	-1.0	-43.20	311.09	2.48	-40.72
COCCOC1=CC=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679437	1	34	-1.0	-43.20	311.14	2.49	-40.71
CC(C)(C)OC(=O)N1CCN(CCC(=O)NCC2=N[N-]N=N2)CC1	REAL300019679438	0	48	-1.0	-39.07	376.21	0.56	-38.51
CC(C)(C)OC(=O)N1CCN(CCC(=O)NCC2=NN=N[N-]2)CC1	REAL300019679438	1	48	-1.0	-39.06	376.27	0.57	-38.49
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2=NN=N[N-]2)CC1	REAL300019679438	1	49	0.0	-62.07	378.58	2.77	-59.30
O=C(NCC1=N[N-]N=N1)C1=CC=C(CS(=O)(=O)C(F)F)C=C1	REAL300019679439	0	32	-1.0	-44.26	309.64	-0.15	-44.41
O=C(NCC1=NN=N[N-]1)C1=CC=C(CS(=O)(=O)C(F)F)C=C1	REAL300019679439	1	32	-1.0	-44.28	309.69	-0.14	-44.42
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1S(=O)(=O)NC1CCCC1	REAL300019679440	0	44	-1.0	-43.09	368.35	1.18	-41.91
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300019679440	1	44	-1.0	-43.10	368.41	1.20	-41.90
O=C(NCC1=N[N-]N=N1)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1	REAL300019679441	0	36	-1.0	-40.12	325.98	3.24	-36.88
O=C(NCC1=NN=N[N-]1)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1	REAL300019679441	1	36	-1.0	-40.14	326.04	3.25	-36.89
O=C(NCC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300019679442	0	43	-1.0	-39.66	327.36	5.54	-34.12
O=C(NCC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300019679442	1	43	-1.0	-39.66	327.40	5.54	-34.12
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300019679443	0	34	-1.0	-38.30	316.97	4.64	-33.66
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300019679443	1	34	-1.0	-38.28	317.03	4.65	-33.63
N#CC1=CC=CC=C1SC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679444	0	35	-1.0	-41.75	330.94	5.57	-36.18
N#CC1=CC=CC=C1SC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679444	1	35	-1.0	-41.74	331.00	5.59	-36.15
O=C(NCC1=NN=N[N-]1)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300019679445	0	32	-1.0	-35.33	317.10	3.17	-32.16
O=C(NCC1=N[N-]N=N1)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300019679445	1	32	-1.0	-35.30	317.04	3.15	-32.15
O=C(NCC1=N[N-]N=N1)C1=CC=C(I)C(Cl)=C1	REAL300019679446	0	23	-1.0	-33.99	253.70	2.78	-31.21
O=C(NCC1=NN=N[N-]1)C1=CC=C(I)C(Cl)=C1	REAL300019679446	1	23	-1.0	-33.99	253.76	2.80	-31.19
O=C(CN1C=C(C(=O)NCC2=NN=N[N-]2)C=N1)NC1CCCCC1	REAL300019679447	0	43	-1.0	-49.25	359.32	1.14	-48.11
O=C(CN1C=C(C(=O)NCC2=N[N-]N=N2)C=N1)NC1CCCCC1	REAL300019679447	1	43	-1.0	-49.25	359.26	1.12	-48.13
O=C(NCC1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL300019679448	0	30	-1.0	-41.85	288.19	4.04	-37.81
O=C(NCC1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL300019679448	1	30	-1.0	-41.82	288.14	4.02	-37.80
CC1(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)NC(=O)NC1=O	REAL300019679449	0	35	-1.0	-40.95	307.55	-1.71	-42.66
CC1(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)NC(=O)NC1=O	REAL300019679449	1	35	-1.0	-40.94	307.60	-1.69	-42.63
CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC1=N[N-]N=N1	REAL300019679450	0	57	-1.0	-41.16	456.54	1.17	-39.99
CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC1=NN=N[N-]1	REAL300019679450	1	57	-1.0	-41.17	456.60	1.18	-39.99
COC1=C2OC(C(=O)NCC3=N[N-]N=N3)=CC2=C(C=O)C=C1	REAL300019679451	0	32	-1.0	-40.79	295.46	0.67	-40.12
COC1=C2OC(C(=O)NCC3=NN=N[N-]3)=CC2=C(C=O)C=C1	REAL300019679451	1	32	-1.0	-40.81	295.52	0.68	-40.13
O=C(NCC1=N[N-]N=N1)C1=CC(=O)NC2=C(Br)C=CC=C12	REAL300019679452	0	29	-1.0	-36.86	276.86	1.04	-35.82
O=C(NCC1=NN=N[N-]1)C1=CC(=O)NC2=C(Br)C=CC=C12	REAL300019679452	1	29	-1.0	-36.82	276.92	1.06	-35.76
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)NCC1=NN=N[N-]1	REAL300019679453	0	35	-1.0	-37.40	328.11	3.60	-33.80
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)NCC1=N[N-]N=N1	REAL300019679453	1	35	-1.0	-37.39	328.05	3.59	-33.80
COC(=O)COC1=C(C)C=C(C(=O)NCC2=N[N-]N=N2)C=C1C	REAL300019679454	0	39	-1.0	-40.07	341.42	3.71	-36.36
COC(=O)COC1=C(C)C=C(C(=O)NCC2=NN=N[N-]2)C=C1C	REAL300019679454	1	39	-1.0	-40.08	341.48	3.73	-36.35
CC1=CC=C(SC2(C(=O)NCC3=N[N-]N=N3)CCCC2)C=C1	REAL300019679455	0	40	-1.0	-36.87	328.96	5.21	-31.66
CC1=CC=C(SC2(C(=O)NCC3=NN=N[N-]3)CCCC2)C=C1	REAL300019679455	1	40	-1.0	-36.88	329.02	5.22	-31.66
O=C(NCC1=N[N-]N=N1)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21	REAL300019679456	0	35	-1.0	-35.67	314.10	4.15	-31.52
O=C(NCC1=NN=N[N-]1)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21	REAL300019679456	1	35	-1.0	-35.68	314.16	4.17	-31.51
O=C(CCSC1=CC=NC2=CC(Cl)=CC=C21)NCC1=NN=N[N-]1	REAL300019679457	0	35	-1.0	-37.07	331.25	3.97	-33.10
O=C(CCSC1=CC=NC2=CC(Cl)=CC=C21)NCC1=N[N-]N=N1	REAL300019679457	1	35	-1.0	-37.06	331.19	3.95	-33.11
O=C(CC1=CC=CC(I)=C1)NCC1=N[N-]N=N1	REAL300019679458	0	26	-1.0	-36.58	263.96	3.02	-33.56
O=C(CC1=CC=CC(I)=C1)NCC1=NN=N[N-]1	REAL300019679458	1	26	-1.0	-36.61	264.02	3.03	-33.58
O=C(NCC1=N[N-]N=N1)C1=CC(F)=CC([N+](=O)[O-])=C1Br	REAL300019679459	0	25	-1.0	-33.99	257.29	2.44	-31.55
O=C(NCC1=NN=N[N-]1)C1=CC(F)=CC([N+](=O)[O-])=C1Br	REAL300019679459	1	25	-1.0	-33.99	257.35	2.45	-31.54
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679460	0	39	-1.0	-40.32	356.96	4.34	-35.98
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679460	1	39	-1.0	-40.30	357.02	4.36	-35.94
O=C(NCC1=N[N-]N=N1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300019679461	0	40	-1.0	-36.71	311.48	3.90	-32.81
O=C(NCC1=NN=N[N-]1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300019679461	1	40	-1.0	-36.71	311.54	3.91	-32.80
COC1=CC=C(C(=O)CCC(=O)NCC2=N[N-]N=N2)C=C1F	REAL300019679462	0	35	-1.0	-39.47	313.40	1.95	-37.52
COC1=CC=C(C(=O)CCC(=O)NCC2=NN=N[N-]2)C=C1F	REAL300019679462	1	35	-1.0	-39.44	313.45	1.97	-37.47
CC1=CC(CCC(=O)NCC2=N[N-]N=N2)=CC=C1Br	REAL300019679463	0	32	-1.0	-35.57	297.09	3.92	-31.65
CC1=CC(CCC(=O)NCC2=NN=N[N-]2)=CC=C1Br	REAL300019679463	1	32	-1.0	-35.60	297.15	3.93	-31.67
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679464	0	47	-1.0	-43.42	407.28	-0.55	-43.97
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679464	1	47	-1.0	-43.44	407.34	-0.53	-43.97
CS(=O)(=O)NCC1=CC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL300019679465	0	31	-1.0	-50.91	296.23	-3.76	-54.67
CS(=O)(=O)NCC1=CC=C(C(=O)NCC2=NN=N[N-]2)O1	REAL300019679465	1	31	-1.0	-50.88	296.29	-3.74	-54.62
CN(C)C1=CC=C(C2=CN=CC(C(=O)NCC3=NN=N[N-]3)=C2)C=C1	REAL300019679466	0	40	-1.0	-38.63	332.02	3.29	-35.34
CN(C)C1=CC=C(C2=CN=CC(C(=O)NCC3=N[N-]N=N3)=C2)C=C1	REAL300019679466	1	40	-1.0	-38.64	331.96	3.27	-35.37
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL300019679467	0	43	-1.0	-42.32	372.57	2.22	-40.10
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NCC1=NN=N[N-]1	REAL300019679467	1	43	-1.0	-42.32	372.63	2.23	-40.09
CC(C)CN(CC(=O)NCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019679468	0	45	-1.0	-40.47	360.28	3.39	-37.08
CC(C)CN(CC(=O)NCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019679468	1	45	-1.0	-40.45	360.34	3.40	-37.05
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679469	0	40	-1.0	-37.31	348.91	2.71	-34.60
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679469	1	40	-1.0	-37.32	348.97	2.72	-34.60
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679470	0	35	-1.0	-42.42	327.39	-1.39	-43.81
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679470	1	35	-1.0	-42.37	327.44	-1.38	-43.75
CC(CC(=O)NCC1=N[N-]N=N1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300019679471	0	52	-1.0	-39.78	393.87	3.99	-35.79
CC(CC(=O)NCC1=NN=N[N-]1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300019679471	1	52	-1.0	-39.76	393.93	4.00	-35.76
O=C(NCC1=N[N-]N=N1)C1=CC=C(F)C(I)=C1	REAL300019679472	0	23	-1.0	-34.36	244.84	2.38	-31.98
O=C(NCC1=NN=N[N-]1)C1=CC=C(F)C(I)=C1	REAL300019679472	1	23	-1.0	-34.40	244.90	2.40	-32.00
CC(CC1=CC=C(F)C(Br)=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679473	0	32	-1.0	-35.63	299.96	3.86	-31.77
CC(CC1=CC=C(F)C(Br)=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679473	1	32	-1.0	-35.69	300.01	3.88	-31.81
CN1C=NC(S(=O)(=O)NCC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679474	0	31	-1.0	-46.05	294.35	-3.27	-49.32
CN1C=NC(S(=O)(=O)NCC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679474	1	31	-1.0	-46.03	294.30	-3.29	-49.32
CC1=CC=C(N2N=C(Br)CC2C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679475	0	35	-1.0	-37.93	321.02	2.99	-34.94
CC1=CC=C(N2N=C(Br)CC2C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679475	1	35	-1.0	-37.92	321.08	3.00	-34.92
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)NCC1=N[N-]N=N1	REAL300019679476	0	28	-1.0	-38.21	282.06	3.07	-35.14
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)NCC1=NN=N[N-]1	REAL300019679476	1	28	-1.0	-38.17	282.12	3.08	-35.09
O=C(NCC1=N[N-]N=N1)C1=CN=C(CC2=CC=CC=C2)S1	REAL300019679477	0	32	-1.0	-36.57	302.06	2.87	-33.70
O=C(NCC1=NN=N[N-]1)C1=CN=C(CC2=CC=CC=C2)S1	REAL300019679477	1	32	-1.0	-36.55	302.12	2.89	-33.66
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NCC2=N[N-]N=N2)S1	REAL300019679478	0	33	-1.0	-36.98	308.37	4.60	-32.38
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NCC2=NN=N[N-]2)S1	REAL300019679478	1	33	-1.0	-37.00	308.43	4.61	-32.39
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1	REAL300019679479	0	37	-1.0	-42.82	339.52	4.55	-38.27
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1	REAL300019679479	1	37	-1.0	-42.84	339.47	4.54	-38.30
O=C(NCC1=N[N-]N=N1)C1=C(F)C=C(Br)C=C1F	REAL300019679480	0	23	-1.0	-36.79	249.13	1.82	-34.97
O=C(NCC1=NN=N[N-]1)C1=C(F)C=C(Br)C=C1F	REAL300019679480	1	23	-1.0	-36.81	249.18	1.84	-34.97
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F	REAL300019679481	0	33	-1.0	-40.32	310.08	1.45	-38.87
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F	REAL300019679481	1	33	-1.0	-40.31	310.14	1.46	-38.85
CC(CS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679482	0	35	-1.0	-39.51	332.47	1.12	-38.39
CC(CS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679482	1	35	-1.0	-39.51	332.53	1.13	-38.38
CS(=O)(=O)C1=CC(C(=O)NCC2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300019679483	0	29	-1.0	-42.28	294.49	-0.32	-42.60
CS(=O)(=O)C1=CC(C(=O)NCC2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300019679483	1	29	-1.0	-42.29	294.55	-0.31	-42.60
O=C(NCC1=N[N-]N=N1)C1=CNN=C1C1=CC=CC(Cl)=C1	REAL300019679484	0	30	-1.0	-40.06	284.18	1.78	-38.28
O=C(NCC1=NN=N[N-]1)C1=CNN=C1C1=CC=CC(Cl)=C1	REAL300019679484	1	30	-1.0	-40.09	284.23	1.79	-38.30
O=C(NCC1=N[N-]N=N1)C1=CNN=C1C1=CC=CC=C1Cl	REAL300019679485	0	30	-1.0	-40.16	285.08	1.76	-38.40
O=C(NCC1=NN=N[N-]1)C1=CNN=C1C1=CC=CC=C1Cl	REAL300019679485	1	30	-1.0	-40.16	285.14	1.78	-38.38
O=C(CCC(=O)C1=C(Cl)SC(Cl)=C1)NCC1=N[N-]N=N1	REAL300019679486	0	28	-1.0	-36.60	299.98	2.77	-33.83
O=C(CCC(=O)C1=C(Cl)SC(Cl)=C1)NCC1=NN=N[N-]1	REAL300019679486	1	28	-1.0	-36.55	300.04	2.78	-33.77
O=C(CCC(=O)C1=CSC2=CC=CC=C12)NCC1=N[N-]N=N1	REAL300019679487	0	34	-1.0	-40.14	311.52	3.90	-36.24
O=C(CCC(=O)C1=CSC2=CC=CC=C12)NCC1=NN=N[N-]1	REAL300019679487	1	34	-1.0	-40.16	311.58	3.92	-36.24
O=C(CCCC1=CSC2=CC=CC=C12)NCC1=N[N-]N=N1	REAL300019679488	0	35	-1.0	-39.20	315.43	4.86	-34.34
O=C(CCCC1=CSC2=CC=CC=C12)NCC1=NN=N[N-]1	REAL300019679488	1	35	-1.0	-39.21	315.50	4.88	-34.33
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679489	0	33	-1.0	-34.85	308.48	3.06	-31.79
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679489	1	33	-1.0	-34.86	308.43	3.05	-31.81
O=C(CCCC1=C(Cl)SC(Cl)=C1)NCC1=N[N-]N=N1	REAL300019679490	0	29	-1.0	-36.66	301.48	3.61	-33.05
O=C(CCCC1=C(Cl)SC(Cl)=C1)NCC1=NN=N[N-]1	REAL300019679490	1	29	-1.0	-36.67	301.54	3.63	-33.04
O=C(NCC1=N[N-]N=N1)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300019679491	0	41	-1.0	-45.72	352.34	3.55	-42.17
O=C(NCC1=NN=N[N-]1)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300019679491	1	41	-1.0	-45.77	352.40	3.57	-42.20
CC1=CC(I)=CC(C(=O)NCC2=N[N-]N=N2)=C1C	REAL300019679492	0	29	-1.0	-35.87	272.24	3.55	-32.32
CC1=CC(I)=CC(C(=O)NCC2=NN=N[N-]2)=C1C	REAL300019679492	1	29	-1.0	-35.84	272.30	3.56	-32.28
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=N[N-]N=N3)=N2)C=C1	REAL300019679493	0	39	-2.0	-103.56	339.95	2.38	-101.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=NN=N[N-]3)=N2)C=C1	REAL300019679493	1	39	-2.0	-103.60	340.00	2.40	-101.20
O=CC1=CC=C(OCCN2C=C(C(=O)NCC3=NN=N[N-]3)N=N2)C(Cl)=C1	REAL300019679494	0	38	-1.0	-46.09	363.33	1.34	-44.75
O=CC1=CC=C(OCCN2C=C(C(=O)NCC3=N[N-]N=N3)N=N2)C(Cl)=C1	REAL300019679494	1	38	-1.0	-46.07	363.28	1.32	-44.75
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1I	REAL300019679495	0	27	-1.0	-36.51	267.64	1.70	-34.81
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1I	REAL300019679495	1	27	-1.0	-36.46	267.69	1.71	-34.75
CC1=CC=C(I)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679496	0	26	-1.0	-35.85	255.42	3.02	-32.83
CC1=CC=C(I)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679496	1	26	-1.0	-35.85	255.47	3.03	-32.82
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679497	0	34	-1.0	-43.33	311.25	-4.10	-47.43
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679497	1	34	-1.0	-43.33	311.19	-4.12	-47.45
COC(=O)NC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019679498	0	34	-1.0	-41.16	317.78	0.48	-40.68
COC(=O)NC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019679498	1	34	-1.0	-41.15	317.84	0.50	-40.65
O=C(NCC1=N[N-]N=N1)C1=CC=C(Br)C(Cl)=C1	REAL300019679499	0	23	-1.0	-34.17	247.65	2.32	-31.85
O=C(NCC1=NN=N[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300019679499	1	23	-1.0	-34.16	247.71	2.34	-31.82
COC1=C(S(N)(=O)=O)SC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679500	0	29	-1.0	-40.83	288.32	-5.40	-46.23
COC1=C(S(N)(=O)=O)SC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679500	1	29	-1.0	-40.83	288.38	-5.38	-46.21
CCCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019679501	0	54	-1.0	-37.67	428.32	1.00	-36.67
CCCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019679501	1	54	-1.0	-37.65	428.38	1.01	-36.64
CC1=CC=C(N2N=C(Br)C=C2C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679502	0	33	-1.0	-35.83	311.80	3.39	-32.44
CC1=CC=C(N2N=C(Br)C=C2C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679502	1	33	-1.0	-35.82	311.74	3.37	-32.45
CC1=C(C(=O)NCC2=N[N-]N=N2)C(=O)OC2=CC=C(Br)C=C21	REAL300019679503	0	31	-1.0	-44.61	291.91	3.87	-40.74
CC1=C(C(=O)NCC2=NN=N[N-]2)C(=O)OC2=CC=C(Br)C=C21	REAL300019679503	1	31	-1.0	-44.60	291.96	3.89	-40.71
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679504	0	35	-1.0	-39.83	317.58	0.56	-39.27
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679504	1	35	-1.0	-39.84	317.64	0.58	-39.26
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)NCC1=NN=N[N-]1)S2	REAL300019679505	0	39	-1.0	-39.70	344.62	5.20	-34.50
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)NCC1=N[N-]N=N1	REAL300019679506	0	33	-1.0	-41.15	300.69	0.78	-40.37
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)NCC1=NN=N[N-]1	REAL300019679506	1	33	-1.0	-41.18	300.75	0.80	-40.38
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O=C(CCC(=O)N1CCN(C2=CC=CC=N2)CC1)NCC1=NN=N[N-]1	REAL300019679508	1	44	-1.0	-41.88	361.17	1.63	-40.25
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O=C(CCC(=O)N1CCN(C2=CC=CC=C2)CC1)NCC1=NN=N[N-]1	REAL300019679509	1	45	-1.0	-39.18	363.52	2.21	-36.97
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CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679511	0	38	-1.0	-45.49	341.08	-5.00	-50.49
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679511	1	38	-1.0	-45.50	341.13	-4.99	-50.49
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)NCC1=NN=N[N-]1	REAL300019679512	0	43	-1.0	-42.63	357.54	1.87	-40.76
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)NCC1=N[N-]N=N1	REAL300019679512	1	43	-1.0	-42.64	357.48	1.86	-40.78
COC1=CC2=C(C=C1OC)CN(C(=O)CCC(=O)NCC1=N[N-]N=N1)CC2	REAL300019679513	0	48	-1.0	-42.51	392.37	2.61	-39.90
COC1=CC2=C(C=C1OC)CN(C(=O)CCC(=O)NCC1=NN=N[N-]1)CC2	REAL300019679513	1	48	-1.0	-42.50	392.43	2.63	-39.87
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NCC2=N[N-]N=N2)O1	REAL300019679514	0	34	-1.0	-42.41	306.83	-2.14	-44.55
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NCC2=NN=N[N-]2)O1	REAL300019679514	1	34	-1.0	-42.39	306.88	-2.12	-44.51
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300019679515	0	25	-1.0	-33.70	261.05	2.53	-31.17
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300019679515	1	25	-1.0	-33.71	261.11	2.54	-31.17
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679516	0	49	0.0	-61.71	404.70	1.01	-60.70
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679516	1	49	0.0	-61.71	404.76	1.03	-60.68
COC1=CC=C(C2=CN=CC(C(=O)NCC3=NN=N[N-]3)=C2)C=C1	REAL300019679517	0	36	-1.0	-38.24	310.44	2.19	-36.05
COC1=CC=C(C2=CN=CC(C(=O)NCC3=N[N-]N=N3)=C2)C=C1	REAL300019679517	1	36	-1.0	-38.24	310.39	2.18	-36.06
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NCC1=N[N-]N=N1	REAL300019679518	0	33	-1.0	-40.20	307.12	2.61	-37.59
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NCC1=NN=N[N-]1	REAL300019679518	1	33	-1.0	-40.19	307.17	2.63	-37.56
O=C(NCC1=N[N-]N=N1)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300019679519	0	26	-1.0	-33.89	266.98	2.72	-31.17
O=C(NCC1=NN=N[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300019679519	1	26	-1.0	-33.86	267.04	2.74	-31.12
CC1=CC=CC(I)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679520	0	26	-1.0	-38.30	260.99	2.61	-35.69
CC1=CC=CC(I)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679520	1	26	-1.0	-38.29	261.04	2.63	-35.66
O=C(NCC1=NN=N[N-]1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300019679521	0	32	-1.0	-36.81	297.72	3.42	-33.39
O=C(NCC1=N[N-]N=N1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300019679521	1	32	-1.0	-36.82	297.66	3.40	-33.42
CCC(CC1=CC=CC=C1Br)C(=O)NCC1=N[N-]N=N1	REAL300019679522	0	35	-1.0	-36.39	300.42	4.69	-31.70
CCC(CC1=CC=CC=C1Br)C(=O)NCC1=NN=N[N-]1	REAL300019679522	1	35	-1.0	-36.37	300.48	4.71	-31.66
O=C(NCC1=NN=N[N-]1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300019679523	0	37	-1.0	-38.97	316.93	2.75	-36.22
O=C(NCC1=N[N-]N=N1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300019679523	1	37	-1.0	-38.96	316.87	2.74	-36.22
COC1=CC=C(Br)C(CC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679524	0	30	-1.0	-38.44	283.35	1.69	-36.75
COC1=CC=C(Br)C(CC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679524	1	30	-1.0	-38.42	283.41	1.70	-36.72
CC1=CC2=C(N3CCCC3C(=O)NCC3=NN=N[N-]3)N=CN=C2S1	REAL300019679525	0	39	-1.0	-43.17	337.84	3.20	-39.97
CC1=CC2=C(N3CCCC3C(=O)NCC3=N[N-]N=N3)N=CN=C2S1	REAL300019679525	1	39	-1.0	-43.15	337.78	3.18	-39.97
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NCC3=N[N-]N=N3)S2)C=C1	REAL300019679526	0	38	-1.0	-46.65	344.99	1.69	-44.96
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NCC3=NN=N[N-]3)S2)C=C1	REAL300019679526	1	38	-1.0	-46.65	345.05	1.71	-44.94
O=C(NCC1=NN=N[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300019679527	0	33	-1.0	-40.26	317.40	2.28	-37.98
O=C(NCC1=N[N-]N=N1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300019679527	1	33	-1.0	-40.26	317.34	2.26	-38.00
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300019679528	0	42	-1.0	-37.54	348.01	6.31	-31.23
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300019679528	1	42	-1.0	-37.58	348.07	6.33	-31.25
O=C(NCC1=N[N-]N=N1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300019679529	0	30	-1.0	-40.43	282.47	1.93	-38.50
O=C(NCC1=NN=N[N-]1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300019679529	1	30	-1.0	-40.37	282.53	1.95	-38.42
O=C(NCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1Br	REAL300019679530	0	26	-1.0	-36.31	266.53	2.87	-33.44
O=C(NCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1Br	REAL300019679530	1	26	-1.0	-36.32	266.59	2.88	-33.44
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NCC1=N[N-]N=N1	REAL300019679531	0	37	-1.0	-45.09	331.09	2.22	-42.87
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NCC1=NN=N[N-]1	REAL300019679531	1	37	-1.0	-45.11	331.14	2.23	-42.88
O=C(NCC1=N[N-]N=N1)C1=CC=C(SC2CCOC2=O)C=C1	REAL300019679532	0	34	-1.0	-44.12	303.98	3.38	-40.74
O=C(NCC1=NN=N[N-]1)C1=CC=C(SC2CCOC2=O)C=C1	REAL300019679532	1	34	-1.0	-44.16	304.03	3.40	-40.76
CC1=NC(NCC(=O)NCC2=N[N-]N=N2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300019679533	0	42	-1.0	-38.13	375.48	4.33	-33.80
CC1=NC(NCC(=O)NCC2=NN=N[N-]2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300019679533	1	42	-1.0	-38.11	375.54	4.34	-33.77
COC1=CC=C(C(C)(C)C(=O)NCC2=N[N-]N=N2)C=C1OC	REAL300019679534	0	40	-1.0	-40.15	325.53	2.04	-38.11
COC1=CC=C(C(C)(C)C(=O)NCC2=NN=N[N-]2)C=C1OC	REAL300019679534	1	40	-1.0	-40.16	325.59	2.05	-38.11
CC1(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)NC(=O)NC1=O	REAL300019679535	0	35	-1.0	-39.51	305.99	-2.02	-41.53
CC1(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)NC(=O)NC1=O	REAL300019679535	1	35	-1.0	-39.51	306.04	-2.01	-41.52
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NCC1=N[N-]N=N1)C2=O	REAL300019679536	0	44	-1.0	-42.87	346.07	1.44	-41.43
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NCC1=NN=N[N-]1)C2=O	REAL300019679536	1	44	-1.0	-42.86	346.13	1.46	-41.40
O=C(NCC1=N[N-]N=N1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300019679537	0	27	-1.0	-41.44	266.88	0.78	-40.66
O=C(NCC1=NN=N[N-]1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300019679537	1	27	-1.0	-41.42	266.93	0.79	-40.63
O=C(NCC1=N[N-]N=N1)C1=C(C(F)F)N(CCO)N=C1C(F)(F)F	REAL300019679538	0	33	-1.0	-39.78	316.16	-2.26	-42.04
O=C(NCC1=NN=N[N-]1)C1=C(C(F)F)N(CCO)N=C1C(F)(F)F	REAL300019679538	1	33	-1.0	-39.79	316.22	-2.24	-42.03
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)NCC1=NN=N[N-]1	REAL300019679539	0	34	-1.0	-44.50	311.13	2.83	-41.67
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)NCC1=N[N-]N=N1	REAL300019679539	1	34	-1.0	-44.49	311.07	2.81	-41.68
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCC2=N[N-]N=N2)S1	REAL300019679540	0	39	-2.0	-87.52	351.19	-0.01	-87.53
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCC2=NN=N[N-]2)S1	REAL300019679540	1	39	-2.0	-87.52	351.24	0.00	-87.52
CC(C)CC1=NN=C(NC(=O)CCC(=O)NCC2=N[N-]N=N2)S1	REAL300019679540	1	40	-1.0	-46.03	355.78	1.25	-44.78
O=C(NCC1=N[N-]N=N1)C1=CC(I)=CC=C1F	REAL300019679541	0	23	-1.0	-37.34	243.89	2.42	-34.92
O=C(NCC1=NN=N[N-]1)C1=CC(I)=CC=C1F	REAL300019679541	1	23	-1.0	-37.36	243.95	2.44	-34.92
O=C(NCC1=N[N-]N=N1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300019679542	0	30	-1.0	-37.59	289.98	3.90	-33.69
O=C(NCC1=NN=N[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300019679542	1	30	-1.0	-37.59	290.04	3.92	-33.67
O=C(NCC1=NN=N[N-]1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300019679543	0	32	-1.0	-43.55	300.57	1.49	-42.06
O=C(NCC1=N[N-]N=N1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300019679543	1	32	-1.0	-43.56	300.51	1.48	-42.08
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1	REAL300019679544	0	34	-1.0	-39.72	333.25	6.36	-33.36
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1	REAL300019679544	1	34	-1.0	-39.76	333.31	6.37	-33.39
O=C(NCC1=N[N-]N=N1)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300019679545	0	36	-1.0	-39.69	340.20	6.00	-33.69
O=C(NCC1=NN=N[N-]1)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300019679545	1	36	-1.0	-39.71	340.25	6.01	-33.70
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(SC2=CC=CC=C2)=N1	REAL300019679546	0	36	-1.0	-40.15	326.45	4.40	-35.75
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(SC2=CC=CC=C2)=N1	REAL300019679546	1	36	-1.0	-40.10	326.51	4.41	-35.69
NC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679547	0	41	-1.0	-46.97	363.83	-1.89	-48.86
NC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679547	1	41	-1.0	-46.92	363.88	-1.87	-48.79
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679548	0	42	-1.0	-38.56	349.90	4.41	-34.15
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679548	1	42	-1.0	-38.52	349.96	4.42	-34.10
O=C(NCC1=NN=N[N-]1)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1	REAL300019679549	0	33	-1.0	-38.36	318.89	3.01	-35.35
O=C(NCC1=N[N-]N=N1)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1	REAL300019679549	1	33	-1.0	-38.33	318.83	3.00	-35.33
O=C(NCC1=N[N-]N=N1)C1=CNC2=CC=C(I)C=C2C1=O	REAL300019679550	0	29	-1.0	-54.97	288.35	2.45	-52.52
O=C(NCC1=NN=N[N-]1)C1=CNC2=CC=C(I)C=C2C1=O	REAL300019679550	1	29	-1.0	-54.93	288.40	2.47	-52.46
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=N[N-]N=N2)N=NS1	REAL300019679551	0	35	-1.0	-35.87	312.81	-1.75	-37.62
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=NN=N[N-]2)N=NS1	REAL300019679551	1	35	-1.0	-35.88	312.87	-1.74	-37.62
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1COC1CCOCC1	REAL300019679552	0	41	-1.0	-36.98	334.39	2.41	-34.57
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1COC1CCOCC1	REAL300019679552	1	41	-1.0	-37.03	334.44	2.43	-34.60
CCN1N=C(C(F)(F)F)C(C(=O)NCC2=N[N-]N=N2)=C1C(F)F	REAL300019679553	0	32	-1.0	-40.54	304.75	1.09	-39.45
CCN1N=C(C(F)(F)F)C(C(=O)NCC2=NN=N[N-]2)=C1C(F)F	REAL300019679553	1	32	-1.0	-40.55	304.81	1.11	-39.44
O=C(NCC1=N[N-]N=N1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL300019679554	0	30	-1.0	-44.04	281.47	1.27	-42.77
O=C(NCC1=NN=N[N-]1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL300019679554	1	30	-1.0	-44.01	281.52	1.29	-42.72
O=C(NCC1=NN=N[N-]1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019679555	0	37	-1.0	-38.42	311.71	2.34	-36.08
O=C(NCC1=N[N-]N=N1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019679555	1	37	-1.0	-38.43	311.65	2.33	-36.10
CC(O)(C(=O)NCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300019679556	0	33	-1.0	-35.73	297.85	0.45	-35.28
CC(O)(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019679556	1	33	-1.0	-35.73	297.91	0.46	-35.27
O=C(NCC1=NN=N[N-]1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019679557	0	43	0.0	-50.54	340.08	1.99	-48.55
O=C(NCC1=NN=N[N-]1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019679557	1	43	0.0	-48.93	336.45	1.64	-47.29
O=C(NCC1=N[N-]N=N1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019679557	1	43	0.0	-50.53	340.02	1.98	-48.55
O=C(NCC1=N[N-]N=N1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019679557	1	43	0.0	-48.94	336.39	1.62	-47.32
O=C(NCC1=NN=N[N-]1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300019679558	0	33	-1.0	-45.66	311.37	3.45	-42.21
O=C(NCC1=N[N-]N=N1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300019679558	1	33	-1.0	-45.65	311.31	3.43	-42.22
O=C(CCCC1=CC=CC(Br)=C1)NCC1=N[N-]N=N1	REAL300019679559	0	32	-1.0	-37.65	300.38	4.13	-33.52
O=C(CCCC1=CC=CC(Br)=C1)NCC1=NN=N[N-]1	REAL300019679559	1	32	-1.0	-37.66	300.43	4.14	-33.52
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679560	0	32	-1.0	-43.01	302.89	-5.54	-48.55
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679560	1	32	-1.0	-43.02	302.95	-5.53	-48.55
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=N[N-]N=N1)C(C)(C)C	REAL300019679561	0	45	-1.0	-34.82	348.00	1.08	-33.74
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NN=N[N-]1)C(C)(C)C	REAL300019679561	1	45	-1.0	-34.83	348.06	1.09	-33.74
CC(C)(C)OC(=O)N(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019679562	0	43	-1.0	-43.08	361.41	4.36	-38.72
CC(C)(C)OC(=O)N(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019679562	1	43	-1.0	-43.11	361.46	4.37	-38.74
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019679563	0	45	-1.0	-35.10	354.65	1.29	-33.81
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019679563	1	45	-1.0	-35.10	354.71	1.31	-33.79
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C(=O)NCC1=N[N-]N=N1	REAL300019679564	0	47	-1.0	-41.72	372.87	4.94	-36.78
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C(=O)NCC1=NN=N[N-]1	REAL300019679564	1	47	-1.0	-41.73	372.93	4.95	-36.78
CC(C)(C)OC(=O)N1CCCC(OCC(=O)NCC2=N[N-]N=N2)C1	REAL300019679565	0	47	-1.0	-41.67	375.71	2.60	-39.07
CC(C)(C)OC(=O)N1CCCC(OCC(=O)NCC2=NN=N[N-]2)C1	REAL300019679565	1	47	-1.0	-41.68	375.76	2.61	-39.07
O=C(CSC1=NC=CC2=CC=CC=C21)NCC1=NN=N[N-]1	REAL300019679566	0	32	-1.0	-39.59	296.16	3.04	-36.55
O=C(CSC1=NC=CC2=CC=CC=C21)NCC1=N[N-]N=N1	REAL300019679566	1	32	-1.0	-39.59	296.10	3.03	-36.56
CC1=CC=C(C2=NC(SCC(=O)NCC3=N[N-]N=N3)=NN2)C=C1	REAL300019679567	0	36	-1.0	-40.80	334.16	3.11	-37.69
CC1=CC=C(C2=NC(SCC(=O)NCC3=NN=N[N-]3)=NN2)C=C1	REAL300019679567	1	36	-1.0	-40.83	334.22	3.12	-37.71
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCC2=N[N-]N=N2)S1	REAL300019679568	0	36	-2.0	-87.20	333.57	-0.65	-87.85
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCC2=NN=N[N-]2)S1	REAL300019679568	1	36	-2.0	-87.21	333.63	-0.64	-87.85
CC(C)C1=NN=C(NC(=O)CCC(=O)NCC2=N[N-]N=N2)S1	REAL300019679568	1	37	-1.0	-46.19	336.86	0.47	-45.72
O=C(CSC1=NC2=CC=CC=C2N=C1N1CCCC1)NCC1=NN=N[N-]1	REAL300019679569	0	43	-1.0	-40.20	366.80	2.69	-37.51
O=C(CSC1=NC2=CC=CC=C2N=C1N1CCCC1)NCC1=N[N-]N=N1	REAL300019679569	1	43	-1.0	-40.15	366.75	2.67	-37.48
O=C(NCC1=N[N-]N=N1)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1	REAL300019679570	0	33	-1.0	-40.47	338.08	3.19	-37.28
O=C(NCC1=NN=N[N-]1)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1	REAL300019679570	1	33	-1.0	-40.47	338.13	3.21	-37.26
CC(C)(C)OC1=CC=CC(CCC(=O)NCC2=N[N-]N=N2)=N1	REAL300019679571	0	41	-1.0	-37.06	335.66	2.91	-34.15
CC(C)(C)OC1=CC=CC(CCC(=O)NCC2=NN=N[N-]2)=N1	REAL300019679571	1	41	-1.0	-37.04	335.72	2.93	-34.11
CC1=CC=C(N2C=C(C(=O)NCC3=NN=N[N-]3)C(C(C)(C)C)=N2)C=C1	REAL300019679572	0	45	-1.0	-37.19	362.95	5.45	-31.74
CC1=CC=C(N2C=C(C(=O)NCC3=N[N-]N=N3)C(C(C)(C)C)=N2)C=C1	REAL300019679572	1	45	-1.0	-37.23	362.89	5.43	-31.80
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679573	0	42	-1.0	-37.41	341.74	4.82	-32.59
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679573	1	42	-1.0	-37.40	341.69	4.81	-32.59
CC1=CC(C(=O)NCC2=N[N-]N=N2)=C(Br)S1	REAL300019679574	0	23	-1.0	-36.38	242.38	1.68	-34.70
CC1=CC(C(=O)NCC2=NN=N[N-]2)=C(Br)S1	REAL300019679574	1	23	-1.0	-36.40	242.44	1.69	-34.71
CSC1=CC(C(=O)NCC2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300019679575	0	27	-1.0	-33.48	279.22	3.23	-30.25
CSC1=CC(C(=O)NCC2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300019679575	1	27	-1.0	-33.45	279.27	3.24	-30.21
CC(=O)NC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019679576	0	33	-1.0	-44.58	306.35	1.16	-43.42
CC(=O)NC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019679576	1	33	-1.0	-44.55	306.41	1.18	-43.37
CC1=C(I)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019679577	0	26	-1.0	-35.02	251.32	2.88	-32.14
CC1=C(I)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019679577	1	26	-1.0	-35.00	251.38	2.90	-32.10
CC1=CC=C(OCCCC(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL300019679578	0	36	-1.0	-40.30	324.99	3.55	-36.75
CC1=CC=C(OCCCC(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL300019679578	1	36	-1.0	-40.33	325.05	3.56	-36.77
O=C(CCCC1=CC=CC=C1Br)NCC1=N[N-]N=N1	REAL300019679579	0	32	-1.0	-38.26	295.27	3.94	-34.32
O=C(CCCC1=CC=CC=C1Br)NCC1=NN=N[N-]1	REAL300019679579	1	32	-1.0	-38.25	295.33	3.96	-34.29
CC(CC(=O)NCC1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300019679580	0	52	-1.0	-40.44	393.50	3.99	-36.45
CC(CC(=O)NCC1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300019679580	1	52	-1.0	-40.44	393.55	4.00	-36.44
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679581	0	35	-1.0	-43.69	327.39	-1.40	-45.09
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679581	1	35	-1.0	-43.73	327.45	-1.39	-45.12
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679582	0	38	-1.0	-38.79	340.50	5.13	-33.66
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679582	1	38	-1.0	-38.79	340.56	5.14	-33.65
O=C(NCC1=N[N-]N=N1)C1=CC(F)=C(F)C=C1I	REAL300019679583	0	23	-1.0	-32.70	245.97	2.44	-30.26
O=C(NCC1=NN=N[N-]1)C1=CC(F)=C(F)C=C1I	REAL300019679583	1	23	-1.0	-32.71	246.03	2.45	-30.26
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(I)=C1	REAL300019679584	0	27	-1.0	-36.19	262.69	1.63	-34.56
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(I)=C1	REAL300019679584	1	27	-1.0	-36.17	262.75	1.64	-34.53
O=C(NCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1Br	REAL300019679585	0	23	-1.0	-34.41	244.55	2.38	-32.03
O=C(NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1Br	REAL300019679585	1	23	-1.0	-34.40	244.60	2.39	-32.01
O=C(NCC1=N[N-]N=N1)C1=CC(I)=CC=C1Cl	REAL300019679586	0	23	-1.0	-35.85	251.87	2.86	-32.99
O=C(NCC1=NN=N[N-]1)C1=CC(I)=CC=C1Cl	REAL300019679586	1	23	-1.0	-35.84	251.92	2.87	-32.97
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)CCCC1	REAL300019679587	0	46	-1.0	-39.10	362.42	1.32	-37.78
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)CCCC1	REAL300019679587	1	46	-1.0	-39.12	362.48	1.34	-37.78
CS(=O)(=O)N1CCN(CC(=O)NCC2=N[N-]N=N2)CC1	REAL300019679588	0	36	-1.0	-39.85	301.80	-4.55	-44.40
CS(=O)(=O)N1CCN(CC(=O)NCC2=NN=N[N-]2)CC1	REAL300019679588	1	36	-1.0	-39.82	301.86	-4.54	-44.36
O=C(NCC1=N[N-]N=N1)C1=CN(CCOC2=CC=CC=C2Cl)C2=CC=CC=C12	REAL300019679589	0	44	-1.0	-42.80	394.12	6.97	-35.83
O=C(NCC1=NN=N[N-]1)C1=CN(CCOC2=CC=CC=C2Cl)C2=CC=CC=C12	REAL300019679589	1	44	-1.0	-42.81	394.18	6.99	-35.82
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NCC1=N[N-]N=N1	REAL300019679590	0	35	-1.0	-43.26	310.69	4.75	-38.51
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NCC1=NN=N[N-]1	REAL300019679590	1	35	-1.0	-43.25	310.75	4.76	-38.49
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679591	0	38	-1.0	-40.40	321.22	3.95	-36.45
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679591	1	38	-1.0	-40.40	321.27	3.97	-36.43
CC1CCCC(OCCCCCC(=O)NCC2=N[N-]N=N2)C1	REAL300019679592	0	48	-1.0	-37.29	376.86	4.73	-32.56
CC1CCCC(OCCCCCC(=O)NCC2=NN=N[N-]2)C1	REAL300019679592	1	48	-1.0	-37.30	376.92	4.74	-32.56
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC1=N[N-]N=N1	REAL300019679593	0	40	-1.0	-38.22	339.52	-3.45	-41.67
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC1=NN=N[N-]1	REAL300019679593	1	40	-1.0	-38.25	339.58	-3.44	-41.69
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019679594	0	40	-1.0	-42.05	336.30	-0.43	-42.48
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019679594	1	40	-1.0	-42.04	336.35	-0.42	-42.46
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NCC1=NN=N[N-]1	REAL300019679595	0	33	-1.0	-47.11	303.80	3.79	-43.32
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NCC1=N[N-]N=N1	REAL300019679595	1	33	-1.0	-47.16	303.75	3.77	-43.39
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)N=C1I	REAL300019679596	0	26	-1.0	-40.32	265.33	-0.15	-40.47
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)N=C1I	REAL300019679596	1	26	-1.0	-40.34	265.27	-0.16	-40.50
O=C(NCC1=NN=N[N-]1)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300019679597	0	33	-1.0	-39.72	332.57	2.73	-36.99
O=C(NCC1=N[N-]N=N1)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300019679597	1	33	-1.0	-39.70	332.51	2.72	-36.98
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCC2=N[N-]N=N2)CC1	REAL300019679598	0	49	-1.0	-40.61	381.06	3.58	-37.03
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCC2=NN=N[N-]2)CC1	REAL300019679598	1	49	-1.0	-40.63	381.12	3.59	-37.04
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)NCC1=N[N-]N=N1	REAL300019679599	0	45	-1.0	-41.40	366.92	5.70	-35.70
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)NCC1=NN=N[N-]1	REAL300019679599	1	45	-1.0	-41.41	366.98	5.72	-35.69
O=C(NCC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1SCCO	REAL300019679600	0	33	-1.0	-40.41	308.32	0.43	-39.98
O=C(NCC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1SCCO	REAL300019679600	1	33	-1.0	-40.44	308.38	0.45	-39.99
O=C(NCC1=N[N-]N=N1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300019679601	0	27	-1.0	-34.95	277.24	1.01	-33.94
O=C(NCC1=NN=N[N-]1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300019679601	1	27	-1.0	-34.98	277.31	1.03	-33.95
O=C(NCC1=N[N-]N=N1)C1=CC(OCC2=CC=CC=C2)=CC=C1O	REAL300019679602	0	38	-1.0	-41.97	331.62	3.05	-38.92
O=C(NCC1=NN=N[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1O	REAL300019679602	1	38	-1.0	-41.95	331.68	3.06	-38.89
O=C(NCC1=N[N-]N=N1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300019679603	0	35	-1.0	-40.08	309.08	2.63	-37.45
O=C(NCC1=NN=N[N-]1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300019679603	1	35	-1.0	-40.09	309.14	2.64	-37.45
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(O)=C1	REAL300019679604	0	42	-1.0	-44.20	346.81	-0.64	-44.84
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(O)=C1	REAL300019679604	1	42	-1.0	-44.21	346.86	-0.63	-44.84
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(O)=C1	REAL300019679605	0	41	-1.0	-41.25	342.36	0.03	-41.22
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(O)=C1	REAL300019679605	1	41	-1.0	-41.26	342.41	0.04	-41.22
O=C(NC1=CC=C(O)C(C(=O)NCC2=N[N-]N=N2)=C1)OCC(F)(F)F	REAL300019679606	0	35	-1.0	-39.27	329.04	-0.62	-39.89
O=C(NC1=CC=C(O)C(C(=O)NCC2=NN=N[N-]2)=C1)OCC(F)(F)F	REAL300019679606	1	35	-1.0	-39.27	329.10	-0.61	-39.88
NS(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL300019679607	0	28	-1.0	-42.85	270.24	-3.72	-46.57
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL300019679607	1	28	-1.0	-42.81	270.29	-3.71	-46.52
O=C(COC1=CC=CC=C1Br)NCC1=N[N-]N=N1	REAL300019679608	0	27	-1.0	-40.18	265.52	2.46	-37.72
O=C(COC1=CC=CC=C1Br)NCC1=NN=N[N-]1	REAL300019679608	1	27	-1.0	-40.18	265.58	2.47	-37.71
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300019679609	0	32	-1.0	-44.31	295.73	3.67	-40.64
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O=C(NCC1=NN=N[N-]1)C1=CC(Br)=C([O-])C(Br)=C1	REAL300019679660	1	23	-2.0	-75.90	259.82	0.53	-75.37
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679661	0	28	-1.0	-42.12	286.42	-3.23	-45.35
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679661	1	28	-1.0	-42.09	286.48	-3.22	-45.31
CC1=CC=C(CC2=NC(C(=O)NCC3=N[N-]N=N3)=CS2)C=C1	REAL300019679662	0	35	-1.0	-41.88	323.56	3.40	-38.48
CC1=CC=C(CC2=NC(C(=O)NCC3=NN=N[N-]3)=CS2)C=C1	REAL300019679662	1	35	-1.0	-41.90	323.61	3.41	-38.49
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300019679663	0	29	-1.0	-35.61	273.41	3.09	-32.52
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300019679663	1	29	-1.0	-35.62	273.47	3.10	-32.52
CC(C)C1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300019679664	0	39	-1.0	-42.92	329.21	3.92	-39.00
CC(C)C1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300019679664	1	39	-1.0	-42.92	329.27	3.93	-38.99
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=C(Br)C=C2C=C1	REAL300019679665	0	29	-1.0	-36.06	278.88	4.11	-31.95
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=C(Br)C=C2C=C1	REAL300019679665	1	29	-1.0	-36.06	278.94	4.12	-31.94
O=C(NCC1=N[N-]N=N1)C1=NOC(COC2=CC=C(Cl)C=C2Cl)=C1	REAL300019679666	0	33	-1.0	-41.66	334.83	3.01	-38.65
O=C(NCC1=NN=N[N-]1)C1=NOC(COC2=CC=C(Cl)C=C2Cl)=C1	REAL300019679666	1	33	-1.0	-41.65	334.89	3.02	-38.63
O=C(CN1C=C(C(=O)NCC2=NN=N[N-]2)C=N1)NC1CCCC1	REAL300019679667	0	40	-1.0	-49.07	341.09	0.61	-48.46
O=C(CN1C=C(C(=O)NCC2=N[N-]N=N2)C=N1)NC1CCCC1	REAL300019679667	1	40	-1.0	-49.07	341.04	0.60	-48.47
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300019679668	0	34	-1.0	-37.56	306.22	2.09	-35.47
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300019679668	1	34	-1.0	-37.54	306.16	2.08	-35.46
CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019679669	0	45	-1.0	-34.88	356.77	1.01	-33.87
CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019679669	1	45	-1.0	-34.86	356.83	1.03	-33.83
CNC(=O)COC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679670	0	37	-1.0	-48.93	326.21	0.77	-48.16
CNC(=O)COC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679670	1	37	-1.0	-48.94	326.26	0.79	-48.15
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1C1=CC=CC=N1	REAL300019679671	0	36	-1.0	-40.24	310.26	2.94	-37.30
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1C1=CC=CC=N1	REAL300019679671	1	36	-1.0	-40.22	310.20	2.92	-37.30
CCCOC1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1OCCC	REAL300019679672	0	46	-1.0	-39.94	381.64	4.56	-35.38
CCCOC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1OCCC	REAL300019679672	1	46	-1.0	-39.96	381.70	4.58	-35.38
CC(C)(C)OC(=O)N1CCSCC1CC(=O)NCC1=N[N-]N=N1	REAL300019679673	0	44	-1.0	-40.24	351.78	3.01	-37.23
CC(C)(C)OC(=O)N1CCSCC1CC(=O)NCC1=NN=N[N-]1	REAL300019679673	1	44	-1.0	-40.19	351.84	3.02	-37.17
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1NC(=O)OC(C)(C)C	REAL300019679674	0	43	-1.0	-40.39	351.01	2.36	-38.03
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300019679674	1	43	-1.0	-40.38	351.06	2.37	-38.01
CC(C)(C)OC(=O)NC(C)(C(=O)NCC1=N[N-]N=N1)C1CC1	REAL300019679675	0	43	-1.0	-42.07	340.53	0.90	-41.17
CC(C)(C)OC(=O)NC(C)(C(=O)NCC1=NN=N[N-]1)C1CC1	REAL300019679675	1	43	-1.0	-42.05	340.58	0.91	-41.14
O=C(NCC1=N[N-]N=N1)C1=CC(I)=C(F)C=C1F	REAL300019679676	0	23	-1.0	-34.34	249.39	2.46	-31.88
O=C(NCC1=NN=N[N-]1)C1=CC(I)=C(F)C=C1F	REAL300019679676	1	23	-1.0	-34.36	249.44	2.47	-31.89
O=C(CC1=CC(Br)=CC=C1F)NCC1=N[N-]N=N1	REAL300019679677	0	26	-1.0	-37.14	262.93	2.57	-34.57
O=C(CC1=CC(Br)=CC=C1F)NCC1=NN=N[N-]1	REAL300019679677	1	26	-1.0	-37.15	262.99	2.59	-34.56
O=C(CC1=CC(Cl)=CC=C1Br)NCC1=N[N-]N=N1	REAL300019679678	0	26	-1.0	-36.08	271.13	2.93	-33.15
O=C(CC1=CC(Cl)=CC=C1Br)NCC1=NN=N[N-]1	REAL300019679678	1	26	-1.0	-36.10	271.19	2.95	-33.15
O=C(CC1=CC=CC=C1I)NCC1=N[N-]N=N1	REAL300019679679	0	26	-1.0	-37.09	259.46	2.83	-34.26
O=C(CC1=CC=CC=C1I)NCC1=NN=N[N-]1	REAL300019679679	1	26	-1.0	-37.11	259.52	2.84	-34.27
O=C(CC1=CC(F)=CC=C1Br)NCC1=N[N-]N=N1	REAL300019679680	0	26	-1.0	-36.39	260.80	2.49	-33.90
O=C(CC1=CC(F)=CC=C1Br)NCC1=NN=N[N-]1	REAL300019679680	1	26	-1.0	-36.37	260.86	2.51	-33.86
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)NCC2=N[N-]N=N2)C1=O	REAL300019679681	0	42	-1.0	-44.56	356.71	1.80	-42.76
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)NCC2=NN=N[N-]2)C1=O	REAL300019679681	1	42	-1.0	-44.60	356.77	1.81	-42.79
O=C(CSC1=CC=CC(Br)=C1)NCC1=N[N-]N=N1	REAL300019679682	0	27	-1.0	-36.59	276.00	3.00	-33.59
O=C(CSC1=CC=CC(Br)=C1)NCC1=NN=N[N-]1	REAL300019679682	1	27	-1.0	-36.55	276.06	3.01	-33.54
CC(C)(C)OC(=O)NC(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019679683	0	46	-1.0	-41.34	380.77	3.33	-38.01
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019679683	1	46	-1.0	-41.37	380.82	3.35	-38.02
CCC1(C(=O)NCC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019679684	0	46	-1.0	-43.36	362.47	2.38	-40.98
CCC1(C(=O)NCC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019679684	1	46	-1.0	-43.37	362.53	2.39	-40.98
COC(=O)[C@H](CCC(=O)NCC1=N[N-]N=N1)NC(=O)OCC1=CC=CC=C1	REAL300019679685	0	46	-1.0	-42.81	404.74	2.82	-39.99
COC(=O)[C@H](CCC(=O)NCC1=NN=N[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300019679685	1	46	-1.0	-42.81	404.79	2.84	-39.97
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019679686	0	45	-1.0	-39.58	351.93	0.71	-38.87
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019679686	1	45	-1.0	-39.58	351.99	0.73	-38.85
CN(C)C(=O)NC1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL300019679687	0	35	-1.0	-44.62	312.56	1.50	-43.12
CN(C)C(=O)NC1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL300019679687	1	35	-1.0	-44.61	312.61	1.51	-43.10
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679688	0	43	-1.0	-46.48	363.25	4.23	-42.25
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679688	1	43	-1.0	-46.49	363.30	4.25	-42.24
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019679689	0	43	-1.0	-36.97	359.47	2.27	-34.70
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019679689	1	43	-1.0	-36.99	359.53	2.29	-34.70
CC1=CC=C(C(O)(CC(=O)NCC2=N[N-]N=N2)C(F)(F)F)O1	REAL300019679690	0	33	-1.0	-35.34	301.52	0.47	-34.87
CC1=CC=C(C(O)(CC(=O)NCC2=NN=N[N-]2)C(F)(F)F)O1	REAL300019679690	1	33	-1.0	-35.35	301.58	0.47	-34.88
NS(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1Br	REAL300019679691	0	28	-1.0	-38.86	282.11	-3.12	-41.98
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1Br	REAL300019679691	1	28	-1.0	-38.89	282.17	-3.10	-41.99
O=C(NCC1=N[N-]N=N1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300019679692	0	26	-1.0	-34.00	263.38	2.65	-31.35
O=C(NCC1=NN=N[N-]1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300019679692	1	26	-1.0	-34.02	263.44	2.67	-31.35
CC(C)(C)C1=CC=C(C(C)(C)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679693	0	44	-1.0	-36.86	343.03	5.16	-31.70
CC(C)(C)C1=CC=C(C(C)(C)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679693	1	44	-1.0	-36.86	343.08	5.17	-31.69
CC(C)COC1=CC=CC(OCC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679694	0	40	-1.0	-40.49	338.05	3.53	-36.96
CC(C)COC1=CC=CC(OCC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679694	1	40	-1.0	-40.46	338.11	3.55	-36.91
O=C(NCC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300019679695	0	28	-1.0	-35.00	278.46	2.91	-32.09
O=C(NCC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300019679695	1	28	-1.0	-34.99	278.52	2.92	-32.07
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=CC(Br)=C1	REAL300019679696	0	23	-1.0	-33.47	249.59	2.37	-31.10
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=CC(Br)=C1	REAL300019679696	1	23	-1.0	-33.44	249.64	2.38	-31.06
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1	REAL300019679697	0	35	-1.0	-36.80	321.17	4.78	-32.02
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1	REAL300019679697	1	35	-1.0	-36.82	321.11	4.77	-32.05
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019679698	0	40	-1.0	-37.82	327.96	1.97	-35.85
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019679698	1	40	-1.0	-37.79	328.02	1.99	-35.80
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)NCC1=N[N-]N=N1	REAL300019679699	0	43	-1.0	-43.92	341.76	2.55	-41.37
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)NCC1=NN=N[N-]1	REAL300019679699	1	43	-1.0	-43.86	341.82	2.56	-41.30
CC1(C)CCC2=C(C=C(C(=O)NCC3=N[N-]N=N3)C(=O)N2)C1	REAL300019679700	0	39	-1.0	-49.35	312.33	1.76	-47.59
CC1(C)CCC2=C(C=C(C(=O)NCC3=NN=N[N-]3)C(=O)N2)C1	REAL300019679700	1	39	-1.0	-49.35	312.38	1.78	-47.57
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NCC1=N[N-]N=N1	REAL300019679701	0	30	-1.0	-37.14	282.19	1.72	-35.42
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NCC1=NN=N[N-]1	REAL300019679701	1	30	-1.0	-37.10	282.25	1.73	-35.37
O=C(NCC1=N[N-]N=N1)C1(OCC2=CC=CC=C2)CCOCC1	REAL300019679702	0	41	-1.0	-37.86	334.85	2.36	-35.50
O=C(NCC1=NN=N[N-]1)C1(OCC2=CC=CC=C2)CCOCC1	REAL300019679702	1	41	-1.0	-37.88	334.90	2.37	-35.51
CC(C)C(C(=O)NCC1=N[N-]N=N1)N1CCCS1(=O)=O	REAL300019679703	0	37	-1.0	-44.16	303.24	-1.45	-45.61
CC(C)C(C(=O)NCC1=NN=N[N-]1)N1CCCS1(=O)=O	REAL300019679703	1	37	-1.0	-44.12	303.30	-1.43	-45.55
CC1=C(C(=O)NCC2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019679704	0	37	-1.0	-35.61	310.28	1.60	-34.01
CC1=C(C(=O)NCC2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019679704	1	37	-1.0	-35.62	310.34	1.61	-34.01
CC1=CC=CC=C1SC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679705	0	37	-1.0	-36.72	329.91	5.88	-30.84
CC1=CC=CC=C1SC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679705	1	37	-1.0	-36.68	329.97	5.89	-30.79
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C(C)(C)C	REAL300019679706	0	45	-1.0	-34.61	346.00	1.52	-33.09
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C(C)(C)C	REAL300019679706	1	45	-1.0	-34.60	346.05	1.54	-33.06
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)NCC1=N[N-]N=N1	REAL300019679707	0	40	-1.0	-41.00	332.28	-3.15	-44.15
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)NCC1=NN=N[N-]1	REAL300019679707	1	40	-1.0	-41.02	332.34	-3.14	-44.16
CC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1C	REAL300019679708	0	39	-1.0	-39.42	329.19	4.44	-34.98
CC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300019679708	1	39	-1.0	-39.39	329.25	4.46	-34.93
O=C(NCC1=N[N-]N=N1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1C(F)(F)F	REAL300019679709	0	36	-1.0	-41.98	345.55	3.82	-38.16
O=C(NCC1=NN=N[N-]1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1C(F)(F)F	REAL300019679709	1	36	-1.0	-41.99	345.61	3.84	-38.15
O=C(NCC1=N[N-]N=N1)C1=CN(CCOC2=CC=CC=C2Cl)C(=O)C=C1	REAL300019679710	0	40	-1.0	-45.24	361.72	4.64	-40.60
O=C(NCC1=NN=N[N-]1)C1=CN(CCOC2=CC=CC=C2Cl)C(=O)C=C1	REAL300019679710	1	40	-1.0	-45.21	361.77	4.66	-40.55
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)NCC1=N[N-]N=N1	REAL300019679711	0	39	-1.0	-40.57	340.22	3.51	-37.06
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)NCC1=NN=N[N-]1	REAL300019679711	1	39	-1.0	-40.56	340.28	3.53	-37.03
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=C(Cl)C=C2)N=C1	REAL300019679712	0	29	-1.0	-36.34	287.32	1.39	-34.95
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=C(Cl)C=C2)N=C1	REAL300019679712	1	29	-1.0	-36.37	287.26	1.37	-35.00
COC1=CC2=C(C(=O)NCC3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019679713	0	39	-1.0	-39.99	326.85	2.95	-37.04
COC1=CC2=C(C(=O)NCC3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019679713	1	39	-1.0	-39.98	326.91	2.97	-37.01
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CC(C)(C(=O)NCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019679725	0	42	-1.0	-38.42	341.38	6.27	-32.15
CC(C)(C(=O)NCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019679725	1	42	-1.0	-38.40	341.44	6.28	-32.12
CS(=O)(=O)NC1=CC=C(O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679726	0	32	-1.0	-42.37	293.78	-3.49	-45.86
CS(=O)(=O)NC1=CC=C(O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679726	1	32	-1.0	-42.38	293.83	-3.48	-45.86
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CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCC2=N[N-]N=N2)CC1	REAL300019679738	0	46	-1.0	-37.93	352.51	2.53	-35.40
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCC2=NN=N[N-]2)CC1	REAL300019679738	1	46	-1.0	-37.89	352.57	2.54	-35.35
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)NCC2=N[N-]N=N2)C1	REAL300019679739	0	46	-1.0	-45.36	353.63	2.88	-42.48
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)NCC2=NN=N[N-]2)C1	REAL300019679739	1	46	-1.0	-45.33	353.69	2.89	-42.44
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)NCC1=NN=N[N-]1	REAL300019679740	0	39	-1.0	-47.13	349.17	1.17	-45.96
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)NCC1=N[N-]N=N1	REAL300019679740	1	39	-1.0	-47.15	349.11	1.16	-45.99
CC(C(=O)NCC1=N[N-]N=N1)S(=O)(=O)C1CCOCC1	REAL300019679741	0	36	-1.0	-49.50	306.33	-2.34	-51.84
CC(C(=O)NCC1=NN=N[N-]1)S(=O)(=O)C1CCOCC1	REAL300019679741	1	36	-1.0	-49.53	306.38	-2.33	-51.86
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CC1=CC=C(C(C)C)C(OCCC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679743	0	42	-1.0	-36.88	346.08	4.25	-32.63
CC1=CC=C(C(C)C)C(OCCC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679743	1	42	-1.0	-36.89	346.13	4.26	-32.63
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019679744	0	48	-1.0	-39.78	367.87	1.18	-38.60
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019679744	1	48	-1.0	-39.77	367.93	1.19	-38.58
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679745	0	35	-1.0	-50.13	312.69	1.52	-48.61
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679745	1	35	-1.0	-50.11	312.75	1.53	-48.58
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C2=CC=CC(Br)=C2)=NO1	REAL300019679746	0	32	-1.0	-38.85	312.61	3.84	-35.01
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C2=CC=CC(Br)=C2)=NO1	REAL300019679746	1	32	-1.0	-38.82	312.55	3.82	-35.00
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL300019679747	0	38	-1.0	-41.90	326.79	-0.62	-42.52
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL300019679747	1	38	-1.0	-41.90	326.85	-0.61	-42.51
COC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1OC1CCCC1	REAL300019679748	0	41	-1.0	-37.96	335.74	3.36	-34.60
COC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1OC1CCCC1	REAL300019679748	1	41	-1.0	-37.98	335.80	3.38	-34.60
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CC1=C(C(=O)NCC2=N[N-]N=N2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019679751	0	39	-1.0	-39.10	339.80	0.79	-38.31
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019679751	1	39	-1.0	-39.12	339.86	0.80	-38.32
NS(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679752	0	28	-1.0	-40.67	297.67	-2.73	-43.40
NS(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679752	1	28	-1.0	-40.70	297.72	-2.71	-43.41
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CCCC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300019679755	0	39	-1.0	-39.90	330.61	4.31	-35.59
CCCC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300019679755	1	39	-1.0	-39.89	330.66	4.32	-35.57
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CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC(C#N)=C1	REAL300019679758	0	34	-1.0	-48.93	312.47	3.19	-45.74
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300019679758	1	34	-1.0	-48.91	312.53	3.20	-45.71
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CC1=CC(F)=CC=C1N1C=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL300019679760	0	33	-1.0	-40.75	300.74	3.42	-37.33
CC1=CC(F)=CC=C1N1C=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL300019679760	1	33	-1.0	-40.72	300.68	3.41	-37.31
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679761	0	35	-1.0	-40.49	318.40	4.56	-35.93
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679761	1	35	-1.0	-40.48	318.45	4.58	-35.90
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O=C(NCC1=N[N-]N=N1)C1=CNN=C1C1=CC=C2OCOC2=C1	REAL300019679763	0	33	-1.0	-39.86	293.50	-0.08	-39.94
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O=C(CCC1=CC(F)=CC=C1Br)NCC1=N[N-]N=N1	REAL300019679764	0	29	-1.0	-35.85	281.21	3.27	-32.58
O=C(CCC1=CC(F)=CC=C1Br)NCC1=NN=N[N-]1	REAL300019679764	1	29	-1.0	-35.89	281.26	3.29	-32.60
CC1(C(=O)NCC2=N[N-]N=N2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019679765	0	45	0.0	-51.45	345.50	5.31	-46.14
CC1(C(=O)NCC2=NN=N[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019679765	1	45	0.0	-51.42	345.56	5.32	-46.10
CCCC1=C(C(=O)NCC2=N[N-]N=N2)C=NN1C1CCCC1	REAL300019679766	0	42	-1.0	-39.23	340.59	3.89	-35.34
CCCC1=C(C(=O)NCC2=NN=N[N-]2)C=NN1C1CCCC1	REAL300019679766	1	42	-1.0	-39.25	340.64	3.90	-35.35
CC(C)COC1=NC=C(C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL300019679767	0	35	-1.0	-34.00	318.24	0.96	-33.04
CC(C)COC1=NC=C(C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL300019679767	1	35	-1.0	-34.00	318.18	0.94	-33.06
O=C(NCC1=NN=N[N-]1)C1=NC=CN=C1SC1=CC=CC=C1	REAL300019679768	0	32	-1.0	-41.83	301.97	2.01	-39.82
O=C(NCC1=N[N-]N=N1)C1=NC=CN=C1SC1=CC=CC=C1	REAL300019679768	1	32	-1.0	-41.82	301.92	2.00	-39.82
CC1=C(C(=O)NCC2=NN=N[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019679769	0	35	-1.0	-38.09	328.48	1.52	-36.57
CC1=C(C(=O)NCC2=N[N-]N=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019679769	1	35	-1.0	-38.12	328.43	1.51	-36.61
O=C(NCC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019679770	0	30	-2.0	-74.47	301.64	-1.37	-75.84
O=C(NCC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019679770	1	30	-2.0	-74.47	301.70	-1.35	-75.82
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=CC=C(Br)S2)S1	REAL300019679771	0	27	-1.0	-35.44	296.55	3.85	-31.59
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=CC=C(Br)S2)S1	REAL300019679771	1	27	-1.0	-35.45	296.61	3.86	-31.59
CC1=CC(N2CC(C(=O)NCC3=N[N-]N=N3)CC2=O)=CC=C1F	REAL300019679772	0	37	-1.0	-38.38	317.10	2.88	-35.50
CC1=CC(N2CC(C(=O)NCC3=NN=N[N-]3)CC2=O)=CC=C1F	REAL300019679772	1	37	-1.0	-38.36	317.16	2.89	-35.47
CC1=CC(Br)=CC(Cl)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679773	0	26	-1.0	-35.57	271.84	2.66	-32.91
CC1=CC(Br)=CC(Cl)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679773	1	26	-1.0	-35.59	271.90	2.67	-32.92
O=C(NCC1=N[N-]N=N1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300019679774	0	31	-1.0	-40.11	290.01	0.40	-39.71
O=C(NCC1=NN=N[N-]1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300019679774	1	31	-1.0	-40.13	290.07	0.42	-39.71
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NCC1=N[N-]N=N1	REAL300019679775	0	37	-1.0	-45.10	342.68	-0.68	-45.78
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NCC1=NN=N[N-]1	REAL300019679775	1	37	-1.0	-45.13	342.74	-0.67	-45.80
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679776	0	36	-1.0	-44.69	322.65	-4.28	-48.97
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679776	1	36	-1.0	-44.69	322.71	-4.26	-48.95
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679777	0	29	-1.0	-43.24	281.31	0.43	-42.81
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679777	1	29	-1.0	-43.22	281.37	0.45	-42.77
CN(C)C1=C2C=C(C(=O)NCC3=N[N-]N=N3)N(C)C2=NC=N1	REAL300019679778	0	36	-1.0	-36.48	303.94	2.03	-34.45
CN(C)C1=C2C=C(C(=O)NCC3=NN=N[N-]3)N(C)C2=NC=N1	REAL300019679778	1	36	-1.0	-36.48	304.00	2.04	-34.44
CC(CC(=O)NCC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1	REAL300019679779	0	34	-1.0	-36.21	310.00	3.57	-32.64
CC(CC(=O)NCC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL300019679779	1	34	-1.0	-36.20	310.06	3.58	-32.62
O=C(NCC1=N[N-]N=N1)C12CCC(=O)N1C1=CC=CC=C1C(=O)N2C1CC1	REAL300019679780	0	43	-1.0	-44.79	352.97	3.13	-41.66
O=C(NCC1=NN=N[N-]1)C12CCC(=O)N1C1=CC=CC=C1C(=O)N2C1CC1	REAL300019679780	1	43	-1.0	-44.79	353.03	3.15	-41.64
CC1=C(C)N2C(=NC=C(C(=O)NCC3=NN=N[N-]3)C2=O)S1	REAL300019679781	0	31	-1.0	-48.45	280.49	1.84	-46.61
COC1=CC=C(SC)C(OC)=C1C(=O)NCC1=N[N-]N=N1	REAL300019679782	0	35	-1.0	-44.26	316.03	1.11	-43.15
COC1=CC=C(SC)C(OC)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679782	1	35	-1.0	-44.31	316.08	1.13	-43.18
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1	REAL300019679783	0	33	-1.0	-41.34	309.94	3.36	-37.98
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300019679783	1	33	-1.0	-41.35	310.00	3.37	-37.98
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019679784	0	32	-1.0	-35.93	308.18	2.90	-33.03
CC1=C(C(=O)NCC2=N[N-]N=N2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019679784	1	32	-1.0	-35.95	308.12	2.89	-33.06
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679785	0	38	-1.0	-40.56	339.89	5.33	-35.23
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679785	1	38	-1.0	-40.57	339.95	5.35	-35.22
O=C(NCC1=N[N-]N=N1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300019679786	0	41	-1.0	-39.45	359.35	3.27	-36.18
O=C(NCC1=NN=N[N-]1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300019679786	1	41	-1.0	-39.42	359.40	3.28	-36.14
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)NCC1=N[N-]N=N1	REAL300019679787	0	30	-1.0	-37.58	297.76	1.48	-36.10
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)NCC1=NN=N[N-]1	REAL300019679787	1	30	-1.0	-37.59	297.82	1.49	-36.10
O=C(NCC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300019679788	0	29	-1.0	-39.98	276.81	2.75	-37.23
O=C(NCC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300019679788	1	29	-1.0	-39.98	276.86	2.77	-37.21
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300019679789	0	26	-1.0	-34.38	262.79	2.75	-31.63
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300019679789	1	26	-1.0	-34.41	262.85	2.77	-31.64
O=C(NCC1=NN=N[N-]1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300019679790	0	29	-1.0	-37.26	297.59	0.39	-36.87
O=C(NCC1=N[N-]N=N1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300019679790	1	29	-1.0	-37.27	297.54	0.38	-36.89
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NCC1=N[N-]N=N1	REAL300019679791	0	38	-1.0	-42.48	327.45	2.31	-40.17
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NCC1=NN=N[N-]1	REAL300019679791	1	38	-1.0	-42.48	327.50	2.32	-40.16
CCC1(C(=O)NCC2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300019679792	0	46	-1.0	-44.35	352.71	3.86	-40.49
CCC1(C(=O)NCC2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300019679792	1	46	-1.0	-44.36	352.77	3.88	-40.48
O=C(NCC1=N[N-]N=N1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300019679793	0	34	-1.0	-37.51	317.01	4.60	-32.91
O=C(NCC1=NN=N[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300019679793	1	34	-1.0	-37.51	317.07	4.61	-32.90
O=C(NCC1=NN=N[N-]1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL300019679794	0	29	-1.0	-43.28	284.17	0.86	-42.42
O=C(NCC1=N[N-]N=N1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL300019679794	1	29	-1.0	-43.25	284.11	0.84	-42.41
CC1=C(C(=O)NCC2=N[N-]N=N2)SC2=NC(C)=NC(N)=C12	REAL300019679795	0	32	-1.0	-39.22	286.19	0.20	-39.02
CC1=C(C(=O)NCC2=NN=N[N-]2)SC2=NC(C)=NC(N)=C12	REAL300019679795	1	32	-1.0	-39.25	286.25	0.22	-39.03
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679796	0	35	-1.0	-43.24	314.46	-1.40	-44.64
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679796	1	35	-1.0	-43.23	314.51	-1.39	-44.62
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NCC1=N[N-]N=N1	REAL300019679797	0	40	-1.0	-54.17	351.99	2.91	-51.26
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NCC1=NN=N[N-]1	REAL300019679797	1	40	-1.0	-54.17	352.04	2.93	-51.24
O=C(NCC1=N[N-]N=N1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300019679798	0	34	-1.0	-48.60	310.60	2.81	-45.79
O=C(NCC1=NN=N[N-]1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300019679798	1	34	-1.0	-48.59	310.66	2.82	-45.77
O=C(NCC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1	REAL300019679799	0	38	-1.0	-38.04	315.50	1.47	-36.57
O=C(NCC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1	REAL300019679799	1	38	-1.0	-38.03	315.55	1.48	-36.55
COC1=CC(C(=O)CCC(=O)NCC2=N[N-]N=N2)=CC(OC)=C1OC	REAL300019679800	0	43	-1.0	-40.20	369.56	1.71	-38.49
COC1=CC(C(=O)CCC(=O)NCC2=NN=N[N-]2)=CC(OC)=C1OC	REAL300019679800	1	43	-1.0	-40.19	369.62	1.72	-38.47
COCC1=NN=C(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)O1	REAL300019679801	0	35	-1.0	-44.09	318.12	-3.05	-47.14
COCC1=NN=C(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)O1	REAL300019679801	1	35	-1.0	-44.06	318.17	-3.03	-47.09
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300019679802	0	30	-1.0	-43.22	307.04	3.62	-39.60
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300019679802	1	30	-1.0	-43.23	306.98	3.61	-39.62
CC1=CC=C(S(=O)(=O)NC(C(=O)NCC2=N[N-]N=N2)C(C)O)C=C1	REAL300019679803	0	41	-1.0	-46.78	361.38	-3.47	-50.25
CC1=CC=C(S(=O)(=O)NC(C(=O)NCC2=NN=N[N-]2)C(C)O)C=C1	REAL300019679803	1	41	-1.0	-46.75	361.44	-3.45	-50.20
O=C(NCC1=N[N-]N=N1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300019679804	0	33	-1.0	-40.22	306.57	-2.49	-42.71
O=C(NCC1=NN=N[N-]1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300019679804	1	33	-1.0	-40.20	306.62	-2.48	-42.68
CC1=NC(C(=O)NCC2=N[N-]N=N2)=C(C2=CC=CC=C2)S1	REAL300019679805	0	32	-1.0	-41.21	297.53	2.77	-38.44
CC1=NC(C(=O)NCC2=NN=N[N-]2)=C(C2=CC=CC=C2)S1	REAL300019679805	1	32	-1.0	-41.22	297.59	2.79	-38.43
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=CC(Br)=C1	REAL300019679806	0	23	-1.0	-33.38	254.15	2.47	-30.91
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=CC(Br)=C1	REAL300019679806	1	23	-1.0	-33.37	254.21	2.49	-30.88
CC(C)C1=CC=CC(C2=CC=C(C(=O)NCC3=N[N-]N=N3)O2)=C1	REAL300019679807	0	39	-1.0	-40.01	335.43	4.90	-35.11
CC(C)C1=CC=CC(C2=CC=C(C(=O)NCC3=NN=N[N-]3)O2)=C1	REAL300019679807	1	39	-1.0	-39.99	335.49	4.91	-35.08
O=C(CC(O)(C1=NC2=CC=CC=C2S1)C(F)(F)F)NCC1=NN=N[N-]1	REAL300019679808	0	35	-1.0	-37.73	327.36	0.99	-36.74
O=C(CC(O)(C1=NC2=CC=CC=C2S1)C(F)(F)F)NCC1=N[N-]N=N1	REAL300019679808	1	35	-1.0	-37.80	327.31	0.98	-36.82
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679809	0	39	-1.0	-49.33	339.30	0.87	-48.46
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679809	1	39	-1.0	-49.32	339.35	0.88	-48.44
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019679810	0	33	-1.0	-43.09	323.57	3.77	-39.32
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019679810	1	33	-1.0	-43.12	323.62	3.79	-39.33
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL300019679811	0	33	-1.0	-41.61	299.62	2.90	-38.71
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL300019679811	1	33	-1.0	-41.61	299.68	2.92	-38.69
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300019679812	0	33	-1.0	-44.40	309.95	3.35	-41.05
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300019679812	1	33	-1.0	-44.41	310.00	3.36	-41.05
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300019679813	0	39	-1.0	-43.21	336.03	4.16	-39.05
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300019679813	1	39	-1.0	-43.21	336.09	4.17	-39.04
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679814	0	40	-1.0	-39.39	341.58	5.24	-34.15
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679814	1	40	-1.0	-39.40	341.63	5.25	-34.15
O=C(NCC1=NN=N[N-]1)C1=CC=NC(OC2CCCCC2)=C1	REAL300019679815	0	39	-1.0	-36.22	322.62	1.77	-34.45
O=C(NCC1=N[N-]N=N1)C1=CC=NC(OC2CCCCC2)=C1	REAL300019679815	1	39	-1.0	-36.20	322.57	1.75	-34.45
O=C(NCC1=N[N-]N=N1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300019679816	0	34	-1.0	-36.36	328.73	5.85	-30.51
O=C(NCC1=NN=N[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300019679816	1	34	-1.0	-36.33	328.78	5.86	-30.47
CC(C)N1C(=O)CC(C(=O)NCC2=N[N-]N=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300019679817	0	43	-1.0	-42.94	364.24	4.28	-38.66
CC(C)N1C(=O)CC(C(=O)NCC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300019679817	1	43	-1.0	-42.91	364.29	4.29	-38.62
CC1=CC=C(SC2CCCC2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679818	0	40	-1.0	-39.60	330.41	5.58	-34.02
CC1=CC=C(SC2CCCC2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679818	1	40	-1.0	-39.59	330.46	5.60	-33.99
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679819	0	43	-1.0	-39.67	358.00	2.17	-37.50
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679819	1	43	-1.0	-39.69	358.06	2.19	-37.50
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679820	0	38	-1.0	-36.31	321.20	3.96	-32.35
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679820	1	38	-1.0	-36.31	321.26	3.98	-32.33
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COC1=CC=C(C2(C(=O)NCC3=NN=N[N-]3)CCCC2)C=C1OC	REAL300019679827	1	44	-1.0	-41.62	349.49	3.77	-37.85
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CC(=O)C1=CC=CC(OCC2=CC(C(=O)NCC3=NN=N[N-]3)=NO2)=C1	REAL300019679832	1	38	-1.0	-48.27	344.90	2.44	-45.83
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CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679834	0	35	-1.0	-40.49	313.21	4.30	-36.19
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CC(C)(C)OC(=O)N1CCCC(COCC(=O)NCC2=N[N-]N=N2)C1	REAL300019679835	0	50	-1.0	-47.35	396.96	3.29	-44.06
CC(C)(C)OC(=O)N1CCCC(COCC(=O)NCC2=NN=N[N-]2)C1	REAL300019679835	1	50	-1.0	-47.35	397.01	3.31	-44.04
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CC(C)(C)OC(=O)N1CCC(CCC(=O)NCC2=N[N-]N=N2)C1	REAL300019679855	0	46	-1.0	-42.04	368.11	2.79	-39.25
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCC2=NN=N[N-]2)C1	REAL300019679855	1	46	-1.0	-42.02	368.16	2.80	-39.22
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300019679856	0	33	-1.0	-45.96	308.34	3.52	-42.44
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CC(=O)N(CCC1=CC=CC=C1)CC(=O)NCC1=N[N-]N=N1	REAL300019679859	0	39	-1.0	-41.49	335.90	3.68	-37.81
CC(=O)N(CCC1=CC=CC=C1)CC(=O)NCC1=NN=N[N-]1	REAL300019679859	1	39	-1.0	-41.48	335.95	3.69	-37.79
CC(SC1=NC2=CC=CC=C2S1)C(=O)NCC1=NN=N[N-]1	REAL300019679860	0	32	-1.0	-37.75	306.75	2.99	-34.76
CC(SC1=NC2=CC=CC=C2S1)C(=O)NCC1=N[N-]N=N1	REAL300019679860	1	32	-1.0	-37.74	306.69	2.98	-34.76
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CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCC1=N[N-]N=N1	REAL300019679862	0	46	-1.0	-44.31	362.60	2.66	-41.65
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCC1=NN=N[N-]1	REAL300019679862	1	46	-1.0	-44.30	362.66	2.67	-41.63
CC1=CC(F)=CC=C1N1C=C(C(=O)NCC2=NN=N[N-]2)N=N1	REAL300019679863	0	32	-1.0	-40.02	290.93	1.74	-38.28
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COC1=CC=CC(C2=NC(C)=C(C(=O)NCC3=NN=N[N-]3)N2)=C1	REAL300019679864	1	37	-1.0	-38.26	320.87	1.61	-36.65
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CC1=C(C(=O)NCC2=N[N-]N=N2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019679867	0	36	-1.0	-36.68	330.38	3.30	-33.38
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CN(C(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019679868	0	40	-1.0	-40.29	333.14	4.28	-36.01
CN(C(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019679868	1	40	-1.0	-40.27	333.19	4.30	-35.97
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CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679871	1	46	-1.0	-35.46	375.64	2.60	-32.86
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CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679911	0	37	-1.0	-40.88	320.95	4.46	-36.42
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CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(=O)NCC1=NN=N[N-]1	REAL300019679915	1	50	-1.0	-51.78	406.67	0.73	-51.05
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CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)=N1	REAL300019679918	1	40	0.0	-59.89	342.78	3.19	-56.70
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019679919	0	28	-2.0	-77.22	281.50	-2.55	-79.77
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O=C(NCC1=N[N-]N=N1)C1=CC=CC(SC2=CC=C(Cl)C=C2)=C1[N+](=O)[O-]	REAL300019679920	0	36	-1.0	-44.10	355.21	7.73	-36.37
O=C(NCC1=NN=N[N-]1)C1=CC=CC(SC2=CC=C(Cl)C=C2)=C1[N+](=O)[O-]	REAL300019679920	1	36	-1.0	-44.09	355.26	7.74	-36.35
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CN1C=C(N2C=C(C(=O)NCC3=N[N-]N=N3)C=CC2=O)C=N1	REAL300019679923	1	33	-1.0	-38.95	291.68	1.05	-37.90
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=N[N-]N=N3)=NO2)CC1	REAL300019679924	0	48	-1.0	-39.15	385.07	1.71	-37.44
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NN=N[N-]3)=NO2)CC1	REAL300019679924	1	48	-1.0	-39.16	385.12	1.72	-37.44
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CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=N1	REAL300019679926	0	42	-1.0	-37.85	354.82	-0.15	-38.00
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=N1	REAL300019679926	1	42	-1.0	-37.86	354.88	-0.14	-38.00
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CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)NCC1=NN=N[N-]1	REAL300019679928	1	37	-1.0	-38.63	339.00	3.35	-35.28
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CC1=CC=C(C(=O)CC(C)(C)CC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679931	0	43	-1.0	-42.04	343.09	5.05	-36.99
CC1=CC=C(C(=O)CC(C)(C)CC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679931	1	43	-1.0	-42.01	343.15	5.06	-36.95
CC1=C(Br)C=C(C(=O)NCC2=N[N-]N=N2)C(=O)N1	REAL300019679932	0	26	-1.0	-47.63	253.04	-0.45	-48.08
CC1=C(Br)C=C(C(=O)NCC2=NN=N[N-]2)C(=O)N1	REAL300019679932	1	26	-1.0	-47.64	253.10	-0.43	-48.07
CCNS(=O)(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679933	0	37	-1.0	-43.32	333.83	-1.05	-44.37
CCNS(=O)(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679933	1	37	-1.0	-43.33	333.89	-1.03	-44.36
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O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300019679936	1	37	-1.0	-37.80	325.78	5.44	-32.36
CNS(=O)(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679937	0	34	-1.0	-43.74	312.79	-1.90	-45.64
CNS(=O)(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679937	1	34	-1.0	-43.76	312.85	-1.89	-45.65
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NCC1=N[N-]N=N1	REAL300019679938	0	30	-1.0	-38.27	290.03	3.91	-34.36
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NCC1=NN=N[N-]1	REAL300019679938	1	30	-1.0	-38.28	290.09	3.92	-34.36
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CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=N[N-]N=N1	REAL300019679940	0	34	-1.0	-36.10	309.86	3.69	-32.41
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NN=N[N-]1	REAL300019679940	1	34	-1.0	-36.12	309.92	3.70	-32.42
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CCCCSC1=CC=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679943	1	36	-1.0	-37.82	328.51	5.21	-32.61
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CCC(CC)(C(=O)NCC1=N[N-]N=N1)C1=CC=C(OC)C(OC)=C1	REAL300019679945	0	46	-1.0	-40.67	352.17	2.85	-37.82
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CC1=C(C(=O)NCC2=N[N-]N=N2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019679956	1	32	-1.0	-36.54	321.60	1.48	-35.06
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CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)NCC1=N[N-]N=N1	REAL300019679958	0	46	-1.0	-45.55	347.42	3.59	-41.96
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)NCC1=NN=N[N-]1	REAL300019679958	1	46	-1.0	-45.51	347.48	3.60	-41.91
COC1=CC=C(C(=O)CCCCC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679959	0	41	-1.0	-41.15	350.10	3.43	-37.72
COC1=CC=C(C(=O)CCCCC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679959	1	41	-1.0	-41.15	350.16	3.45	-37.70
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679960	0	39	-1.0	-42.89	338.31	3.89	-39.00
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679960	1	39	-1.0	-42.91	338.37	3.91	-39.00
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679961	0	38	-1.0	-45.00	336.00	0.96	-44.04
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679961	1	38	-1.0	-45.02	336.06	0.98	-44.04
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019679962	0	33	-2.0	-110.13	309.66	1.90	-108.23
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019679962	1	33	-2.0	-110.12	309.71	1.91	-108.21
CC(C)(C)OC(=O)N1CC2(CCC2)CCC1C(=O)NCC1=N[N-]N=N1	REAL300019682202	0	50	-1.0	-44.12	379.59	4.31	-39.81
CC(C)(C)OC(=O)N1CC2(CCC2)CCC1C(=O)NCC1=NN=N[N-]1	REAL300019682202	1	50	-1.0	-44.07	379.65	4.32	-39.75
CC(C)(C)OC(=O)NCC1=C(C(=O)NCC2=N[N-]N=N2)OC=C1	REAL300019682203	0	40	-1.0	-41.65	340.71	-0.33	-41.98
CC(C)(C)OC(=O)NCC1=C(C(=O)NCC2=NN=N[N-]2)OC=C1	REAL300019682203	1	40	-1.0	-41.67	340.77	-0.31	-41.98
CC1CCC(C(=O)NCC2=N[N-]N=N2)N(C(=O)OC(C)(C)C)C1	REAL300019682204	0	46	-1.0	-38.85	356.85	2.86	-35.99
CC1CCC(C(=O)NCC2=NN=N[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300019682204	1	46	-1.0	-38.85	356.90	2.87	-35.98
O=C(NCC1=N[N-]N=N1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL300019682205	0	28	-1.0	-39.95	275.96	1.66	-38.29
O=C(NCC1=NN=N[N-]1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL300019682205	1	28	-1.0	-39.97	276.02	1.68	-38.29
CC(C)(C)OC(=O)N1C[C@@H](CC2CC2)[C@H](C(=O)NCC2=N[N-]N=N2)C1	REAL300019682206	0	50	-1.0	-38.10	397.94	4.03	-34.07
CC(C)(C)OC(=O)N1C[C@@H](CC2CC2)[C@H](C(=O)NCC2=NN=N[N-]2)C1	REAL300019682206	1	50	-1.0	-38.11	398.00	4.05	-34.06
COC1C(F)CCC(C(=O)NCC2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL300019682207	0	47	-1.0	-39.78	371.07	2.17	-37.61
COC1C(F)CCC(C(=O)NCC2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL300019682207	1	47	-1.0	-39.76	371.13	2.19	-37.57
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1CC2CCC1C2	REAL300019682208	0	50	-1.0	-40.73	379.47	2.77	-37.96
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1CC2CCC1C2	REAL300019682208	1	50	-1.0	-40.72	379.52	2.78	-37.94
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682209	0	45	-1.0	-34.11	342.54	1.32	-32.79
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682209	1	45	-1.0	-34.07	342.60	1.34	-32.73
O=C(NCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1SCC1=CC=CC=C1	REAL300019682210	0	37	-1.0	-37.39	345.36	6.64	-30.75
O=C(NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1SCC1=CC=CC=C1	REAL300019682210	1	37	-1.0	-37.38	345.41	6.66	-30.72
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)NCC1=N[N-]N=N1	REAL300019682211	0	42	-1.0	-39.74	355.07	-0.13	-39.87
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)NCC1=NN=N[N-]1	REAL300019682211	1	42	-1.0	-39.73	355.13	-0.12	-39.85
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682212	0	43	-1.0	-43.82	347.07	2.11	-41.71
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682212	1	43	-1.0	-43.84	347.13	2.13	-41.71
C=CCC1(C(=O)NCC2=N[N-]N=N2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300019682213	0	53	-1.0	-44.83	391.64	5.85	-38.98
C=CCC1(C(=O)NCC2=NN=N[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300019682213	1	53	-1.0	-44.84	391.70	5.86	-38.98
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)NCC1=N[N-]N=N1	REAL300019682214	0	47	-1.0	-43.40	373.03	3.34	-40.06
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)NCC1=NN=N[N-]1	REAL300019682214	1	47	-1.0	-43.40	373.09	3.36	-40.04
CC1=CC(C(NC(=O)OC(C)(C)C)C(=O)NCC2=N[N-]N=N2)=CC(C)=C1	REAL300019682215	0	49	-1.0	-37.34	402.31	3.59	-33.75
CC1=CC(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NN=N[N-]2)=CC(C)=C1	REAL300019682215	1	49	-1.0	-37.30	402.37	3.60	-33.70
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1CC1C1=CC=CC=C1	REAL300019682216	0	50	-1.0	-45.23	400.00	4.46	-40.77
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1CC1C1=CC=CC=C1	REAL300019682216	1	50	-1.0	-45.23	400.06	4.48	-40.75
O=C(NCC1=N[N-]N=N1)C(NS(=O)(=O)C1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300019682217	0	41	-1.0	-39.32	375.03	1.39	-37.93
O=C(NCC1=NN=N[N-]1)C(NS(=O)(=O)C1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300019682217	1	41	-1.0	-39.34	375.08	1.41	-37.93
O=C(CCC1=CC=C(Br)S1)NCC1=N[N-]N=N1	REAL300019682218	0	26	-1.0	-35.15	269.49	2.54	-32.61
O=C(CCC1=CC=C(Br)S1)NCC1=NN=N[N-]1	REAL300019682218	1	26	-1.0	-35.13	269.54	2.57	-32.56
CN1N=CC2=C1CCN(C(=O)OC(C)(C)C)C2C(=O)NCC1=N[N-]N=N1	REAL300019682219	0	47	-1.0	-45.52	377.44	2.40	-43.12
CN1N=CC2=C1CCN(C(=O)OC(C)(C)C)C2C(=O)NCC1=NN=N[N-]1	REAL300019682219	1	47	-1.0	-45.57	377.50	2.42	-43.15
C[C@@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)N(C(=O)OC(C)(C)C)C1	REAL300019682220	0	46	-1.0	-38.87	356.83	2.86	-36.01
C[C@@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300019682220	1	46	-1.0	-38.86	356.89	2.87	-35.99
CC(C)(C)OC(=O)NC1CCC2(CC2)CC1C(=O)NCC1=N[N-]N=N1	REAL300019682221	0	50	-1.0	-39.56	395.05	2.78	-36.78
CC(C)(C)OC(=O)NC1CCC2(CC2)CC1C(=O)NCC1=NN=N[N-]1	REAL300019682221	1	50	-1.0	-39.57	395.11	2.79	-36.78
CC(C)(C)OC(=O)NC1(C(=O)NCC2=N[N-]N=N2)CC(C(F)F)C1	REAL300019682222	0	43	-1.0	-40.99	359.27	0.97	-40.02
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NN=N[N-]2)CC(C(F)F)C1	REAL300019682222	1	43	-1.0	-40.97	359.33	0.99	-39.98
COC1=CC=C(Br)C(F)=C1C(=O)NCC1=N[N-]N=N1	REAL300019682223	0	27	-1.0	-42.29	271.34	1.08	-41.21
COC1=CC=C(Br)C(F)=C1C(=O)NCC1=NN=N[N-]1	REAL300019682223	1	27	-1.0	-42.30	271.40	1.10	-41.20
CC(C)(C)C1=CC=C(N2N=C(C(=O)NCC3=N[N-]N=N3)CCC2=O)C=C1	REAL300019682224	0	46	-1.0	-38.77	377.03	4.23	-34.54
CC(C)(C)C1=CC=C(N2N=C(C(=O)NCC3=NN=N[N-]3)CCC2=O)C=C1	REAL300019682224	1	46	-1.0	-38.79	377.09	4.24	-34.55
CC1=CC2=C(C=C(C(=O)NCC3=N[N-]N=N3)N2CC2CC2)S1	REAL300019682225	0	37	-1.0	-38.16	328.83	5.12	-33.04
CC1=CC2=C(C=C(C(=O)NCC3=NN=N[N-]3)N2CC2CC2)S1	REAL300019682225	1	37	-1.0	-38.19	328.89	5.13	-33.06
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCC3=N[N-]N=N3)CCOCC2)CC1	REAL300019682226	0	57	-1.0	-46.39	412.73	3.56	-42.83
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCC3=NN=N[N-]3)CCOCC2)CC1	REAL300019682226	1	57	-1.0	-46.36	412.78	3.58	-42.78
COC1=CC=C2CC(C(=O)NCC3=NN=N[N-]3)N(C(=O)OC(C)(C)C)C2=N1	REAL300019682227	0	47	-1.0	-46.73	388.66	2.18	-44.55
COC1=CC=C2CC(C(=O)NCC3=N[N-]N=N3)N(C(=O)OC(C)(C)C)C2=N1	REAL300019682227	1	47	-1.0	-46.74	388.60	2.16	-44.58
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)NCC1=N[N-]N=N1	REAL300019682228	0	47	-1.0	-36.36	369.23	0.16	-36.20
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)NCC1=NN=N[N-]1	REAL300019682228	1	47	-1.0	-36.34	369.29	0.17	-36.17
COC1=CN=C(C(F)(F)F)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682229	0	29	-1.0	-38.33	274.78	1.09	-37.24
COC1=CN=C(C(F)(F)F)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682229	1	29	-1.0	-38.32	274.72	1.08	-37.24
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300019682230	0	30	-1.0	-37.75	292.54	3.14	-34.61
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300019682230	1	30	-1.0	-37.76	292.59	3.16	-34.60
CC1(C)CCC2=CC(C(=O)NCC3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300019682231	0	38	-1.0	-36.52	317.90	3.26	-33.26
CC1(C)CCC2=CC(C(=O)NCC3=NN=N[N-]3)=C(Cl)N=C2C1	REAL300019682231	1	38	-1.0	-36.54	317.96	3.27	-33.27
O=C(CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)NCC1=NN=N[N-]1	REAL300019682232	0	33	-1.0	-42.65	323.39	3.00	-39.65
O=C(CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)NCC1=N[N-]N=N1	REAL300019682232	1	33	-1.0	-42.63	323.33	2.99	-39.64
CCOC1=C2C=C(C(=O)NCC3=NN=N[N-]3)SC2=NC=C1	REAL300019682233	0	32	-1.0	-41.16	296.96	1.03	-40.13
CCOC1=C2C=C(C(=O)NCC3=N[N-]N=N3)SC2=NC=C1	REAL300019682233	1	32	-1.0	-41.13	296.90	1.01	-40.12
CC1=NC(C2CCOCC2)=NC=C1C(=O)NCC1=N[N-]N=N1	REAL300019682234	0	38	-1.0	-35.44	313.70	0.59	-34.85
CC1=NC(C2CCOCC2)=NC=C1C(=O)NCC1=NN=N[N-]1	REAL300019682234	1	38	-1.0	-35.42	313.75	0.60	-34.82
CC(C)(C)OC(=O)N1CCC(N2C=CC(C(=O)NCC3=NN=N[N-]3)=N2)CC1	REAL300019682235	0	50	-1.0	-43.92	401.73	2.95	-40.97
CC(C)(C)OC(=O)N1CCC(N2C=CC(C(=O)NCC3=N[N-]N=N3)=N2)CC1	REAL300019682235	1	50	-1.0	-43.92	401.67	2.94	-40.98
COC(=O)CC[C@H](CC(=O)NCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019682236	0	48	-1.0	-41.64	391.34	1.28	-40.36
COC(=O)CC[C@H](CC(=O)NCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019682236	1	48	-1.0	-41.66	391.39	1.30	-40.36
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)NCC1=N[N-]N=N1	REAL300019682237	0	44	-1.0	-44.83	354.14	2.90	-41.93
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)NCC1=NN=N[N-]1	REAL300019682237	1	44	-1.0	-44.83	354.20	2.92	-41.91
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCC3=N[N-]N=N3)CC2)CC1	REAL300019682238	0	48	-1.0	-38.73	384.25	3.97	-34.76
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCC3=NN=N[N-]3)CC2)CC1	REAL300019682238	1	48	-1.0	-38.74	384.31	3.98	-34.76
CC(C)(C)OC(=O)N1CCC2(C(=O)NCC3=N[N-]N=N3)CCCCCC12	REAL300019682239	0	53	-1.0	-40.30	377.94	4.39	-35.91
CC(C)(C)OC(=O)N1CCC2(C(=O)NCC3=NN=N[N-]3)CCCCCC12	REAL300019682239	1	53	-1.0	-40.26	378.00	4.40	-35.86
CC(C)(C)OC(=O)NC1(C(=O)NCC2=N[N-]N=N2)CCCCCC1	REAL300019682240	0	49	-1.0	-41.18	362.98	2.93	-38.25
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NN=N[N-]2)CCCCCC1	REAL300019682240	1	49	-1.0	-41.15	363.04	2.95	-38.20
CC(C)(C)OC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682241	0	50	-1.0	-41.40	409.34	2.41	-38.99
CC(C)(C)OC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682241	1	50	-1.0	-41.42	409.40	2.43	-38.99
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL300019682242	0	49	-1.0	-39.23	382.74	2.03	-37.20
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)CC1	REAL300019682242	1	49	-1.0	-39.27	382.80	2.04	-37.23
CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682243	0	50	-1.0	-41.39	409.34	2.41	-38.98
CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682243	1	50	-1.0	-41.44	409.40	2.43	-39.01
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCC3=N[N-]N=N3)O2)C1	REAL300019682244	0	47	-1.0	-43.30	380.07	3.45	-39.85
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCC3=NN=N[N-]3)O2)C1	REAL300019682244	1	47	-1.0	-43.31	380.13	3.46	-39.85
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCC2=N[N-]N=N2)CC1	REAL300019682245	0	52	-1.0	-37.93	385.79	3.66	-34.27
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCC2=NN=N[N-]2)CC1	REAL300019682245	1	52	-1.0	-37.99	385.85	3.68	-34.31
O=C(NCC1=N[N-]N=N1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300019682246	0	33	-1.0	-37.77	293.93	3.88	-33.89
O=C(NCC1=NN=N[N-]1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300019682246	1	33	-1.0	-37.78	293.99	3.89	-33.89
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C)=C(Br)O1	REAL300019682247	0	26	-1.0	-35.12	261.03	1.33	-33.79
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C)=C(Br)O1	REAL300019682247	1	26	-1.0	-35.17	261.08	1.35	-33.82
CC1=CC(C)=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=N[N-]N=N2)C(C)=C1	REAL300019682248	0	52	-1.0	-36.88	407.84	4.50	-32.38
CC1=CC(C)=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NN=N[N-]2)C(C)=C1	REAL300019682248	1	52	-1.0	-36.87	407.90	4.52	-32.35
CC(C)(C)OC(=O)NCC1(C2=NOC=C2C(=O)NCC2=NN=N[N-]2)CC1	REAL300019682249	0	46	-1.0	-39.97	386.22	1.09	-38.88
CC(C)(C)OC(=O)NCC1(C2=NOC=C2C(=O)NCC2=N[N-]N=N2)CC1	REAL300019682249	1	46	-1.0	-39.90	386.16	1.07	-38.83
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682250	0	47	-1.0	-45.11	359.90	3.57	-41.54
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682250	1	47	-1.0	-45.11	359.96	3.58	-41.53
COC1=CC=C(C23CC(CC2)C3C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682251	0	41	-1.0	-38.33	326.33	3.93	-34.40
COC1=CC=C(C23CC(CC2)C3C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682251	1	41	-1.0	-38.27	326.39	3.95	-34.32
O=C(NCC1=N[N-]N=N1)C1=CC2=C(C=C(Br)O2)N1	REAL300019682252	0	24	-1.0	-34.58	247.44	-0.04	-34.62
O=C(NCC1=NN=N[N-]1)C1=CC2=C(C=C(Br)O2)N1	REAL300019682252	1	24	-1.0	-34.56	247.50	-0.02	-34.58
O=C(NCC1=N[N-]N=N1)C1CCC(=O)N1CCC(F)(F)F	REAL300019682253	0	33	-1.0	-40.22	298.45	0.99	-39.23
O=C(NCC1=NN=N[N-]1)C1CCC(=O)N1CCC(F)(F)F	REAL300019682253	1	33	-1.0	-40.27	298.51	1.01	-39.26
CC1=C(Cl)C=C(Br)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682254	0	26	-1.0	-33.03	262.75	2.96	-30.07
CC1=C(Cl)C=C(Br)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682254	1	26	-1.0	-33.05	262.81	2.97	-30.08
CC(C)C1=C(C(=O)NCC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300019682255	0	32	-1.0	-39.52	300.78	2.41	-37.11
CC(C)C1=C(C(=O)NCC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300019682255	1	32	-1.0	-39.49	300.84	2.42	-37.07
CC1(C)CCC2=CC(C(=O)NCC3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300019682256	0	38	-1.0	-36.52	317.90	3.26	-33.26
CC1(C)CCC2=CC(C(=O)NCC3=NN=N[N-]3)=C(Cl)N=C2C1	REAL300019682256	1	38	-1.0	-36.54	317.96	3.27	-33.27
O=C(NCC1=N[N-]N=N1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300019682257	0	37	-1.0	-40.29	312.84	3.38	-36.91
O=C(NCC1=NN=N[N-]1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300019682257	1	37	-1.0	-40.27	312.90	3.39	-36.88
COC1=CC=C(N2N=CC(C(=O)NCC3=N[N-]N=N3)=C2C(C)C)C=C1	REAL300019682258	0	43	-1.0	-38.68	347.98	3.24	-35.44
COC1=CC=C(N2N=CC(C(=O)NCC3=NN=N[N-]3)=C2C(C)C)C=C1	REAL300019682258	1	43	-1.0	-38.66	348.04	3.25	-35.41
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300019682259	0	32	-1.0	-40.00	318.25	3.96	-36.04
CC1=C(C(=O)NCC2=N[N-]N=N2)SC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300019682259	1	32	-1.0	-40.00	318.20	3.94	-36.06
O=C(NCC1=N[N-]N=N1)C1=CN=C(C2CCOCC2)NC1=O	REAL300019682260	0	36	-1.0	-47.19	303.73	-0.86	-48.05
O=C(NCC1=NN=N[N-]1)C1=CN=C(C2CCOCC2)NC1=O	REAL300019682260	1	36	-1.0	-47.20	303.78	-0.85	-48.05
COC(=O)C1=CC2=C(SC(C(=O)NCC3=NN=N[N-]3)=C2)S1	REAL300019682261	0	29	-1.0	-36.49	296.78	2.47	-34.02
O=C(NCC1=N[N-]N=N1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300019682262	0	32	-1.0	-42.51	301.51	1.72	-40.79
O=C(NCC1=NN=N[N-]1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300019682262	1	32	-1.0	-42.52	301.56	1.73	-40.79
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1I	REAL300019682263	0	27	-1.0	-34.95	267.71	1.68	-33.27
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1I	REAL300019682263	1	27	-1.0	-34.94	267.77	1.70	-33.24
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C=C(C(F)(F)F)C=C1Br	REAL300019682264	0	26	-1.0	-34.50	289.78	3.03	-31.47
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C=C(C(F)(F)F)C=C1Br	REAL300019682264	1	26	-1.0	-34.45	289.84	3.05	-31.40
O=C(CCC1=C(C2=CC=C(F)C=C2)NC2=C(Cl)C=CC=C12)NCC1=N[N-]N=N1	REAL300019682265	0	43	-1.0	-37.56	388.79	6.70	-30.86
O=C(CCC1=C(C2=CC=C(F)C=C2)NC2=C(Cl)C=CC=C12)NCC1=NN=N[N-]1	REAL300019682265	1	43	-1.0	-37.56	388.85	6.71	-30.85
CCC1=C(C(=O)NCC2=N[N-]N=N2)OC2=CC=C(Br)C=C21	REAL300019682266	0	32	-1.0	-36.12	303.32	3.69	-32.43
CCC1=C(C(=O)NCC2=NN=N[N-]2)OC2=CC=C(Br)C=C21	REAL300019682266	1	32	-1.0	-36.15	303.38	3.70	-32.45
COC1=CC=C(C(CC(=O)NCC2=N[N-]N=N2)C(F)F)C=C1	REAL300019682267	0	36	-1.0	-37.41	310.29	2.53	-34.88
COC1=CC=C(C(CC(=O)NCC2=NN=N[N-]2)C(F)F)C=C1	REAL300019682267	1	36	-1.0	-37.44	310.35	2.55	-34.89
CC1=NC(C(=O)NCC2=N[N-]N=N2)=C(C2=CC=C(F)C=C2)S1	REAL300019682268	0	32	-1.0	-39.78	303.94	2.84	-36.94
CC1=NC(C(=O)NCC2=NN=N[N-]2)=C(C2=CC=C(F)C=C2)S1	REAL300019682268	1	32	-1.0	-39.79	304.00	2.86	-36.93
O=C(NCC1=N[N-]N=N1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300019682269	0	37	-1.0	-39.61	314.19	1.50	-38.11
O=C(NCC1=NN=N[N-]1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300019682269	1	37	-1.0	-39.61	314.25	1.51	-38.10
CC(C)(C)OC(=O)NC1=CN(CC(=O)NCC2=N[N-]N=N2)N=C1	REAL300019682270	0	40	-1.0	-46.69	338.08	-0.51	-47.20
CC(C)(C)OC(=O)NC1=CN(CC(=O)NCC2=NN=N[N-]2)N=C1	REAL300019682270	1	40	-1.0	-46.68	338.14	-0.49	-47.17
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCC2=N[N-]N=N2)C1	REAL300019682271	0	44	-1.0	-44.05	361.31	1.78	-42.27
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCC2=NN=N[N-]2)C1	REAL300019682271	1	44	-1.0	-44.02	361.37	1.80	-42.22
CC1=CC(F)=CC(C(=O)NCC2=N[N-]N=N2)=C1I	REAL300019682272	0	26	-1.0	-35.54	257.24	2.92	-32.62
CC1=CC(F)=CC(C(=O)NCC2=NN=N[N-]2)=C1I	REAL300019682272	1	26	-1.0	-35.54	257.30	2.93	-32.61
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=C(Br)C=N2)C=C1	REAL300019682273	0	33	-1.0	-37.49	319.53	2.23	-35.26
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=C(Br)C=N2)C=C1	REAL300019682273	1	33	-1.0	-37.49	319.47	2.22	-35.27
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NCC1=N[N-]N=N1	REAL300019682274	0	43	-1.0	-37.15	345.23	0.65	-36.50
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NCC1=NN=N[N-]1	REAL300019682274	1	43	-1.0	-37.16	345.29	0.67	-36.49
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)NCC1=N[N-]N=N1	REAL300019682275	0	43	-1.0	-35.49	354.89	1.22	-34.27
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)NCC1=NN=N[N-]1	REAL300019682275	1	43	-1.0	-35.45	354.94	1.23	-34.22
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NCC2=N[N-]N=N2)C1	REAL300019682276	0	46	-1.0	-39.72	371.93	1.55	-38.17
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NCC2=NN=N[N-]2)C1	REAL300019682276	1	46	-1.0	-39.71	371.99	1.57	-38.14
CC(C)(C)OC(=O)NCCCCCCCCCC(=O)NCC1=N[N-]N=N1	REAL300019682277	0	57	-1.0	-40.51	453.17	4.16	-36.35
CC(C)(C)OC(=O)NCCCCCCCCCC(=O)NCC1=NN=N[N-]1	REAL300019682277	1	57	-1.0	-40.49	453.23	4.18	-36.31
CC(C)(C)OC(=O)NCCOCCC(=O)NCC1=N[N-]N=N1	REAL300019682278	0	43	-1.0	-39.02	358.14	-1.17	-40.19
CC(C)(C)OC(=O)NCCOCCC(=O)NCC1=NN=N[N-]1	REAL300019682278	1	43	-1.0	-39.03	358.20	-1.15	-40.18
COC1=CC(C(=O)NCC2=N[N-]N=N2)=C(N)C(OC)=C1OC	REAL300019682279	0	37	-1.0	-35.75	316.77	-1.19	-36.94
COC1=CC(C(=O)NCC2=NN=N[N-]2)=C(N)C(OC)=C1OC	REAL300019682279	1	37	-1.0	-35.75	316.82	-1.17	-36.92
NC1=CC=C(I)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682280	0	25	-1.0	-35.73	249.69	0.55	-35.18
NC1=CC=C(I)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682280	1	25	-1.0	-35.72	249.75	0.57	-35.15
NC1=C(Br)C=C(Br)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682281	0	25	-1.0	-32.93	262.04	0.75	-32.18
NC1=C(Br)C=C(Br)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682281	1	25	-1.0	-32.95	262.10	0.77	-32.18
CC1=CC(Br)=C(N)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682282	0	28	-1.0	-34.48	262.17	0.81	-33.67
CC1=CC(Br)=C(N)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682282	1	28	-1.0	-34.48	262.23	0.82	-33.66
NC1=C(Br)C=C(F)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682283	0	25	-1.0	-33.33	247.17	0.21	-33.12
NC1=C(Br)C=C(F)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682283	1	25	-1.0	-33.35	247.22	0.22	-33.13
NC1=C(I)C=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019682284	0	25	-1.0	-34.55	246.74	0.62	-33.93
NC1=C(I)C=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019682284	1	25	-1.0	-34.56	246.80	0.64	-33.92
NC1=C(F)C=C(Br)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682285	0	25	-1.0	-33.02	248.90	0.16	-32.86
NC1=C(F)C=C(Br)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682285	1	25	-1.0	-33.01	248.95	0.17	-32.84
CC1=CC(Br)=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL300019682286	0	28	-1.0	-35.85	260.39	0.83	-35.02
CC1=CC(Br)=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL300019682286	1	28	-1.0	-35.85	260.44	0.84	-35.01
NC1=CC(F)=C(Br)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682287	0	25	-1.0	-34.15	248.88	0.13	-34.02
NC1=CC(F)=C(Br)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682287	1	25	-1.0	-34.12	248.93	0.14	-33.98
NC1=C(Br)C=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682288	0	25	-1.0	-33.05	257.48	0.65	-32.40
NC1=C(Br)C=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682288	1	25	-1.0	-33.08	257.53	0.66	-32.42
CC1=CN(C2=CC(C(=O)NCC3=NN=N[N-]3)=C(N)C=C2F)N=C1	REAL300019682289	0	35	-1.0	-40.39	305.49	1.33	-39.06
CC1=CN(C2=CC(C(=O)NCC3=N[N-]N=N3)=C(N)C=C2F)N=C1	REAL300019682289	1	35	-1.0	-40.37	305.43	1.31	-39.06
COC1=CC(N)=C(C(=O)NCC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019682290	0	35	-1.0	-47.09	308.29	-3.15	-50.24
COC1=CC(N)=C(C(=O)NCC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019682290	1	35	-1.0	-47.06	308.34	-3.14	-50.20
CC1=C(Br)C=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL300019682291	0	28	-1.0	-34.41	257.29	0.73	-33.68
CC1=C(Br)C=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL300019682291	1	28	-1.0	-34.37	257.35	0.74	-33.63
NC1=CC(Br)=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL300019682292	0	27	-1.0	-36.42	254.43	-1.76	-38.18
NC1=CC(Br)=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL300019682292	1	27	-1.0	-36.44	254.49	-1.75	-38.19
NC1=CC(Br)=C(F)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682293	0	25	-1.0	-34.37	248.92	0.11	-34.26
NC1=CC(Br)=C(F)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682293	1	25	-1.0	-34.36	248.98	0.12	-34.24
COC1=CC(Br)=C(N)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682294	0	29	-1.0	-35.64	270.22	-0.57	-36.21
COC1=CC(Br)=C(N)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682294	1	29	-1.0	-35.66	270.27	-0.55	-36.21
NC1=C(I)C=C(F)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682295	0	25	-1.0	-33.25	253.15	0.69	-32.56
NC1=C(I)C=C(F)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682295	1	25	-1.0	-33.22	253.20	0.70	-32.52
COC1=CC(N)=C(C(=O)NCC2=N[N-]N=N2)C=C1Br	REAL300019682296	0	29	-1.0	-37.16	271.11	-0.55	-37.71
COC1=CC(N)=C(C(=O)NCC2=NN=N[N-]2)C=C1Br	REAL300019682296	1	29	-1.0	-37.11	271.16	-0.54	-37.65
NC1=C(C(=O)NCC2=N[N-]N=N2)C=CC(Br)=C1F	REAL300019682297	0	25	-1.0	-32.90	247.37	0.14	-32.76
NC1=C(C(=O)NCC2=NN=N[N-]2)C=CC(Br)=C1F	REAL300019682297	1	25	-1.0	-32.90	247.43	0.16	-32.74
COC1=C(N)C(C(=O)NCC2=N[N-]N=N2)=CC(Cl)=C1Br	REAL300019682298	0	29	-1.0	-33.36	289.58	0.08	-33.28
COC1=C(N)C(C(=O)NCC2=NN=N[N-]2)=CC(Cl)=C1Br	REAL300019682298	1	29	-1.0	-33.39	289.64	0.10	-33.29
COC1=CC(OC)=C(C(=O)NCC2=N[N-]N=N2)C(N)=C1Cl	REAL300019682299	0	33	-1.0	-39.81	300.83	-1.73	-41.54
COC1=CC(OC)=C(C(=O)NCC2=NN=N[N-]2)C(N)=C1Cl	REAL300019682299	1	33	-1.0	-39.82	300.89	-1.71	-41.53
O=C(NCC1=NN=N[N-]1)C1=CC=C(Br)C(Cl)=N1	REAL300019682300	0	22	-1.0	-36.97	245.13	0.52	-36.45
O=C(NCC1=N[N-]N=N1)C1=CC=C(Br)C(Cl)=N1	REAL300019682300	1	22	-1.0	-36.97	245.07	0.51	-36.46
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682301	0	38	-1.0	-41.48	340.76	-4.34	-45.82
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682301	1	38	-1.0	-41.48	340.82	-4.32	-45.80
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682302	0	47	-1.0	-38.07	368.15	-0.47	-38.54
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682302	1	47	-1.0	-38.06	368.21	-0.46	-38.52
O=C(CCC1=C(Br)SC=C1)NCC1=N[N-]N=N1	REAL300019682303	0	26	-1.0	-36.07	266.68	2.30	-33.77
O=C(CCC1=C(Br)SC=C1)NCC1=NN=N[N-]1	REAL300019682303	1	26	-1.0	-36.07	266.74	2.31	-33.76
CN1C=C(Br)C(=O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682304	0	26	-1.0	-56.27	256.47	1.35	-54.92
CN1C=C(Br)C(=O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682304	1	26	-1.0	-56.35	256.52	1.36	-54.99
CC(C)(C)OC(=O)N1C=C(Br)CCC1C(=O)NCC1=N[N-]N=N1	REAL300019682305	0	41	-1.0	-41.06	349.49	3.71	-37.35
CC(C)(C)OC(=O)N1C=C(Br)CCC1C(=O)NCC1=NN=N[N-]1	REAL300019682305	1	41	-1.0	-41.05	349.55	3.73	-37.32
CC(=O)CC1(C(=O)NCC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019682306	0	48	-1.0	-49.57	382.94	3.30	-46.27
CC(=O)CC1(C(=O)NCC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019682306	1	48	-1.0	-49.55	383.00	3.31	-46.24
COC1(C(F)(F)C(=O)NCC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019682307	0	47	-1.0	-40.13	374.14	1.97	-38.16
COC1(C(F)(F)C(=O)NCC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019682307	1	47	-1.0	-40.15	374.20	1.98	-38.17
O=C(NCC1=NN=N[N-]1)C1=NN=C2C(Br)=CC=CN12	REAL300019682308	0	25	-1.0	-43.40	255.40	2.10	-41.30
O=C(NCC1=N[N-]N=N1)C1=NN=C2C(Br)=CC=CN12	REAL300019682308	1	25	-1.0	-43.42	255.34	2.08	-41.34
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019682309	0	34	-1.0	-34.47	308.95	1.64	-32.83
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019682309	1	34	-1.0	-34.47	309.00	1.66	-32.81
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019682310	0	33	-2.0	-75.29	314.54	1.95	-73.34
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019682310	1	33	-2.0	-75.24	314.60	1.97	-73.27
O=C(NCC1=N[N-]N=N1)C1=CC2=C(N1)SC(Br)=N2	REAL300019682311	0	23	-1.0	-34.50	252.03	-1.04	-35.54
O=C(NCC1=NN=N[N-]1)C1=CC2=C(N1)SC(Br)=N2	REAL300019682311	1	23	-1.0	-34.50	252.09	-1.02	-35.52
CC1=NSC(Br)=C1C(=O)NCC1=N[N-]N=N1	REAL300019682312	0	22	-1.0	-33.62	241.74	-0.04	-33.66
CC1=NSC(Br)=C1C(=O)NCC1=NN=N[N-]1	REAL300019682312	1	22	-1.0	-33.61	241.79	-0.02	-33.63
COC(=O)C1=CC(OC)=CC(C(=O)NCC2=N[N-]N=N2)=C1Cl	REAL300019682313	0	33	-1.0	-40.56	304.06	1.60	-38.96
COC(=O)C1=CC(OC)=CC(C(=O)NCC2=NN=N[N-]2)=C1Cl	REAL300019682313	1	33	-1.0	-40.56	304.12	1.61	-38.95
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCC1=N[N-]N=N1	REAL300019682314	0	40	-1.0	-41.20	333.72	-2.86	-44.06
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCC1=NN=N[N-]1	REAL300019682314	1	40	-1.0	-41.16	333.77	-2.84	-44.00
CC1=NC(C(=O)NCC2=N[N-]N=N2)=C(NC(=O)OC(C)(C)C)O1	REAL300019682315	0	39	-1.0	-39.71	333.54	-2.70	-42.41
CC1=NC(C(=O)NCC2=NN=N[N-]2)=C(NC(=O)OC(C)(C)C)O1	REAL300019682315	1	39	-1.0	-39.70	333.60	-2.68	-42.38
O=C(NCC1=N[N-]N=N1)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-]	REAL300019682316	0	25	-1.0	-44.59	267.80	2.48	-42.11
O=C(NCC1=NN=N[N-]1)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-]	REAL300019682316	1	25	-1.0	-44.59	267.86	2.49	-42.10
NS(=O)(=O)C1=CC2=C(SC(C(=O)NCC3=NN=N[N-]3)=C2)S1	REAL300019682317	0	28	-1.0	-40.98	297.17	-3.27	-44.25
COC(=O)C1C(F)(F)C12CC(C(=O)NCC1=N[N-]N=N1)C2	REAL300019682318	0	33	-1.0	-39.95	299.36	2.35	-37.60
COC(=O)C1C(F)(F)C12CC(C(=O)NCC1=NN=N[N-]1)C2	REAL300019682318	1	33	-1.0	-39.91	299.41	2.36	-37.55
O=C(NCC1=N[N-]N=N1)C(O)CC1=CC=NC=C1Br	REAL300019682319	0	29	-1.0	-36.23	272.75	-0.21	-36.44
O=C(NCC1=NN=N[N-]1)C(O)CC1=CC=NC=C1Br	REAL300019682319	1	29	-1.0	-36.21	272.81	-0.20	-36.41
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCC1=N[N-]N=N1)(C1=CC=CC=C1)C2	REAL300019682320	0	54	-1.0	-40.64	432.70	5.62	-35.02
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCC1=NN=N[N-]1)(C1=CC=CC=C1)C2	REAL300019682320	1	54	-1.0	-40.66	432.76	5.63	-35.03
O=C(NCC1=N[N-]N=N1)C(NS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1	REAL300019682321	0	41	-1.0	-40.43	368.63	1.33	-39.10
O=C(NCC1=NN=N[N-]1)C(NS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1	REAL300019682321	1	41	-1.0	-40.42	368.68	1.34	-39.08
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCC1=N[N-]N=N1	REAL300019682322	0	40	-1.0	-39.22	333.97	-2.60	-41.82
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCC1=NN=N[N-]1	REAL300019682322	1	40	-1.0	-39.25	334.03	-2.58	-41.83
O=C(NCC1=NN=N[N-]1)C1=CC=C(Br)C(C(F)(F)F)=N1	REAL300019682323	0	25	-1.0	-38.11	264.71	1.04	-37.07
O=C(NCC1=N[N-]N=N1)C1=CC=C(Br)C(C(F)(F)F)=N1	REAL300019682323	1	25	-1.0	-38.06	264.65	1.02	-37.04
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NCC1=N[N-]N=N1)C2	REAL300019682324	0	44	-1.0	-37.57	352.42	2.03	-35.54
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NCC1=NN=N[N-]1)C2	REAL300019682324	1	44	-1.0	-37.55	352.47	2.05	-35.50
CC1=C(I)C(C(=O)NCC2=N[N-]N=N2)=NO1	REAL300019682325	0	22	-1.0	-37.52	237.43	0.40	-37.12
CC1=C(I)C(C(=O)NCC2=NN=N[N-]2)=NO1	REAL300019682325	1	22	-1.0	-37.54	237.49	0.41	-37.13
CC(C)(C)OC(=O)N1CC(C2=NOC=C2C(=O)NCC2=N[N-]N=N2)C1	REAL300019682326	0	43	-1.0	-39.42	363.76	1.64	-37.78
CC(C)(C)OC(=O)N1CC(C2=NOC=C2C(=O)NCC2=NN=N[N-]2)C1	REAL300019682326	1	43	-1.0	-39.44	363.82	1.66	-37.78
CC(C)(C)OC(=O)NCC=C(F)C(=O)NCC1=N[N-]N=N1	REAL300019682327	0	37	-1.0	-37.64	320.03	-0.64	-38.28
CC(C)(C)OC(=O)NCC=C(F)C(=O)NCC1=NN=N[N-]1	REAL300019682327	1	37	-1.0	-37.63	320.09	-0.62	-38.25
CC(C)(C)OC(=O)N1CC2CC1C2C1=C(C(=O)NCC2=NN=N[N-]2)N=CO1	REAL300019682328	0	47	-1.0	-43.51	385.40	0.38	-43.13
CC(C)(C)OC(=O)N1CC2CC1C2C1=C(C(=O)NCC2=N[N-]N=N2)N=CO1	REAL300019682328	1	47	-1.0	-43.51	385.35	0.36	-43.15
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCC2=N[N-]N=N2)[C@H](O)C1	REAL300019682329	0	44	-1.0	-45.20	356.98	-1.37	-46.57
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCC2=NN=N[N-]2)[C@H](O)C1	REAL300019682329	1	44	-1.0	-45.18	357.03	-1.35	-46.53
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NCC1=N[N-]N=N1)C2	REAL300019682330	0	44	-1.0	-37.57	352.42	2.03	-35.54
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NCC1=NN=N[N-]1)C2	REAL300019682330	1	44	-1.0	-37.55	352.47	2.05	-35.50
COC(CF)(OC)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682331	0	37	-1.0	-37.24	313.36	1.70	-35.54
COC(CF)(OC)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682331	1	37	-1.0	-37.26	313.42	1.72	-35.54
CC(C)(C)OC(=O)N1CC(F)(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)C1	REAL300019682332	0	47	-1.0	-44.61	391.08	4.14	-40.47
CC(C)(C)OC(=O)N1CC(F)(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)C1	REAL300019682332	1	47	-1.0	-44.57	391.14	4.16	-40.41
CS(=O)(=O)N1CCC(OCC(=O)NCC2=N[N-]N=N2)CC1	REAL300019682333	0	38	-1.0	-44.07	327.49	-1.65	-45.72
CS(=O)(=O)N1CCC(OCC(=O)NCC2=NN=N[N-]2)CC1	REAL300019682333	1	38	-1.0	-44.11	327.55	-1.63	-45.74
N#CC1=CC=CC=C1C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682334	0	34	-1.0	-43.34	309.43	4.97	-38.37
N#CC1=CC=CC=C1C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682334	1	34	-1.0	-43.35	309.49	4.99	-38.36
O=C(NCC1=NN=N[N-]1)C1=NN(CC(F)(F)F)C=C1Br	REAL300019682335	0	26	-1.0	-45.38	275.75	1.01	-44.37
O=C(NCC1=N[N-]N=N1)C1=NN(CC(F)(F)F)C=C1Br	REAL300019682335	1	26	-1.0	-45.38	275.70	1.00	-44.38
O=C(CCC1=CSC(Br)=C1)NCC1=N[N-]N=N1	REAL300019682336	0	26	-1.0	-35.23	269.24	2.40	-32.83
O=C(CCC1=CSC(Br)=C1)NCC1=NN=N[N-]1	REAL300019682336	1	26	-1.0	-35.18	269.30	2.40	-32.78
CCC1=C(C(=O)NCC2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL300019682337	0	40	-1.0	-41.57	341.70	4.73	-36.84
CCC1=C(C(=O)NCC2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300019682337	1	40	-1.0	-41.58	341.76	4.75	-36.83
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl	REAL300019682338	0	30	-1.0	-37.56	299.64	4.30	-33.26
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl	REAL300019682338	1	30	-1.0	-37.57	299.70	4.32	-33.25
CCOC1=CC=C2NC(C(=O)NCC3=N[N-]N=N3)=C(C)C2=C1	REAL300019682339	0	37	-1.0	-37.03	314.31	2.07	-34.96
CCOC1=CC=C2NC(C(=O)NCC3=NN=N[N-]3)=C(C)C2=C1	REAL300019682339	1	37	-1.0	-37.00	314.37	2.09	-34.91
COC1=CC=CC(Br)=C1C(=O)NCC1=N[N-]N=N1	REAL300019682340	0	27	-1.0	-42.51	264.55	0.97	-41.54
COC1=CC=CC(Br)=C1C(=O)NCC1=NN=N[N-]1	REAL300019682340	1	27	-1.0	-42.53	264.61	0.98	-41.55
O=C(NCC1=N[N-]N=N1)C1=C(F)C=CC(Br)=C1Cl	REAL300019682341	0	23	-1.0	-38.67	256.71	2.14	-36.53
O=C(NCC1=NN=N[N-]1)C1=C(F)C=CC(Br)=C1Cl	REAL300019682341	1	23	-1.0	-38.64	256.76	2.16	-36.48
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300019682342	0	43	-1.0	-35.93	382.05	2.83	-33.10
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300019682342	1	43	-1.0	-35.94	382.11	2.85	-33.09
C#CCC1(C(=O)NCC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019682343	0	48	-1.0	-39.23	371.57	3.96	-35.27
C#CCC1(C(=O)NCC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019682343	1	48	-1.0	-39.20	371.62	3.98	-35.22
COC(=O)C1=C2C=C(C(=O)NCC3=N[N-]N=N3)SC2=CC=C1	REAL300019682344	0	32	-1.0	-44.31	301.51	3.17	-41.14
COC(=O)C1=C2C=C(C(=O)NCC3=NN=N[N-]3)SC2=CC=C1	REAL300019682344	1	32	-1.0	-44.33	301.57	3.18	-41.15
CC(C)(C)OC(=O)N1CS(=O)(=O)CCC1C(=O)NCC1=N[N-]N=N1	REAL300019682345	0	43	-1.0	-51.21	354.74	-1.24	-52.45
CC(C)(C)OC(=O)N1CS(=O)(=O)CCC1C(=O)NCC1=NN=N[N-]1	REAL300019682345	1	43	-1.0	-51.20	354.80	-1.22	-52.42
CN1C=C2C(=N1)CCN(C(=O)OC(C)(C)C)C2C(=O)NCC1=N[N-]N=N1	REAL300019682346	0	47	-1.0	-41.05	378.72	2.51	-38.54
CN1C=C2C(=N1)CCN(C(=O)OC(C)(C)C)C2C(=O)NCC1=NN=N[N-]1	REAL300019682346	1	47	-1.0	-41.10	378.77	2.52	-38.58
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCC1=N[N-]N=N1)CCOCC2	REAL300019682347	0	51	-1.0	-43.31	393.59	1.95	-41.36
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCC1=NN=N[N-]1)CCOCC2	REAL300019682347	1	51	-1.0	-43.28	393.65	1.97	-41.31
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=N[N-]N=N3)(C1)C(C)(C)O2	REAL300019682348	0	51	-1.0	-37.22	399.97	0.30	-36.92
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NN=N[N-]3)(C1)C(C)(C)O2	REAL300019682348	1	51	-1.0	-37.18	400.02	0.31	-36.87
CC12CC3(C)CC(O)(C1)CC(C(=O)NCC1=N[N-]N=N1)(C2)C3	REAL300019682349	0	44	-1.0	-36.71	327.45	0.81	-35.90
CC12CC3(C)CC(O)(C1)CC(C(=O)NCC1=NN=N[N-]1)(C2)C3	REAL300019682349	1	44	-1.0	-36.72	327.50	0.82	-35.90
CC(C)(C)OC(=O)NOC(CC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682350	0	47	-1.0	-41.98	390.56	4.54	-37.44
CC(C)(C)OC(=O)NOC(CC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682350	1	47	-1.0	-42.00	390.62	4.55	-37.45
CC(C)(C)OC(=O)NCC1CC(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682351	0	43	-1.0	-38.96	349.83	0.60	-38.36
CC(C)(C)OC(=O)NCC1CC(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682351	1	43	-1.0	-38.93	349.88	0.61	-38.32
CC(C)(C)OC(=O)N1CCOC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL300019682352	0	45	-1.0	-41.31	363.32	2.76	-38.55
CC(C)(C)OC(=O)N1CCOC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL300019682352	1	45	-1.0	-41.29	363.38	2.77	-38.52
O=C(NCC1=NN=N[N-]1)C1=CC=C(Br)C2=CC=CN=C12	REAL300019682353	0	28	-1.0	-41.39	269.14	2.58	-38.81
O=C(NCC1=N[N-]N=N1)C1=CC=C(Br)C2=CC=CN=C12	REAL300019682353	1	28	-1.0	-41.42	269.09	2.56	-38.86
O=C(NCC1=N[N-]N=N1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300019682354	0	29	-1.0	-42.98	275.09	1.30	-41.68
O=C(NCC1=NN=N[N-]1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300019682354	1	29	-1.0	-42.98	275.15	1.31	-41.67
C[C@@H](CC(=O)NCC1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019682355	0	36	-1.0	-35.93	317.01	2.94	-32.99
C[C@@H](CC(=O)NCC1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019682355	1	36	-1.0	-35.91	317.07	2.95	-32.96
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)COC1	REAL300019682356	0	41	-1.0	-39.64	334.74	-1.37	-41.01
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)COC1	REAL300019682356	1	41	-1.0	-39.61	334.80	-1.36	-40.97
CC(C)(C)OC(=O)N1CC(F)(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)C1	REAL300019682357	0	47	-1.0	-42.25	391.07	4.14	-38.11
CC(C)(C)OC(=O)N1CC(F)(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)C1	REAL300019682357	1	47	-1.0	-42.26	391.13	4.16	-38.10
O=C(CC1=CNC2=CC(OCC3=CC=CC=C3)=CC=C12)NCC1=N[N-]N=N1	REAL300019682358	0	44	-1.0	-42.23	379.28	5.25	-36.98
O=C(CC1=CNC2=CC(OCC3=CC=CC=C3)=CC=C12)NCC1=NN=N[N-]1	REAL300019682358	1	44	-1.0	-42.19	379.34	5.26	-36.93
O=C(NCC1=N[N-]N=N1)C1COC2=C(Br)C=CC=C2C1	REAL300019682359	0	31	-1.0	-36.11	286.34	2.46	-33.65
O=C(NCC1=NN=N[N-]1)C1COC2=C(Br)C=CC=C2C1	REAL300019682359	1	31	-1.0	-36.11	286.40	2.48	-33.63
CCCN1C(=O)CC(C(=O)NCC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL300019682360	0	43	-1.0	-39.81	354.33	4.26	-35.55
CCCN1C(=O)CC(C(=O)NCC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL300019682360	1	43	-1.0	-39.84	354.39	4.28	-35.56
COC1=CC=C(F)C=C1CC1(C(=O)NCC2=N[N-]N=N2)CC1	REAL300019682361	0	37	-1.0	-41.23	322.96	3.23	-38.00
COC1=CC=C(F)C=C1CC1(C(=O)NCC2=NN=N[N-]2)CC1	REAL300019682361	1	37	-1.0	-41.20	323.01	3.24	-37.96
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300019682362	0	29	-1.0	-35.28	287.01	2.76	-32.52
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300019682362	1	29	-1.0	-35.27	286.95	2.75	-32.52
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL300019682363	0	29	-1.0	-38.89	282.69	2.92	-35.97
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL300019682363	1	29	-1.0	-38.87	282.63	2.90	-35.97
COC1=CC(CC(NC(=O)OC(C)(C)C)C(=O)NCC2=N[N-]N=N2)=CC=C1O	REAL300019682364	0	51	-1.0	-42.60	413.30	0.42	-42.18
COC1=CC(CC(NC(=O)OC(C)(C)C)C(=O)NCC2=NN=N[N-]2)=CC=C1O	REAL300019682364	1	51	-1.0	-42.59	413.36	0.43	-42.16
COC(=O)C1=C(NC(=O)C(F)(F)F)C=C(C(=O)NCC2=N[N-]N=N2)S1	REAL300019682365	0	33	-1.0	-35.91	330.10	0.49	-35.42
COC(=O)C1=C(NC(=O)C(F)(F)F)C=C(C(=O)NCC2=NN=N[N-]2)S1	REAL300019682365	1	33	-1.0	-35.95	330.16	0.50	-35.45
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)CCC1	REAL300019682366	0	43	-1.0	-38.74	348.35	0.46	-38.28
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)CCC1	REAL300019682366	1	43	-1.0	-38.76	348.40	0.48	-38.28
CC(C)(C)OC(=O)NC1(C(=O)NCC2=N[N-]N=N2)CCC(C(F)F)CC1	REAL300019682367	0	49	-1.0	-45.03	381.42	1.99	-43.04
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NN=N[N-]2)CCC(C(F)F)CC1	REAL300019682367	1	49	-1.0	-45.05	381.48	2.00	-43.05
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=N[N-]N=N3)(C1)C1(CCC1)O2	REAL300019682368	0	52	-1.0	-37.15	410.35	1.06	-36.09
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NN=N[N-]3)(C1)C1(CCC1)O2	REAL300019682368	1	52	-1.0	-37.18	410.41	1.07	-36.11
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)NCC1=N[N-]N=N1)C2	REAL300019682369	0	48	-1.0	-37.54	386.37	-0.22	-37.76
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)NCC1=NN=N[N-]1)C2	REAL300019682369	1	48	-1.0	-37.56	386.43	-0.21	-37.77
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=N[N-]N=N2)SC(Cl)=C1	REAL300019682370	0	37	-1.0	-34.45	336.10	1.30	-33.15
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=NN=N[N-]2)SC(Cl)=C1	REAL300019682370	1	37	-1.0	-34.50	336.16	1.31	-33.19
COC(=O)[C@@H](CC(=O)NCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019682371	0	42	-1.0	-42.45	355.95	0.25	-42.20
COC(=O)[C@@H](CC(=O)NCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019682371	1	42	-1.0	-42.46	356.01	0.27	-42.19
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1CC(=O)NCC1=N[N-]N=N1	REAL300019682372	0	50	-1.0	-35.94	384.58	5.05	-30.89
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1CC(=O)NCC1=NN=N[N-]1	REAL300019682372	1	50	-1.0	-35.95	384.63	5.06	-30.89
CC(C)(C)OC(=O)N1CC2(CC1CC(=O)NCC1=N[N-]N=N1)CCOCC2	REAL300019682373	0	54	-1.0	-39.67	411.22	2.42	-37.25
CC(C)(C)OC(=O)N1CC2(CC1CC(=O)NCC1=NN=N[N-]1)CCOCC2	REAL300019682373	1	54	-1.0	-39.63	411.28	2.43	-37.20
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=N[N-]N=N2)CC12CC2	REAL300019682374	0	50	-1.0	-37.96	385.31	3.86	-34.10
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NN=N[N-]2)CC12CC2	REAL300019682374	1	50	-1.0	-37.97	385.37	3.87	-34.10
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)NCC3=N[N-]N=N3)=CC2=C1	REAL300019682375	0	44	-1.0	-38.37	367.20	1.42	-36.95
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)NCC3=NN=N[N-]3)=CC2=C1	REAL300019682375	1	44	-1.0	-38.35	367.25	1.44	-36.91
CC1=NSC(I)=C1C(=O)NCC1=N[N-]N=N1	REAL300019682376	0	22	-1.0	-33.22	248.14	0.43	-32.79
CC1=NSC(I)=C1C(=O)NCC1=NN=N[N-]1	REAL300019682376	1	22	-1.0	-33.21	248.20	0.45	-32.76
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019682377	0	33	-1.0	-34.89	301.88	2.85	-32.04
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019682377	1	33	-1.0	-34.89	301.94	2.86	-32.03
O=C(NCC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2	REAL300019682378	0	37	-1.0	-36.93	318.29	5.36	-31.57
O=C(NCC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2	REAL300019682378	1	37	-1.0	-36.96	318.34	5.37	-31.59
N#CC1=CC=C(CCC(=O)NCC2=N[N-]N=N2)C(Br)=C1	REAL300019682379	0	30	-1.0	-38.14	295.58	3.58	-34.56
N#CC1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C(Br)=C1	REAL300019682379	1	30	-1.0	-38.10	295.63	3.59	-34.51
O=C(NCC1=NN=N[N-]1)C(F)(F)C1=CSC=C1Br	REAL300019682380	0	23	-1.0	-36.02	253.67	1.45	-34.57
O=C(NCC1=N[N-]N=N1)C(F)(F)C1=CSC=C1Br	REAL300019682380	1	23	-1.0	-36.03	253.62	1.44	-34.59
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CSC=C1Br	REAL300019682380	1	22	-2.0	-104.26	251.25	-0.08	-104.34
COCCCCC(CC1=CC=C(Br)C=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682381	0	45	-1.0	-39.94	394.23	5.13	-34.81
COCCCCC(CC1=CC=C(Br)C=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682381	1	45	-1.0	-39.92	394.30	5.16	-34.76
CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019682382	0	32	-1.0	-35.93	291.01	2.53	-33.40
CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019682382	1	32	-1.0	-35.93	291.07	2.54	-33.39
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1CCC2=CC=CC=C21	REAL300019682383	0	50	-1.0	-42.40	396.91	4.33	-38.07
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1CCC2=CC=CC=C21	REAL300019682383	1	50	-1.0	-42.42	396.97	4.35	-38.07
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)CC12CCC2	REAL300019682384	0	47	-1.0	-38.92	383.66	1.90	-37.02
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)CC12CCC2	REAL300019682384	1	47	-1.0	-38.92	383.72	1.92	-37.00
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=CC(F)=C1F	REAL300019682385	0	23	-1.0	-35.31	243.70	2.01	-33.30
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=CC(F)=C1F	REAL300019682385	1	23	-1.0	-35.30	243.75	2.02	-33.28
CC(C)(C)OC(=O)NCC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682386	0	50	-1.0	-40.27	412.01	3.72	-36.55
CC(C)(C)OC(=O)NCC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682386	1	50	-1.0	-40.28	412.07	3.73	-36.55
CC(C)(C)OC(=O)NCC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682387	0	50	-1.0	-39.77	412.00	3.73	-36.04
CC(C)(C)OC(=O)NCC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682387	1	50	-1.0	-39.82	412.06	3.75	-36.07
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682388	0	49	-1.0	-34.41	383.54	3.24	-31.17
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682388	1	49	-1.0	-34.40	383.61	3.25	-31.15
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NCC2C(=O)NCC1=N[N-]N=N1	REAL300019682389	0	54	-1.0	-45.71	401.27	1.14	-44.57
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NCC2C(=O)NCC1=NN=N[N-]1	REAL300019682389	1	54	-1.0	-45.72	401.33	1.15	-44.57
C[C@@H]1CCC[C@H](C(=O)NCC2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL300019682390	0	46	-1.0	-44.88	349.61	3.34	-41.54
C[C@@H]1CCC[C@H](C(=O)NCC2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL300019682390	1	46	-1.0	-44.82	349.67	3.36	-41.46
C=CCOCC1(C(=O)NCC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)CCO1	REAL300019682391	0	52	-1.0	-45.19	415.61	2.05	-43.14
C=CCOCC1(C(=O)NCC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)CCO1	REAL300019682391	1	52	-1.0	-45.19	415.67	2.07	-43.12
CCC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682392	0	52	-1.0	-35.42	400.20	4.36	-31.06
CCC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682392	1	52	-1.0	-35.37	400.26	4.38	-30.99
COC(=O)[C@@]12CC[C@]1(C(=O)NCC1=N[N-]N=N1)CN(C(=O)OC(C)(C)C)C2	REAL300019682393	0	50	-1.0	-48.25	403.94	2.56	-45.69
COC(=O)[C@@]12CC[C@]1(C(=O)NCC1=NN=N[N-]1)CN(C(=O)OC(C)(C)C)C2	REAL300019682393	1	50	-1.0	-48.24	403.99	2.57	-45.67
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NCC2=N[N-]N=N2)CC1	REAL300019682394	0	47	-1.0	-46.44	362.03	3.68	-42.76
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NCC2=NN=N[N-]2)CC1	REAL300019682394	1	47	-1.0	-46.46	362.09	3.70	-42.76
CCOC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682395	0	50	-1.0	-38.09	411.53	2.35	-35.74
CCOC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682395	1	50	-1.0	-38.10	411.59	2.36	-35.74
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682396	0	47	-1.0	-37.76	363.90	1.87	-35.89
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682396	1	47	-1.0	-37.79	363.98	1.89	-35.90
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1CCCCO1	REAL300019682397	0	47	-1.0	-36.09	366.34	-0.13	-36.22
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1CCCCO1	REAL300019682397	1	47	-1.0	-36.14	366.40	-0.12	-36.26
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NCC1=N[N-]N=N1)C2	REAL300019682398	0	47	-1.0	-46.34	367.75	2.99	-43.35
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NCC1=NN=N[N-]1)C2	REAL300019682398	1	47	-1.0	-46.32	367.80	3.01	-43.31
CCC(CCC(=O)NCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019682399	0	45	-1.0	-37.68	357.78	1.12	-36.56
CCC(CCC(=O)NCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019682399	1	45	-1.0	-37.64	357.84	1.13	-36.51
CC(C)(C)OC(=O)N[C@@H](CCSC(F)(F)F)C(=O)NCC1=N[N-]N=N1	REAL300019682400	0	43	-1.0	-34.38	378.24	1.31	-33.07
CC(C)(C)OC(=O)N[C@@H](CCSC(F)(F)F)C(=O)NCC1=NN=N[N-]1	REAL300019682400	1	43	-1.0	-34.39	378.30	1.33	-33.06
CC(C)(C)OC(=O)NCC1=CC=CC=C1CCC(=O)NCC1=N[N-]N=N1	REAL300019682401	0	49	-1.0	-41.40	398.51	3.28	-38.12
CC(C)(C)OC(=O)NCC1=CC=CC=C1CCC(=O)NCC1=NN=N[N-]1	REAL300019682401	1	49	-1.0	-41.39	398.57	3.30	-38.09
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=N[N-]N=N2)CC1	REAL300019682402	0	43	-1.0	-40.99	353.91	1.03	-39.96
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=NN=N[N-]2)CC1	REAL300019682402	1	43	-1.0	-40.99	353.97	1.05	-39.94
CC(C)(C)OC(=O)N1CCS(=O)(=O)CC(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682403	0	46	-1.0	-51.00	373.27	-0.27	-51.27
CC(C)(C)OC(=O)N1CCS(=O)(=O)CC(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682403	1	46	-1.0	-50.98	373.33	-0.26	-51.24
CC1=C(F)C=CC(Br)=C1C(=O)NCC1=N[N-]N=N1	REAL300019682404	0	26	-1.0	-36.32	260.14	2.18	-34.14
CC1=C(F)C=CC(Br)=C1C(=O)NCC1=NN=N[N-]1	REAL300019682404	1	26	-1.0	-36.34	260.20	2.20	-34.14
O=C(NCC1=N[N-]N=N1)C1=COC2=C(Br)C=CC=C12	REAL300019682405	0	26	-1.0	-37.65	261.56	2.19	-35.46
O=C(NCC1=NN=N[N-]1)C1=COC2=C(Br)C=CC=C12	REAL300019682405	1	26	-1.0	-37.62	261.61	2.21	-35.41
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)NCC1=N[N-]N=N1	REAL300019682406	0	42	-1.0	-47.68	337.86	4.59	-43.09
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)NCC1=NN=N[N-]1	REAL300019682406	1	42	-1.0	-47.68	337.91	4.60	-43.08
CC(C)(C)N1CCCC(C)(C(=O)NCC2=N[N-]N=N2)S1(=O)=O	REAL300019682407	0	43	-1.0	-39.83	329.43	0.49	-39.34
CC(C)(C)N1CCCC(C)(C(=O)NCC2=NN=N[N-]2)S1(=O)=O	REAL300019682407	1	43	-1.0	-39.86	329.49	0.50	-39.36
O=C(NCC1=N[N-]N=N1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300019682408	0	33	-1.0	-37.81	311.73	4.64	-33.17
O=C(NCC1=NN=N[N-]1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300019682408	1	33	-1.0	-37.81	311.79	4.65	-33.16
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300019682409	0	33	-1.0	-39.18	300.10	4.06	-35.12
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300019682409	1	33	-1.0	-39.12	300.16	4.08	-35.04
O=C(NCC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300019682410	0	37	-1.0	-40.35	311.55	2.70	-37.65
O=C(NCC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300019682410	1	37	-1.0	-40.33	311.61	2.71	-37.62
O=C(NCC1=N[N-]N=N1)C(=O)C1=CSC=C1Br	REAL300019682411	0	22	-1.0	-36.59	241.08	0.64	-35.95
O=C(NCC1=NN=N[N-]1)C(=O)C1=CSC=C1Br	REAL300019682411	1	22	-1.0	-36.63	241.14	0.65	-35.98
O=C(NCC1=N[N-]N=N1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300019682412	0	33	-1.0	-40.98	291.13	0.79	-40.19
O=C(NCC1=NN=N[N-]1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300019682412	1	33	-1.0	-41.01	291.19	0.81	-40.20
O=C(NCC1=N[N-]N=N1)C1=CSC(Br)=C1Cl	REAL300019682413	0	20	-1.0	-35.77	237.30	1.37	-34.40
O=C(NCC1=NN=N[N-]1)C1=CSC(Br)=C1Cl	REAL300019682413	1	20	-1.0	-35.74	237.36	1.38	-34.36
O=C(NCC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2	REAL300019682414	0	37	-1.0	-38.35	318.64	5.34	-33.01
O=C(NCC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2	REAL300019682414	1	37	-1.0	-38.37	318.69	5.35	-33.02
CC(C)(C)OC(=O)NC1(C(=O)NCC2=N[N-]N=N2)CCCC2CC21	REAL300019682415	0	47	-1.0	-42.20	362.94	2.38	-39.82
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NN=N[N-]2)CCCC2CC21	REAL300019682415	1	47	-1.0	-42.20	363.00	2.39	-39.81
O=C(NCC1=N[N-]N=N1)C(CC1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300019682416	0	48	-1.0	-38.00	386.12	7.54	-30.46
O=C(NCC1=NN=N[N-]1)C(CC1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300019682416	1	48	-1.0	-38.00	386.18	7.55	-30.45
COC1=CC(F)=C(C(=O)NCC2=N[N-]N=N2)C=C1Br	REAL300019682417	0	27	-1.0	-37.82	265.89	1.30	-36.52
COC1=CC(F)=C(C(=O)NCC2=NN=N[N-]2)C=C1Br	REAL300019682417	1	27	-1.0	-37.80	265.95	1.31	-36.49
O=C(NCC1=N[N-]N=N1)C1=CC=CC(I)=C1F	REAL300019682418	0	23	-1.0	-38.34	243.01	2.38	-35.96
O=C(NCC1=NN=N[N-]1)C1=CC=CC(I)=C1F	REAL300019682418	1	23	-1.0	-38.31	243.07	2.40	-35.91
CC(C)(C)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300019682419	0	37	-1.0	-43.19	314.36	4.91	-38.28
CC(C)(C)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300019682419	1	37	-1.0	-43.16	314.41	4.92	-38.24
O=C(NCC1=N[N-]N=N1)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300019682420	0	39	-1.0	-35.34	348.82	6.53	-28.81
O=C(NCC1=NN=N[N-]1)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300019682420	1	39	-1.0	-35.36	348.90	6.55	-28.81
O=C(NCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300019682421	0	45	-1.0	-36.30	345.94	6.58	-29.72
O=C(NCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300019682421	1	45	-1.0	-36.31	345.99	6.60	-29.71
O=C(NCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1OCC1=CC=CC=C1	REAL300019682422	0	40	-1.0	-41.95	359.66	6.77	-35.18
O=C(NCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1OCC1=CC=CC=C1	REAL300019682422	1	40	-1.0	-41.96	359.72	6.79	-35.17
CC(CC(=O)NCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019682423	0	36	-1.0	-35.48	317.00	2.95	-32.53
CC(CC(=O)NCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019682423	1	36	-1.0	-35.51	317.06	2.96	-32.55
COC(=O)C1=CSC2=C1NC(C(=O)NCC1=N[N-]N=N1)=C2	REAL300019682424	0	30	-1.0	-42.19	291.56	0.89	-41.30
COC(=O)C1=CSC2=C1NC(C(=O)NCC1=NN=N[N-]1)=C2	REAL300019682424	1	30	-1.0	-42.23	291.62	0.90	-41.33
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=N[N-]N=N3)N2)S1	REAL300019682425	0	30	-1.0	-36.52	291.80	1.02	-35.50
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NN=N[N-]3)N2)S1	REAL300019682425	1	30	-1.0	-36.57	291.86	1.04	-35.53
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682426	0	46	-1.0	-39.95	384.09	2.38	-37.57
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682426	1	46	-1.0	-39.99	384.15	2.40	-37.59
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)NCC1=N[N-]N=N1	REAL300019682427	0	50	-1.0	-38.68	391.57	4.76	-33.92
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)NCC1=NN=N[N-]1	REAL300019682427	1	50	-1.0	-38.67	391.63	4.78	-33.89
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC2=N[N-]N=N2)C1	REAL300019682428	0	46	-1.0	-37.76	363.01	1.30	-36.46
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC2=NN=N[N-]2)C1	REAL300019682428	1	46	-1.0	-37.76	363.07	1.31	-36.45
CC(C)(C)OC(=O)NCCC(F)C(=O)NCC1=N[N-]N=N1	REAL300019682429	0	39	-1.0	-38.88	330.46	-0.49	-39.37
CC(C)(C)OC(=O)NCCC(F)C(=O)NCC1=NN=N[N-]1	REAL300019682429	1	39	-1.0	-38.85	330.52	-0.48	-39.33
O=C(NCC1=N[N-]N=N1)C1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300019682430	0	33	-1.0	-39.19	292.51	0.87	-38.32
O=C(NCC1=NN=N[N-]1)C1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300019682430	1	33	-1.0	-39.21	292.57	0.89	-38.32
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NCC1=N[N-]N=N1	REAL300019682431	0	37	-1.0	-39.19	331.75	2.93	-36.26
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NCC1=NN=N[N-]1	REAL300019682431	1	37	-1.0	-39.17	331.81	2.94	-36.23
O=C(NCC1=N[N-]N=N1)C1=CC(F)=C(I)C(F)=C1	REAL300019682432	0	23	-1.0	-32.17	250.36	2.42	-29.75
O=C(NCC1=NN=N[N-]1)C1=CC(F)=C(I)C(F)=C1	REAL300019682432	1	23	-1.0	-32.18	250.42	2.43	-29.75
O=C(NCC1(C(=O)NCC2=N[N-]N=N2)COC1)OCC1=CC=CC=C1	REAL300019682433	0	42	-1.0	-40.82	361.63	0.58	-40.24
O=C(NCC1(C(=O)NCC2=NN=N[N-]2)COC1)OCC1=CC=CC=C1	REAL300019682433	1	42	-1.0	-40.78	361.69	0.60	-40.18
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=C3OCCOC3=C2)=NN1	REAL300019682434	0	36	-1.0	-38.91	317.55	0.43	-38.48
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=C3OCCOC3=C2)=NN1	REAL300019682434	1	36	-1.0	-38.90	317.61	0.45	-38.45
O=C(NCC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300019682435	0	37	-1.0	-38.43	314.07	5.24	-33.19
O=C(NCC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300019682435	1	37	-1.0	-38.42	314.12	5.26	-33.16
CC1=CC(Cl)=C(C(=O)NCC2=N[N-]N=N2)C=C1Br	REAL300019682436	0	26	-1.0	-36.11	263.53	2.94	-33.17
CC1=CC(Cl)=C(C(=O)NCC2=NN=N[N-]2)C=C1Br	REAL300019682436	1	26	-1.0	-36.11	263.59	2.96	-33.15
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C=C(Br)C=C1[N+](=O)[O-]	REAL300019682437	0	25	-1.0	-40.38	277.15	3.06	-37.32
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C=C(Br)C=C1[N+](=O)[O-]	REAL300019682437	1	25	-1.0	-40.36	277.21	3.07	-37.29
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(Cl)C=C21)NCC1=N[N-]N=N1	REAL300019682438	0	43	-1.0	-38.85	382.53	6.65	-32.20
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(Cl)C=C21)NCC1=NN=N[N-]1	REAL300019682438	1	43	-1.0	-38.87	382.58	6.65	-32.22
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NCC1=N[N-]N=N1	REAL300019682439	0	36	-1.0	-36.22	308.26	3.92	-32.30
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NCC1=NN=N[N-]1	REAL300019682439	1	36	-1.0	-36.22	308.31	3.93	-32.29
CC1=C(C(=O)NCC2=NN=N[N-]2)C(C2=CC=CC=C2F)=NO1	REAL300019682440	0	32	-1.0	-39.13	293.77	2.94	-36.19
CC1=C(C(=O)NCC2=N[N-]N=N2)C(C2=CC=CC=C2F)=NO1	REAL300019682440	1	32	-1.0	-39.08	293.71	2.92	-36.16
O=C(NCC1=N[N-]N=N1)C1(C(F)(F)F)CC2CCC1CC2	REAL300019682441	0	36	-1.0	-35.05	279.57	3.19	-31.86
O=C(NCC1=NN=N[N-]1)C1(C(F)(F)F)CC2CCC1CC2	REAL300019682441	1	36	-1.0	-35.04	279.62	3.20	-31.84
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682442	0	48	-1.0	-37.57	381.69	5.46	-32.11
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682442	1	48	-1.0	-37.56	381.75	5.48	-32.08
O=C(CCCN1CC2=CC=CC=C2C1=O)NCC1=N[N-]N=N1	REAL300019682443	0	37	-1.0	-47.75	322.52	2.91	-44.84
O=C(CCCN1CC2=CC=CC=C2C1=O)NCC1=NN=N[N-]1	REAL300019682443	1	37	-1.0	-47.73	322.57	2.93	-44.80
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NCC1=N[N-]N=N1	REAL300019682444	0	35	-1.0	-45.47	318.37	4.32	-41.15
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NCC1=NN=N[N-]1	REAL300019682444	1	35	-1.0	-45.43	318.43	4.34	-41.09
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682445	0	43	-1.0	-35.65	345.04	-1.40	-37.05
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682445	1	43	-1.0	-35.65	345.09	-1.38	-37.03
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCC2=NN=N[N-]2)C=N1	REAL300019682446	0	46	-1.0	-38.78	364.93	-0.06	-38.84
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCC2=N[N-]N=N2)C=N1	REAL300019682446	1	46	-1.0	-38.75	364.90	-0.07	-38.82
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=N[N-]N=N2)OC(C)(C)C1	REAL300019682447	0	50	-1.0	-40.89	390.25	3.06	-37.83
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NN=N[N-]2)OC(C)(C)C1	REAL300019682447	1	50	-1.0	-40.92	390.31	3.07	-37.85
CC(C(=O)NCC1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019682448	0	46	-1.0	-43.96	362.91	2.58	-41.38
CC(C(=O)NCC1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019682448	1	46	-1.0	-43.98	362.96	2.59	-41.39
CC1=CC(C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC(Br)=C1	REAL300019682449	0	33	-1.0	-44.33	314.51	3.45	-40.88
CC1=CC(C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC(Br)=C1	REAL300019682449	1	33	-1.0	-44.32	314.57	3.47	-40.85
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NCC1=N[N-]N=N1	REAL300019682450	0	45	-1.0	-37.66	358.78	5.43	-32.23
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NCC1=NN=N[N-]1	REAL300019682450	1	45	-1.0	-37.67	358.84	5.44	-32.23
COCC1(C(=O)NCC2=N[N-]N=N2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300019682451	0	53	-1.0	-46.63	392.50	3.80	-42.83
COCC1(C(=O)NCC2=NN=N[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300019682451	1	53	-1.0	-46.60	392.56	3.81	-42.79
CC(C)CC(NC(=O)OC(C)(C)C)(C(=O)NCC1=N[N-]N=N1)C(F)(F)F	REAL300019682452	0	48	-1.0	-33.61	376.40	2.74	-30.87
CC(C)CC(NC(=O)OC(C)(C)C)(C(=O)NCC1=NN=N[N-]1)C(F)(F)F	REAL300019682452	1	48	-1.0	-33.60	376.46	2.76	-30.84
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCC3=N[N-]N=N3)CCC2)CC1	REAL300019682453	0	53	-1.0	-46.11	399.66	4.61	-41.50
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCC3=NN=N[N-]3)CCC2)CC1	REAL300019682453	1	53	-1.0	-46.14	399.72	4.63	-41.51
O=C(NCC1=N[N-]N=N1)C1COC2=CC=C(Br)C=C2C1	REAL300019682454	0	31	-1.0	-34.30	287.48	2.37	-31.93
O=C(NCC1=NN=N[N-]1)C1COC2=CC=C(Br)C=C2C1	REAL300019682454	1	31	-1.0	-34.28	287.54	2.39	-31.89
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCC1=N[N-]N=N1	REAL300019682455	0	36	-1.0	-42.88	308.28	-2.48	-45.36
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCC1=NN=N[N-]1	REAL300019682455	1	36	-1.0	-42.87	308.34	-2.46	-45.33
O=C(CC1CCC2=CC(Br)=CC=C21)NCC1=N[N-]N=N1	REAL300019682456	0	33	-1.0	-35.05	298.89	4.31	-30.74
O=C(CC1CCC2=CC(Br)=CC=C21)NCC1=NN=N[N-]1	REAL300019682456	1	33	-1.0	-35.09	298.95	4.33	-30.76
CC(C)(C)OC(=O)NCC1=CC=C(CC(C)(C)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682457	0	55	-1.0	-38.62	435.08	4.02	-34.60
CC(C)(C)OC(=O)NCC1=CC=C(CC(C)(C)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682457	1	55	-1.0	-38.65	435.15	4.03	-34.62
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)NCC1=N[N-]N=N1	REAL300019682458	0	46	-1.0	-37.05	379.52	6.76	-30.29
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)NCC1=NN=N[N-]1	REAL300019682458	1	46	-1.0	-37.06	379.58	6.78	-30.28
O=C(NCC1=NN=N[N-]1)C1=C(Cl)SC2=C1SN=N2	REAL300019682459	0	21	-1.0	-34.85	247.83	-0.42	-35.27
O=C(NCC1=N[N-]N=N1)C1=C(Cl)SC2=C1SN=N2	REAL300019682459	1	21	-1.0	-34.86	247.78	-0.43	-35.29
CC(C)C(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682460	0	55	-1.0	-35.96	418.78	4.82	-31.14
CC(C)C(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682460	1	55	-1.0	-35.87	418.84	4.83	-31.04
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682461	0	46	-1.0	-43.56	365.98	2.65	-40.91
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682461	1	46	-1.0	-43.60	366.04	2.66	-40.94
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NCC1=N[N-]N=N1	REAL300019682462	0	46	-1.0	-43.58	366.05	2.66	-40.92
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NCC1=NN=N[N-]1	REAL300019682462	1	46	-1.0	-43.59	366.11	2.68	-40.91
CC(C)(C)OC(=O)NC1(C(=O)NCC2=N[N-]N=N2)CC2(C1)CCOCC2	REAL300019682463	0	51	-1.0	-41.20	392.51	1.79	-39.41
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NN=N[N-]2)CC2(C1)CCOCC2	REAL300019682463	1	51	-1.0	-41.20	392.56	1.81	-39.39
COC(=O)C1=CC(C)=C2C=C(C(=O)NCC3=N[N-]N=N3)NC2=C1	REAL300019682464	0	36	-1.0	-38.26	320.72	2.44	-35.82
COC(=O)C1=CC(C)=C2C=C(C(=O)NCC3=NN=N[N-]3)NC2=C1	REAL300019682464	1	36	-1.0	-38.27	320.78	2.46	-35.81
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)CCCO1	REAL300019682465	0	44	-1.0	-39.06	352.79	-0.46	-39.52
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)CCCO1	REAL300019682465	1	44	-1.0	-39.07	352.85	-0.44	-39.51
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(C(C)(C)C)C=C1	REAL300019682466	0	55	-1.0	-43.25	426.20	5.30	-37.95
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL300019682466	1	55	-1.0	-43.24	426.26	5.31	-37.93
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCC3=N[N-]N=N3)CCC2)CC1	REAL300019682467	0	51	-1.0	-38.16	397.67	4.50	-33.66
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCC3=NN=N[N-]3)CCC2)CC1	REAL300019682467	1	51	-1.0	-38.21	397.73	4.51	-33.70
CC(C)(C)OC(=O)NC1(C(=O)NCC2=N[N-]N=N2)CC=CC1	REAL300019682468	0	41	-1.0	-41.62	331.78	0.58	-41.04
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NN=N[N-]2)CC=CC1	REAL300019682468	1	41	-1.0	-41.59	331.83	0.60	-40.99
O=C(NCC1=N[N-]N=N1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300019682469	0	36	-1.0	-42.68	316.77	3.81	-38.87
O=C(NCC1=NN=N[N-]1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300019682469	1	36	-1.0	-42.68	316.82	3.82	-38.86
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NCC1=N[N-]N=N1)=NO2	REAL300019682470	0	43	-1.0	-44.14	355.52	1.90	-42.24
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NCC1=NN=N[N-]1)=NO2	REAL300019682470	1	43	-1.0	-44.11	355.58	1.92	-42.19
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682471	0	48	-1.0	-38.57	371.04	1.53	-37.04
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682471	1	48	-1.0	-38.56	371.10	1.56	-37.00
CC(OC1=CC=C(Cl)C=C1CC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682472	0	43	-1.0	-37.98	377.93	7.42	-30.56
CC(OC1=CC=C(Cl)C=C1CC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682472	1	43	-1.0	-37.98	377.98	7.43	-30.55
O=C(NCC1=N[N-]N=N1)C1CC2=CC(Br)=CN=C2C1	REAL300019682473	0	29	-1.0	-35.89	274.71	1.81	-34.08
O=C(NCC1=NN=N[N-]1)C1CC2=CC(Br)=CN=C2C1	REAL300019682473	1	29	-1.0	-35.91	274.77	1.82	-34.09
O=C(NCC1=NN=N[N-]1)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1	REAL300019682474	0	36	-1.0	-39.40	337.48	2.62	-36.78
O=C(NCC1=N[N-]N=N1)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1	REAL300019682474	1	36	-1.0	-39.42	337.43	2.60	-36.82
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=N[N-]N=N2)C1(C)C	REAL300019682475	0	49	-1.0	-36.73	382.35	3.06	-33.67
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=NN=N[N-]2)C1(C)C	REAL300019682475	1	49	-1.0	-36.73	382.40	3.08	-33.65
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)NCC1=N[N-]N=N1	REAL300019682476	0	49	-1.0	-37.67	366.51	3.61	-34.06
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)NCC1=NN=N[N-]1	REAL300019682476	1	49	-1.0	-37.64	366.57	3.62	-34.02
CC(C)(C)OC(=O)N1CCC2(CCC2)CC1C(=O)NCC1=N[N-]N=N1	REAL300019682477	0	50	-1.0	-44.03	379.61	4.37	-39.66
CC(C)(C)OC(=O)N1CCC2(CCC2)CC1C(=O)NCC1=NN=N[N-]1	REAL300019682477	1	50	-1.0	-44.02	379.67	4.38	-39.64
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1CCCC1	REAL300019682478	0	46	-1.0	-35.21	356.52	1.62	-33.59
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1CCCC1	REAL300019682478	1	46	-1.0	-35.22	356.58	1.64	-33.58
O=C(NCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300019682479	0	39	-1.0	-35.87	338.56	6.07	-29.80
O=C(NCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300019682479	1	39	-1.0	-35.86	338.62	6.09	-29.77
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NCC1=N[N-]N=N1	REAL300019682480	0	39	-1.0	-36.25	335.13	4.99	-31.26
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NCC1=NN=N[N-]1	REAL300019682480	1	39	-1.0	-36.23	335.19	5.01	-31.22
O=C(NCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300019682481	0	39	-1.0	-35.39	348.89	6.52	-28.87
O=C(NCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300019682481	1	39	-1.0	-35.41	348.94	6.54	-28.87
O=C(CC1=CC(Br)=CS1)NCC1=N[N-]N=N1	REAL300019682482	0	23	-1.0	-35.87	247.88	1.66	-34.21
O=C(CC1=CC(Br)=CS1)NCC1=NN=N[N-]1	REAL300019682482	1	23	-1.0	-35.89	247.94	1.67	-34.22
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)NCC1=N[N-]N=N1	REAL300019682483	0	34	-1.0	-39.18	314.34	5.22	-33.96
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)NCC1=NN=N[N-]1	REAL300019682483	1	34	-1.0	-39.16	314.40	5.24	-33.92
O=C(CC1=C(Br)SC(Br)=C1)NCC1=N[N-]N=N1	REAL300019682484	0	23	-1.0	-35.21	267.79	2.27	-32.94
O=C(CC1=C(Br)SC(Br)=C1)NCC1=NN=N[N-]1	REAL300019682484	1	23	-1.0	-35.18	267.85	2.28	-32.90
COCCN1C=CC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C21	REAL300019682485	0	37	-1.0	-41.94	318.62	2.93	-39.01
COCCN1C=CC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C21	REAL300019682485	1	37	-1.0	-41.94	318.68	2.94	-39.00
O=C(NCC1=N[N-]N=N1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300019682486	0	39	-1.0	-35.72	338.49	6.08	-29.64
O=C(NCC1=NN=N[N-]1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300019682486	1	39	-1.0	-35.72	338.57	6.10	-29.62
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300019682487	0	29	-1.0	-34.94	282.87	2.53	-32.41
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300019682487	1	29	-1.0	-34.99	282.81	2.52	-32.47
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300019682488	0	29	-1.0	-34.65	293.19	2.99	-31.66
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300019682488	1	29	-1.0	-34.68	293.13	2.97	-31.71
O=C(NCC1=NN=N[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300019682489	0	29	-1.0	-35.06	293.20	2.99	-32.07
O=C(NCC1=N[N-]N=N1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300019682489	1	29	-1.0	-35.02	293.14	2.97	-32.05
CC1=CC=C(C(=O)C2=CC=C(CC(=O)NCC3=N[N-]N=N3)N2C)C=C1	REAL300019682490	0	42	-1.0	-42.18	356.69	5.09	-37.09
CC1=CC=C(C(=O)C2=CC=C(CC(=O)NCC3=NN=N[N-]3)N2C)C=C1	REAL300019682490	1	42	-1.0	-42.18	356.75	5.10	-37.08
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682491	0	42	-1.0	-42.09	356.77	-0.03	-42.12
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682491	1	42	-1.0	-42.05	356.82	-0.02	-42.07
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NCC2=N[N-]N=N2)C1	REAL300019682492	0	46	-1.0	-37.78	363.00	1.30	-36.48
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NCC2=NN=N[N-]2)C1	REAL300019682492	1	46	-1.0	-37.79	363.05	1.31	-36.48
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682493	0	49	-1.0	-36.87	389.43	0.20	-36.67
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682493	1	49	-1.0	-36.89	389.49	0.21	-36.68
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)NCC1=N[N-]N=N1	REAL300019682494	0	50	-1.0	-34.99	380.19	0.07	-34.92
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)NCC1=NN=N[N-]1	REAL300019682494	1	50	-1.0	-35.00	380.25	0.08	-34.92
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NCC2=N[N-]N=N2)C1	REAL300019682495	0	46	-1.0	-45.30	358.91	2.85	-42.45
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NCC2=NN=N[N-]2)C1	REAL300019682495	1	46	-1.0	-45.28	358.97	2.86	-42.42
CC(C)(C)OC(=O)N1CCC2(CC(CC(=O)NCC3=N[N-]N=N3)CO2)CC1	REAL300019682496	0	54	-1.0	-40.38	414.40	3.16	-37.22
CC(C)(C)OC(=O)N1CCC2(CC(CC(=O)NCC3=NN=N[N-]3)CO2)CC1	REAL300019682496	1	54	-1.0	-40.40	414.46	3.17	-37.23
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCC3=N[N-]N=N3)S2)C1	REAL300019682497	0	47	-1.0	-41.06	385.95	4.40	-36.66
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCC3=NN=N[N-]3)S2)C1	REAL300019682497	1	47	-1.0	-41.09	386.01	4.42	-36.67
CN1N=C(C(=O)NCC2=N[N-]N=N2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300019682498	0	47	-1.0	-48.98	380.40	2.05	-46.93
CN1N=C(C(=O)NCC2=NN=N[N-]2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300019682498	1	47	-1.0	-48.97	380.46	2.06	-46.91
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682499	0	48	-1.0	-34.57	358.54	2.81	-31.76
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682499	1	48	-1.0	-34.58	358.59	2.83	-31.75
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682500	0	49	-1.0	-36.13	389.57	0.26	-35.87
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682500	1	49	-1.0	-36.10	389.63	0.28	-35.82
O=C(NCC1=NN=N[N-]1)C1=C(Br)C=CN=C1F	REAL300019682501	0	22	-1.0	-39.87	236.74	-0.20	-40.07
O=C(NCC1=N[N-]N=N1)C1=C(Br)C=CN=C1F	REAL300019682501	1	22	-1.0	-39.88	236.68	-0.21	-40.09
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=N[N-]N=N2)CC(F)(F)C1	REAL300019682502	0	43	-1.0	-39.11	352.12	2.26	-36.85
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NN=N[N-]2)CC(F)(F)C1	REAL300019682502	1	43	-1.0	-39.12	352.17	2.28	-36.84
CC(C)(C)OC(=O)N1CCC[C@H]1CN1C=C(C(=O)NCC2=NN=N[N-]2)N=N1	REAL300019682503	0	49	-1.0	-42.82	401.28	1.47	-41.35
CC(C)(C)OC(=O)N1CCC[C@H]1CN1C=C(C(=O)NCC2=N[N-]N=N2)N=N1	REAL300019682503	1	49	-1.0	-42.84	401.22	1.46	-41.38
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2C1	REAL300019682504	0	47	-1.0	-45.12	371.71	4.39	-40.73
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2C1	REAL300019682504	1	47	-1.0	-45.15	371.76	4.40	-40.75
CC(C)(C)OC(=O)NC(CC(=O)NCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300019682505	0	46	-1.0	-41.43	391.97	3.73	-37.70
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300019682505	1	46	-1.0	-41.41	392.02	3.75	-37.66
CC(C)(C)OC(=O)NCC1=NC(C(=O)NCC2=N[N-]N=N2)=CO1	REAL300019682506	0	39	-1.0	-40.52	339.06	-3.64	-44.16
CC(C)(C)OC(=O)NCC1=NC(C(=O)NCC2=NN=N[N-]2)=CO1	REAL300019682506	1	39	-1.0	-40.53	339.12	-3.62	-44.15
CN(C)C1=CC=C(Br)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682507	0	31	-1.0	-38.18	280.29	2.30	-35.88
CN(C)C1=CC=C(Br)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682507	1	31	-1.0	-38.16	280.35	2.31	-35.85
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300019682508	0	33	-1.0	-46.68	292.76	-0.22	-46.90
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300019682508	1	33	-1.0	-46.70	292.82	-0.20	-46.90
CC(C)(C)OC(=O)NC(C)(C(=O)NCC1=N[N-]N=N1)C(F)(F)F	REAL300019682509	0	39	-1.0	-40.91	328.46	-0.01	-40.92
CC(C)(C)OC(=O)NC(C)(C(=O)NCC1=NN=N[N-]1)C(F)(F)F	REAL300019682509	1	39	-1.0	-40.91	328.52	0.00	-40.91
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)CC2(CCC2)C1	REAL300019682510	0	50	-1.0	-39.73	396.97	2.31	-37.42
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)CC2(CCC2)C1	REAL300019682510	1	50	-1.0	-39.73	397.03	2.32	-37.41
O=C(NCC1=N[N-]N=N1)C1=C(C2CC2)ON=C1Br	REAL300019682511	0	26	-1.0	-34.77	266.37	1.53	-33.24
O=C(NCC1=NN=N[N-]1)C1=C(C2CC2)ON=C1Br	REAL300019682511	1	26	-1.0	-34.76	266.43	1.55	-33.21
O=C(NCC1=N[N-]N=N1)C1=CC2=C(N1)C(Br)=CO2	REAL300019682512	0	24	-1.0	-36.26	247.46	-0.13	-36.39
O=C(NCC1=NN=N[N-]1)C1=CC2=C(N1)C(Br)=CO2	REAL300019682512	1	24	-1.0	-36.23	247.52	-0.11	-36.34
O=C(CC1=CC2=C(C=C1Br)OCO2)NCC1=N[N-]N=N1	REAL300019682513	0	29	-1.0	-38.55	279.89	1.07	-37.48
O=C(CC1=CC2=C(C=C1Br)OCO2)NCC1=NN=N[N-]1	REAL300019682513	1	29	-1.0	-38.53	279.95	1.08	-37.45
O=C(NCC1=NN=N[N-]1)C1=C(Br)SC2=C1SN=N2	REAL300019682514	0	21	-1.0	-34.41	252.25	-0.32	-34.73
O=C(NCC1=N[N-]N=N1)C1=C(Br)SC2=C1SN=N2	REAL300019682514	1	21	-1.0	-34.44	252.20	-0.33	-34.77
O=C(NCC1=N[N-]N=N1)C1=NC2=CC(Br)=CNC2=N1	REAL300019682515	0	25	-1.0	-55.18	257.51	-0.13	-55.31
O=C(NCC1=NN=N[N-]1)C1=NC2=CC(Br)=CNC2=N1	REAL300019682515	1	25	-1.0	-55.21	257.57	-0.11	-55.32
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682516	0	47	-1.0	-44.68	386.78	2.26	-42.42
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682516	1	47	-1.0	-44.66	386.83	2.27	-42.39
CC(C)(C)OC(=O)NC1CCCN(CC(=O)NCC2=N[N-]N=N2)C1=O	REAL300019682517	0	47	-1.0	-49.77	380.06	0.13	-49.64
CC(C)(C)OC(=O)NC1CCCN(CC(=O)NCC2=NN=N[N-]2)C1=O	REAL300019682517	1	47	-1.0	-49.79	380.12	0.15	-49.64
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=N[N-]N=N2)C2(CCCC2)C1	REAL300019682518	0	50	-1.0	-41.90	384.45	3.57	-38.33
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NN=N[N-]2)C2(CCCC2)C1	REAL300019682518	1	50	-1.0	-41.91	384.51	3.58	-38.33
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682519	0	46	-1.0	-36.04	369.30	-0.48	-36.52
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682519	1	46	-1.0	-36.07	369.36	-0.47	-36.54
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300019682520	0	47	-1.0	-39.41	371.35	4.54	-34.87
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300019682520	1	47	-1.0	-39.43	371.41	4.55	-34.88
O=C(NCC1=N[N-]N=N1)C1=CC=C(Br)C(C(F)(F)F)=C1F	REAL300019682521	0	26	-1.0	-36.21	268.96	2.76	-33.45
O=C(NCC1=NN=N[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1F	REAL300019682521	1	26	-1.0	-36.19	269.01	2.78	-33.41
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC2C(=O)NCC1=N[N-]N=N1	REAL300019682522	0	48	-1.0	-47.42	382.43	-0.45	-47.87
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC2C(=O)NCC1=NN=N[N-]1	REAL300019682522	1	48	-1.0	-47.39	382.49	-0.44	-47.83
C#CCC1(C(=O)NCC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019682523	0	45	-1.0	-43.24	363.73	3.33	-39.91
C#CCC1(C(=O)NCC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019682523	1	45	-1.0	-43.23	363.78	3.35	-39.88
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)NCC2=N[N-]N=N2)C1	REAL300019682524	0	45	-1.0	-41.53	360.41	3.20	-38.33
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)NCC2=NN=N[N-]2)C1	REAL300019682524	1	45	-1.0	-41.53	360.46	3.21	-38.32
CC(C)(C)OC(=O)NCC1=CC=CC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C21	REAL300019682525	0	49	-1.0	-43.40	402.18	3.78	-39.62
CC(C)(C)OC(=O)NCC1=CC=CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C21	REAL300019682525	1	49	-1.0	-43.37	402.24	3.80	-39.57
CC(C)(C)OC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682526	0	45	-1.0	-41.16	385.01	1.94	-39.22
CC(C)(C)OC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682526	1	45	-1.0	-41.17	384.95	1.92	-39.25
CCOC1=CC(Br)=CC(C(=O)NCC2=N[N-]N=N2)=C1N	REAL300019682527	0	32	-1.0	-35.19	293.67	0.40	-34.79
CCOC1=CC(Br)=CC(C(=O)NCC2=NN=N[N-]2)=C1N	REAL300019682527	1	32	-1.0	-35.20	293.72	0.42	-34.78
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=N[N-]N=N2)CS(=O)(=O)C1	REAL300019682528	0	43	-1.0	-43.27	360.33	-2.83	-46.10
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NN=N[N-]2)CS(=O)(=O)C1	REAL300019682528	1	43	-1.0	-43.22	360.38	-2.81	-46.03
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682529	0	47	-1.0	-36.08	372.77	2.90	-33.18
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682529	1	47	-1.0	-36.09	372.82	2.91	-33.18
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682530	0	49	-1.0	-39.99	401.19	2.92	-37.07
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682530	1	49	-1.0	-39.98	401.24	2.94	-37.04
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300019682531	0	30	-1.0	-38.66	282.37	3.77	-34.89
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300019682531	1	30	-1.0	-38.65	282.43	3.78	-34.87
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682532	0	43	-1.0	-37.91	354.29	0.55	-37.36
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682532	1	43	-1.0	-37.92	354.35	0.57	-37.35
CC(C)(C)OC(=O)N1CC(CN2C=C(C(=O)NCC3=NN=N[N-]3)N=N2)C1	REAL300019682533	0	46	-1.0	-49.40	389.35	0.80	-48.60
CC(C)(C)OC(=O)N1CC(CN2C=C(C(=O)NCC3=N[N-]N=N3)N=N2)C1	REAL300019682533	1	46	-1.0	-49.41	389.30	0.78	-48.63
C=CCN(CCC(=O)NCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019682534	0	43	-1.0	-39.33	353.81	2.75	-36.58
C=CCN(CCC(=O)NCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019682534	1	43	-1.0	-39.35	353.87	2.77	-36.58
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682535	0	46	-1.0	-41.71	367.28	2.83	-38.88
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682535	1	46	-1.0	-41.74	367.33	2.85	-38.89
CC(C)(C)OC(=O)N1C[C@@H](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682536	0	53	-1.0	-44.42	426.37	5.89	-38.53
CC(C)(C)OC(=O)N1C[C@@H](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682536	1	53	-1.0	-44.44	426.42	5.91	-38.53
CC1=CC=C(C2(C(=O)NCC3=N[N-]N=N3)CCC(=O)CC2)C=C1	REAL300019682537	0	41	-1.0	-36.64	327.20	4.27	-32.37
CC1=CC=C(C2(C(=O)NCC3=NN=N[N-]3)CCC(=O)CC2)C=C1	REAL300019682537	1	41	-1.0	-36.64	327.25	4.29	-32.35
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F	REAL300019682538	0	28	-1.0	-36.35	278.81	1.71	-34.64
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F	REAL300019682538	1	28	-1.0	-36.37	278.75	1.70	-34.67
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NCC3=NN=N[N-]3)C=C21	REAL300019682539	0	31	-1.0	-37.30	287.29	0.45	-36.85
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NCC3=N[N-]N=N3)C=C21	REAL300019682539	1	31	-1.0	-37.26	287.23	0.43	-36.83
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NCC2=N[N-]N=N2)CO1	REAL300019682540	0	44	-1.0	-43.04	357.41	-1.16	-44.20
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NCC2=NN=N[N-]2)CO1	REAL300019682540	1	44	-1.0	-43.04	357.47	-1.15	-44.19
NC1=CC(CC(=O)NCC2=N[N-]N=N2)=C(Br)C=C1[N+](=O)[O-]	REAL300019682541	0	30	-1.0	-38.82	294.46	1.13	-37.69
NC1=CC(CC(=O)NCC2=NN=N[N-]2)=C(Br)C=C1[N+](=O)[O-]	REAL300019682541	1	30	-1.0	-38.85	294.52	1.15	-37.70
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682542	0	43	-1.0	-37.48	349.06	-1.26	-38.74
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682542	1	43	-1.0	-37.50	349.01	-1.27	-38.77
CC(C)(C)OC(=O)NCC(C(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300019682543	0	46	-1.0	-38.29	393.45	2.67	-35.62
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300019682543	1	46	-1.0	-38.34	393.51	2.69	-35.65
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=N[N-]N=N2)CC1	REAL300019682544	0	46	-1.0	-39.59	362.90	2.90	-36.69
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=NN=N[N-]2)CC1	REAL300019682544	1	46	-1.0	-39.57	362.96	2.92	-36.65
COC1(C(=O)NCC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019682545	0	41	-1.0	-37.02	337.07	-0.31	-37.33
COC1(C(=O)NCC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019682545	1	41	-1.0	-37.04	337.13	-0.29	-37.33
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1CC2(CCC2)C1	REAL300019682546	0	50	-1.0	-36.50	392.26	3.60	-32.90
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300019682546	1	50	-1.0	-36.47	392.32	3.61	-32.86
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)C1CC(C)(C)C1	REAL300019682547	0	49	-1.0	-34.78	378.77	2.58	-32.20
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)C1CC(C)(C)C1	REAL300019682547	1	49	-1.0	-34.79	378.82	2.60	-32.19
CC(C)(C)OC(=O)NCC1=CC=CC(OCC(=O)NCC2=N[N-]N=N2)=C1	REAL300019682548	0	47	-1.0	-41.85	393.01	2.27	-39.58
CC(C)(C)OC(=O)NCC1=CC=CC(OCC(=O)NCC2=NN=N[N-]2)=C1	REAL300019682548	1	47	-1.0	-41.87	393.06	2.28	-39.59
CC(C)(C)OC(=O)NC1CCCC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL300019682549	0	50	-1.0	-41.90	392.70	3.39	-38.51
CC(C)(C)OC(=O)NC1CCCC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL300019682549	1	50	-1.0	-41.92	392.76	3.40	-38.52
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NCC1=N[N-]N=N1	REAL300019682550	0	50	-1.0	-38.98	383.25	2.07	-36.91
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NCC1=NN=N[N-]1	REAL300019682550	1	50	-1.0	-38.99	383.30	2.09	-36.90
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)NCC2=N[N-]N=N2)C1	REAL300019682551	0	47	-1.0	-42.33	368.97	-0.46	-42.79
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)NCC2=NN=N[N-]2)C1	REAL300019682551	1	47	-1.0	-42.34	369.03	-0.45	-42.79
CC(C)(C)OC(=O)NC1CCCC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2C1	REAL300019682552	0	53	-1.0	-46.57	414.68	4.03	-42.54
CC(C)(C)OC(=O)NC1CCCC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2C1	REAL300019682552	1	53	-1.0	-46.59	414.74	4.05	-42.54
CC(C)(C)OC(=O)NCC1=CC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2C=C1	REAL300019682553	0	49	-1.0	-40.40	405.48	3.93	-36.47
CC(C)(C)OC(=O)NCC1=CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2C=C1	REAL300019682553	1	49	-1.0	-40.43	405.53	3.94	-36.49
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=N[N-]N=N2)C2C1C2(F)F	REAL300019682554	0	44	-1.0	-37.00	358.88	2.85	-34.15
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NN=N[N-]2)C2C1C2(F)F	REAL300019682554	1	44	-1.0	-36.98	358.94	2.87	-34.11
CC(C)(C)OC(=O)N1CC2=C(C(=O)NCC3=N[N-]N=N3)NN=C2C1(C)C	REAL300019682555	0	47	-1.0	-35.66	380.48	1.23	-34.43
CC(C)(C)OC(=O)N1CC2=C(C(=O)NCC3=NN=N[N-]3)NN=C2C1(C)C	REAL300019682555	1	47	-1.0	-35.65	380.54	1.24	-34.41
CC(C)(C)OC(=O)NC1CCC(C(=O)NCC2=N[N-]N=N2)CCC1(F)F	REAL300019682556	0	49	-1.0	-39.27	378.78	1.98	-37.29
CC(C)(C)OC(=O)NC1CCC(C(=O)NCC2=NN=N[N-]2)CCC1(F)F	REAL300019682556	1	49	-1.0	-39.23	378.84	1.99	-37.24
CC(C)(C)OC(=O)N1CCN2C=CC=C2C12CC(C(=O)NCC1=N[N-]N=N1)C2	REAL300019682557	0	52	-1.0	-43.14	387.25	5.45	-37.69
CC(C)(C)OC(=O)N1CCN2C=CC=C2C12CC(C(=O)NCC1=NN=N[N-]1)C2	REAL300019682557	1	52	-1.0	-43.09	387.30	5.47	-37.62
CC(C)(C)OC(=O)N1CCN2C(C(=O)NCC3=N[N-]N=N3)=CC=C2C12CCC2	REAL300019682558	0	52	-1.0	-37.44	397.65	4.64	-32.80
CC(C)(C)OC(=O)N1CCN2C(C(=O)NCC3=NN=N[N-]3)=CC=C2C12CCC2	REAL300019682558	1	52	-1.0	-37.44	397.71	4.66	-32.78
CC(C)(C)OC(=O)NC1CCCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL300019682559	0	49	-1.0	-41.15	373.97	1.87	-39.28
CC(C)(C)OC(=O)NC1CCCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL300019682559	1	49	-1.0	-41.12	374.03	1.89	-39.23
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL300019682560	0	39	-1.0	-40.64	343.36	0.29	-40.35
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL300019682560	1	39	-1.0	-40.62	343.41	0.30	-40.32
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCC2=N[N-]N=N2)CC1	REAL300019682561	0	46	-1.0	-36.26	357.63	2.62	-33.64
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCC2=NN=N[N-]2)CC1	REAL300019682561	1	46	-1.0	-36.25	357.69	2.64	-33.61
CC(C)(C)OC(=O)NC12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)CC2	REAL300019682562	0	50	-1.0	-39.19	374.79	1.81	-37.38
CC(C)(C)OC(=O)NC12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)CC2	REAL300019682562	1	50	-1.0	-39.22	374.84	1.83	-37.39
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NCC2=N[N-]N=N2)=N1	REAL300019682563	0	40	-1.0	-39.90	335.93	-0.60	-40.50
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL300019682563	1	40	-1.0	-39.91	335.99	-0.59	-40.50
O=C(NCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300019682564	0	26	-1.0	-39.49	258.36	2.47	-37.02
O=C(NCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300019682564	1	26	-1.0	-39.49	258.41	2.48	-37.01
COC1=NN(C)C(Br)=C1C(=O)NCC1=NN=N[N-]1	REAL300019682565	0	27	-1.0	-39.87	271.70	-2.66	-42.53
COC1=NN(C)C(Br)=C1C(=O)NCC1=N[N-]N=N1	REAL300019682565	1	27	-1.0	-39.89	271.64	-2.67	-42.56
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2=N[N-]N=N2)C[C@H](C(C)(C)C)C1	REAL300019682566	0	55	-1.0	-36.14	409.27	4.10	-32.04
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2=NN=N[N-]2)C[C@H](C(C)(C)C)C1	REAL300019682566	1	55	-1.0	-36.17	409.33	4.11	-32.06
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=N[N-]N=N3)(C1)C1(COC1)O2	REAL300019682567	0	50	-1.0	-38.25	399.87	-1.61	-39.86
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NN=N[N-]3)(C1)C1(COC1)O2	REAL300019682567	1	50	-1.0	-38.27	399.92	-1.59	-39.86
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=N[N-]N=N2)C1	REAL300019682568	0	47	-1.0	-40.06	373.86	0.52	-39.54
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=NN=N[N-]2)C1	REAL300019682568	1	47	-1.0	-40.10	373.92	0.54	-39.56
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=N[N-]N=N2)C2CCCCC21	REAL300019682569	0	53	-1.0	-39.41	403.64	4.15	-35.26
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NN=N[N-]2)C2CCCCC21	REAL300019682569	1	53	-1.0	-39.40	403.70	4.16	-35.24
CS(=O)(=O)C1(C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL300019682570	0	36	-1.0	-49.42	325.31	0.79	-48.63
CS(=O)(=O)C1(C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL300019682570	1	36	-1.0	-49.44	325.36	0.80	-48.64
O=C(NCC1=N[N-]N=N1)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300019682571	0	40	-1.0	-58.44	350.17	4.24	-54.20
O=C(NCC1=NN=N[N-]1)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300019682571	1	40	-1.0	-58.42	350.23	4.26	-54.16
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NCC1=N[N-]N=N1	REAL300019682572	0	47	-1.0	-45.24	368.63	3.37	-41.87
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NCC1=NN=N[N-]1	REAL300019682572	1	47	-1.0	-45.23	368.69	3.39	-41.84
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682573	0	46	-1.0	-43.01	362.93	1.24	-41.77
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682573	1	46	-1.0	-42.97	362.99	1.25	-41.72
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)NCC1=N[N-]N=N1)C2	REAL300019682574	0	48	-1.0	-37.28	372.96	4.45	-32.83
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)NCC1=NN=N[N-]1)C2	REAL300019682574	1	48	-1.0	-37.31	373.02	4.46	-32.85
O=C(NCC1=N[N-]N=N1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300019682575	0	26	-1.0	-35.73	278.79	3.69	-32.04
O=C(NCC1=NN=N[N-]1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300019682575	1	26	-1.0	-35.74	278.85	3.70	-32.04
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NCC1=N[N-]N=N1)C2	REAL300019682576	0	35	-1.0	-46.54	285.65	-1.95	-48.49
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NCC1=NN=N[N-]1)C2	REAL300019682576	1	35	-1.0	-46.58	285.71	-1.93	-48.51
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NCC1=N[N-]N=N1)C3=O	REAL300019682577	0	39	-1.0	-54.57	325.21	4.35	-50.22
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NCC1=NN=N[N-]1)C3=O	REAL300019682577	1	39	-1.0	-54.56	325.27	4.36	-50.20
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NCC1=N[N-]N=N1)=C2	REAL300019682578	0	37	-1.0	-47.92	314.38	3.06	-44.86
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NCC1=NN=N[N-]1)=C2	REAL300019682578	1	37	-1.0	-47.91	314.44	3.08	-44.83
CC(C)(C)OC(=O)N1CC2(CCOCC2)CCC1C(=O)NCC1=N[N-]N=N1	REAL300019682579	0	54	-1.0	-44.67	397.98	3.28	-41.39
CC(C)(C)OC(=O)N1CC2(CCOCC2)CCC1C(=O)NCC1=NN=N[N-]1	REAL300019682579	1	54	-1.0	-44.64	398.04	3.30	-41.34
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)CC12CCOCC2	REAL300019682580	0	51	-1.0	-40.01	401.77	0.50	-39.51
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)CC12CCOCC2	REAL300019682580	1	51	-1.0	-39.99	401.83	0.52	-39.47
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)CO2	REAL300019682581	0	51	-1.0	-38.27	392.79	0.72	-37.55
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)CO2	REAL300019682581	1	51	-1.0	-38.24	392.85	0.73	-37.51
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)NCC1=N[N-]N=N1	REAL300019682582	0	47	-1.0	-44.84	368.66	5.01	-39.83
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)NCC1=NN=N[N-]1	REAL300019682582	1	47	-1.0	-44.83	368.71	5.03	-39.80
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682583	0	46	-1.0	-43.57	366.05	2.66	-40.91
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682583	1	46	-1.0	-43.60	366.10	2.67	-40.93
O=C(NCC1=N[N-]N=N1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019682584	0	35	-1.0	-42.87	304.89	0.71	-42.16
O=C(NCC1=NN=N[N-]1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019682584	1	35	-1.0	-42.83	304.94	0.73	-42.10
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NCC1=N[N-]N=N1	REAL300019682585	0	33	-1.0	-44.92	309.39	0.88	-44.04
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NCC1=NN=N[N-]1	REAL300019682585	1	33	-1.0	-44.91	309.45	0.89	-44.02
COC1=CC(Br)=CN=C1C(=O)NCC1=NN=N[N-]1	REAL300019682586	0	26	-1.0	-39.97	257.66	0.71	-39.26
COC1=CC(Br)=CN=C1C(=O)NCC1=N[N-]N=N1	REAL300019682586	1	26	-1.0	-39.98	257.60	0.70	-39.28
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019682587	0	32	-1.0	-46.47	294.77	-1.11	-47.58
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019682587	1	32	-1.0	-46.43	294.83	-1.09	-47.52
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682588	0	38	-1.0	-39.49	340.37	0.66	-38.83
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682588	1	38	-1.0	-39.51	340.43	0.68	-38.83
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682589	0	38	-1.0	-42.01	340.40	0.65	-41.36
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682589	1	38	-1.0	-42.03	340.46	0.67	-41.36
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019682590	0	28	-2.0	-74.99	275.59	-0.12	-75.11
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019682590	1	28	-2.0	-75.00	275.64	-0.10	-75.10
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)NCC1=N[N-]N=N1	REAL300019682591	0	43	-1.0	-42.48	346.99	2.80	-39.68
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)NCC1=NN=N[N-]1	REAL300019682591	1	43	-1.0	-42.47	347.04	2.82	-39.65
O=C(NCC1=NN=N[N-]1)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300019682592	0	33	-1.0	-39.79	315.32	2.99	-36.80
O=C(NCC1=N[N-]N=N1)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300019682592	1	33	-1.0	-39.79	315.26	2.98	-36.81
CC(C)CC(CCC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682593	0	44	-1.0	-37.74	349.88	6.53	-31.21
CC(C)CC(CCC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682593	1	44	-1.0	-37.72	349.94	6.54	-31.18
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682594	0	34	-1.0	-35.01	294.02	3.05	-31.96
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682594	1	34	-1.0	-35.00	294.07	3.06	-31.94
CC1=NN=NN1C1=CC(F)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682595	0	31	-1.0	-36.62	286.72	1.38	-35.24
CC1=NN=NN1C1=CC(F)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682595	1	31	-1.0	-36.66	286.78	1.39	-35.27
O=C(NCC1=NN=N[N-]1)C1=CC2=CN=CC(Br)=C2S1	REAL300019682596	0	25	-1.0	-36.40	266.43	1.50	-34.90
O=C(NCC1=N[N-]N=N1)C1=CC2=CN=CC(Br)=C2S1	REAL300019682596	1	25	-1.0	-36.41	266.37	1.48	-34.93
O=C(CC1=CC=C(N2CCOCC2)C=C1)NCC1=N[N-]N=N1	REAL300019682597	0	39	-1.0	-38.62	320.19	0.76	-37.86
O=C(CC1=CC=C(N2CCOCC2)C=C1)NCC1=NN=N[N-]1	REAL300019682597	1	39	-1.0	-38.64	320.25	0.77	-37.87
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300019682598	0	36	-1.0	-40.39	308.60	2.43	-37.96
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300019682598	1	36	-1.0	-40.36	308.65	2.45	-37.91
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300019682599	0	30	-1.0	-38.14	284.89	3.75	-34.39
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300019682599	1	30	-1.0	-38.11	284.95	3.77	-34.34
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)CC2CCC1C2	REAL300019682600	0	50	-1.0	-39.49	380.01	2.15	-37.34
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)CC2CCC1C2	REAL300019682600	1	50	-1.0	-39.51	380.06	2.17	-37.34
O=C(NCC1=N[N-]N=N1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300019682601	0	33	-1.0	-37.59	290.11	0.77	-36.82
O=C(NCC1=NN=N[N-]1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300019682601	1	33	-1.0	-37.63	290.17	0.78	-36.85
CC1=CN=C(N2CCOCC2)N=C1C(=O)NCC1=NN=N[N-]1	REAL300019682602	0	37	-1.0	-38.98	308.58	0.38	-38.60
CC1=CN=C(N2CCOCC2)N=C1C(=O)NCC1=N[N-]N=N1	REAL300019682602	1	37	-1.0	-38.95	308.53	0.36	-38.59
CS(=O)(=O)C1=CC(Br)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682603	0	29	-1.0	-42.47	293.54	-0.61	-43.08
CS(=O)(=O)C1=CC(Br)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682603	1	29	-1.0	-42.47	293.59	-0.60	-43.07
O=C(NCC1=NN=N[N-]1)C1=NSC2=CC(Br)=CC=C21	REAL300019682604	0	25	-1.0	-36.42	263.62	1.88	-34.54
O=C(NCC1=N[N-]N=N1)C1=NSC2=CC(Br)=CC=C21	REAL300019682604	1	25	-1.0	-36.42	263.56	1.86	-34.56
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=C2OC=CC2=C1	REAL300019682605	0	26	-1.0	-37.86	260.10	2.20	-35.66
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=C2OC=CC2=C1	REAL300019682605	1	26	-1.0	-37.82	260.16	2.22	-35.60
CC(C)(C)OC(=O)N1CC2CCCCCC2(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682606	0	53	-1.0	-40.14	371.83	4.19	-35.95
CC(C)(C)OC(=O)N1CC2CCCCCC2(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682606	1	53	-1.0	-40.15	371.88	4.20	-35.95
CC(C)(C)OC(=O)N1CCC(C2CCCC2C(=O)NCC2=N[N-]N=N2)CC1	REAL300019682607	0	56	-1.0	-41.03	419.04	5.10	-35.93
CC(C)(C)OC(=O)N1CCC(C2CCCC2C(=O)NCC2=NN=N[N-]2)CC1	REAL300019682607	1	56	-1.0	-41.00	419.10	5.11	-35.89
CC(C)(C)OC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)NCC1=N[N-]N=N1	REAL300019682608	0	47	-1.0	-37.93	384.44	5.05	-32.88
CC(C)(C)OC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)NCC1=NN=N[N-]1	REAL300019682608	1	47	-1.0	-37.95	384.49	5.07	-32.88
COCCN1C=CC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL300019682609	0	37	-1.0	-40.37	320.81	2.95	-37.42
COCCN1C=CC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL300019682609	1	37	-1.0	-40.40	320.86	2.97	-37.43
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NCC2=N[N-]N=N2)=C1Cl	REAL300019682610	0	30	-1.0	-38.53	317.26	4.20	-34.33
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NCC2=NN=N[N-]2)=C1Cl	REAL300019682610	1	30	-1.0	-38.52	317.31	4.22	-34.30
O=C(NCC1=NN=N[N-]1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300019682611	0	28	-1.0	-38.09	271.32	2.26	-35.83
O=C(NCC1=N[N-]N=N1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300019682611	1	28	-1.0	-38.13	271.26	2.25	-35.88
CC12CCCN1S(=O)(=O)C(C(=O)NCC1=N[N-]N=N1)C2	REAL300019682612	0	35	-1.0	-45.41	296.37	-2.49	-47.90
CC12CCCN1S(=O)(=O)C(C(=O)NCC1=NN=N[N-]1)C2	REAL300019682612	1	35	-1.0	-45.42	296.43	-2.48	-47.90
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682613	0	34	-1.0	-39.63	308.03	3.19	-36.44
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682613	1	34	-1.0	-39.62	308.09	3.21	-36.41
CN1N=CC(Cl)=C1C1=NOC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682614	0	29	-1.0	-36.78	285.77	0.25	-36.53
CN1N=CC(Cl)=C1C1=NOC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682614	1	29	-1.0	-36.78	285.83	0.26	-36.52
CCCCOC1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019682615	0	40	-1.0	-37.43	340.37	4.25	-33.18
CCCCOC1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019682615	1	40	-1.0	-37.42	340.42	4.27	-33.15
COC1=CC=C(Br)C(C(=O)NCC2=N[N-]N=N2)=C1C	REAL300019682616	0	30	-1.0	-39.02	282.97	1.54	-37.48
COC1=CC=C(Br)C(C(=O)NCC2=NN=N[N-]2)=C1C	REAL300019682616	1	30	-1.0	-39.05	283.03	1.55	-37.50
O=C(NCC1=N[N-]N=N1)C1=C(Cl)C=C(Cl)C=C1Br	REAL300019682617	0	23	-1.0	-35.08	267.83	2.55	-32.53
O=C(NCC1=NN=N[N-]1)C1=C(Cl)C=C(Cl)C=C1Br	REAL300019682617	1	23	-1.0	-35.08	267.89	2.56	-32.52
CCCCC(C(=O)NCC1=N[N-]N=N1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019682618	0	48	-1.0	-37.84	376.36	7.34	-30.50
CCCCC(C(=O)NCC1=NN=N[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019682618	1	48	-1.0	-37.84	376.41	7.36	-30.48
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NCC1=N[N-]N=N1	REAL300019682619	0	33	-1.0	-52.42	303.97	0.54	-51.88
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NCC1=NN=N[N-]1	REAL300019682619	1	33	-1.0	-52.42	304.03	0.55	-51.87
O=C(NCC1=N[N-]N=N1)C1=CC(F)=C(Br)C(F)=C1	REAL300019682620	0	23	-1.0	-32.16	244.24	1.95	-30.21
O=C(NCC1=NN=N[N-]1)C1=CC(F)=C(Br)C(F)=C1	REAL300019682620	1	23	-1.0	-32.15	244.29	1.97	-30.18
CC(C)(C)OC(=O)NC(CCOCC(F)(F)F)C(=O)NCC1=N[N-]N=N1	REAL300019682621	0	46	-1.0	-46.26	389.70	0.80	-45.46
CC(C)(C)OC(=O)NC(CCOCC(F)(F)F)C(=O)NCC1=NN=N[N-]1	REAL300019682621	1	46	-1.0	-46.26	389.76	0.82	-45.44
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682622	0	50	-1.0	-38.33	371.41	3.40	-34.93
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682622	1	50	-1.0	-38.31	371.46	3.42	-34.89
CCC1=C(C(=O)NCC2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300019682623	0	31	-1.0	-42.38	293.91	0.57	-41.81
CCC1=C(C(=O)NCC2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300019682623	1	31	-1.0	-42.36	293.97	0.59	-41.77
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682624	0	40	-1.0	-45.97	350.88	-1.84	-47.81
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682624	1	40	-1.0	-45.98	350.94	-1.83	-47.81
O=C(COC1=CC=CC=C1)NC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019682625	0	41	-1.0	-40.03	351.47	4.17	-35.86
O=C(COC1=CC=CC=C1)NC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019682625	1	41	-1.0	-40.04	351.53	4.18	-35.86
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300019682626	0	42	-1.0	-38.52	335.55	3.50	-35.02
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300019682626	1	42	-1.0	-38.49	335.60	3.51	-34.98
O=C(NCC1=NN=N[N-]1)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300019682627	0	32	-1.0	-38.81	307.63	1.73	-37.08
O=C(NCC1=N[N-]N=N1)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300019682627	1	32	-1.0	-38.82	307.57	1.71	-37.11
O=C(NCC1=N[N-]N=N1)C1=C2N=CNC2=CC(Br)=C1	REAL300019682628	0	26	-1.0	-45.77	258.01	1.66	-44.11
O=C(NCC1=NN=N[N-]1)C1=C2N=CNC2=CC(Br)=C1	REAL300019682628	1	26	-1.0	-45.75	258.07	1.68	-44.07
O=C(NCC1=N[N-]N=N1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019682629	0	36	-1.0	-41.76	323.17	3.87	-37.89
O=C(NCC1=NN=N[N-]1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019682629	1	36	-1.0	-41.73	323.22	3.88	-37.85
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=N[N-]N=N3)NN=C2C1	REAL300019682630	0	44	-1.0	-37.83	357.42	0.86	-36.97
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NN=N[N-]3)NN=C2C1	REAL300019682630	1	44	-1.0	-37.82	357.47	0.87	-36.95
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300019682631	0	41	-1.0	-39.19	358.75	4.37	-34.82
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300019682631	1	41	-1.0	-39.18	358.70	4.36	-34.82
O=C(NCC1=N[N-]N=N1)C1=C(Br)C=CC(F)=C1OC(F)(F)F	REAL300019682632	0	27	-1.0	-39.22	287.40	1.62	-37.60
O=C(NCC1=NN=N[N-]1)C1=C(Br)C=CC(F)=C1OC(F)(F)F	REAL300019682632	1	27	-1.0	-39.21	287.46	1.64	-37.57
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300019682633	0	29	-1.0	-39.18	291.41	3.65	-35.53
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300019682633	1	29	-1.0	-39.16	291.36	3.63	-35.53
O=C(NCC1=N[N-]N=N1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019682634	0	33	-1.0	-37.17	297.39	2.34	-34.83
O=C(NCC1=NN=N[N-]1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019682634	1	33	-1.0	-37.18	297.44	2.36	-34.82
O=C(NCC1=N[N-]N=N1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019682635	0	27	-1.0	-39.31	266.93	0.69	-38.62
O=C(NCC1=NN=N[N-]1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019682635	1	27	-1.0	-39.31	266.99	0.70	-38.61
O=C(CCC1=C(Br)C=CS1)NCC1=N[N-]N=N1	REAL300019682636	0	26	-1.0	-35.79	267.26	2.36	-33.43
O=C(CCC1=C(Br)C=CS1)NCC1=NN=N[N-]1	REAL300019682636	1	26	-1.0	-35.81	267.32	2.38	-33.43
O=C(CC1=C(Br)C=C2N=CNC2=C1)NCC1=N[N-]N=N1	REAL300019682637	0	29	-1.0	-43.15	279.53	2.04	-41.11
O=C(CC1=C(Br)C=C2N=CNC2=C1)NCC1=NN=N[N-]1	REAL300019682637	1	29	-1.0	-43.15	279.59	2.06	-41.09
O=C(CC1=C(Br)C=C2NC=NC2=C1)NCC1=N[N-]N=N1	REAL300019682637	1	29	-1.0	-42.95	279.38	2.04	-40.91
O=C(CC1=C(Br)C=C2NC=NC2=C1)NCC1=NN=N[N-]1	REAL300019682637	1	29	-1.0	-42.96	279.43	2.06	-40.90
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NCC2=N[N-]N=N2)C1	REAL300019682638	0	44	-1.0	-40.30	346.93	4.16	-36.14
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NCC2=NN=N[N-]2)C1	REAL300019682638	1	44	-1.0	-40.27	346.98	4.17	-36.10
O=C(CCC1=C(Br)C=NC=C1Br)NCC1=N[N-]N=N1	REAL300019682639	0	28	-1.0	-35.30	289.16	1.97	-33.33
O=C(CCC1=C(Br)C=NC=C1Br)NCC1=NN=N[N-]1	REAL300019682639	1	28	-1.0	-35.31	289.21	1.99	-33.32
O=C(CCCCCC(=O)NC1=CC=CC=C1)NCC1=N[N-]N=N1	REAL300019682640	0	42	-1.0	-45.51	355.86	3.33	-42.18
O=C(CCCCCC(=O)NC1=CC=CC=C1)NCC1=NN=N[N-]1	REAL300019682640	1	42	-1.0	-45.52	355.91	3.34	-42.18
CS(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(Cl)=C1	REAL300019682641	0	29	-1.0	-43.57	284.73	-0.70	-44.27
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(Cl)=C1	REAL300019682641	1	29	-1.0	-43.59	284.79	-0.69	-44.28
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300019682642	0	29	-1.0	-35.64	280.75	3.29	-32.35
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300019682642	1	29	-1.0	-35.63	280.81	3.30	-32.33
NC1=C(C(=O)NCC2=N[N-]N=N2)C=C(F)C(Br)=C1F	REAL300019682643	0	25	-1.0	-31.98	253.87	0.19	-31.79
NC1=C(C(=O)NCC2=NN=N[N-]2)C=C(F)C(Br)=C1F	REAL300019682643	1	25	-1.0	-32.02	253.92	0.20	-31.82
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)CC2CCC1CC2	REAL300019682644	0	53	-1.0	-38.35	394.71	2.66	-35.69
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)CC2CCC1CC2	REAL300019682644	1	53	-1.0	-38.34	394.76	2.67	-35.67
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)NCC3=N[N-]N=N3)N2C(=O)OC(C)(C)C)O1	REAL300019682645	0	48	-1.0	-45.31	378.30	2.43	-42.88
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)NCC3=NN=N[N-]3)N2C(=O)OC(C)(C)C)O1	REAL300019682645	1	48	-1.0	-45.32	378.36	2.44	-42.88
CC(C)(C)OC(=O)N1CCC(C2=NC(C(=O)NCC3=N[N-]N=N3)=CO2)CC1	REAL300019682646	0	49	-1.0	-41.48	399.25	0.52	-40.96
CC(C)(C)OC(=O)N1CCC(C2=NC(C(=O)NCC3=NN=N[N-]3)=CO2)CC1	REAL300019682646	1	49	-1.0	-41.47	399.31	0.54	-40.93
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=N[N-]N=N2)=NO1	REAL300019682647	0	39	-1.0	-39.27	338.70	-0.87	-40.14
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=NN=N[N-]2)=NO1	REAL300019682647	1	39	-1.0	-39.27	338.76	-0.86	-40.13
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)NCC1=N[N-]N=N1	REAL300019682648	0	45	-1.0	-49.09	368.37	-0.75	-49.84
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)NCC1=NN=N[N-]1	REAL300019682648	1	45	-1.0	-49.10	368.43	-0.74	-49.84
COC1(CC(=O)NCC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019682649	0	44	-1.0	-43.35	358.39	1.01	-42.34
COC1(CC(=O)NCC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019682649	1	44	-1.0	-43.37	358.45	1.03	-42.34
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682650	0	44	-1.0	-36.83	345.49	3.37	-33.46
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682650	1	44	-1.0	-36.83	345.43	3.35	-33.48
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N1C=C(C(=O)NCC2=NN=N[N-]2)N=N1	REAL300019682651	0	49	-1.0	-42.98	402.62	1.21	-41.77
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N1C=C(C(=O)NCC2=N[N-]N=N2)N=N1	REAL300019682651	1	49	-1.0	-42.98	402.57	1.19	-41.79
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2=N[N-]N=N2)C[C@@H]2CC[C@@H](C2)C1	REAL300019682652	0	50	-1.0	-39.91	362.37	3.26	-36.65
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2=NN=N[N-]2)C[C@@H]2CC[C@@H](C2)C1	REAL300019682652	1	50	-1.0	-39.88	362.42	3.28	-36.60
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682653	0	43	-1.0	-45.35	345.55	0.46	-44.89
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682653	1	43	-1.0	-45.29	345.61	0.47	-44.82
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=N[N-]N=N3)(CO1)CCC2	REAL300019682654	0	51	-1.0	-38.67	392.78	0.48	-38.19
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NN=N[N-]3)(CO1)CCC2	REAL300019682654	1	51	-1.0	-38.68	392.84	0.49	-38.19
COC1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C(OC)=C1OC	REAL300019682655	0	39	-1.0	-41.02	340.03	1.73	-39.29
COC1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C(OC)=C1OC	REAL300019682655	1	39	-1.0	-41.01	340.08	1.74	-39.27
CC(C)(C)OC(=O)N1C=COCC1C(=O)NCC1=N[N-]N=N1	REAL300019682656	0	39	-1.0	-41.26	323.21	0.95	-40.31
CC(C)(C)OC(=O)N1C=COCC1C(=O)NCC1=NN=N[N-]1	REAL300019682656	1	39	-1.0	-41.27	323.26	0.97	-40.30
CC(C)(C)OC(=O)NC1(C(=O)NCC2=N[N-]N=N2)CC2(CC(F)(F)C2)C1	REAL300019682657	0	47	-1.0	-44.74	384.19	1.78	-42.96
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NN=N[N-]2)CC2(CC(F)(F)C2)C1	REAL300019682657	1	47	-1.0	-44.72	384.24	1.80	-42.92
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=N[N-]N=N2)CC(C)(C)C1	REAL300019682658	0	49	-1.0	-38.59	383.38	1.49	-37.10
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NN=N[N-]2)CC(C)(C)C1	REAL300019682658	1	49	-1.0	-38.60	383.44	1.51	-37.09
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=N[N-]N=N2)(C2CC2)C1	REAL300019682659	0	47	-1.0	-40.06	368.21	3.89	-36.17
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NN=N[N-]2)(C2CC2)C1	REAL300019682659	1	47	-1.0	-40.07	368.27	3.91	-36.16
CC=CC1=CC=C(OCC(=O)NCC2=N[N-]N=N2)C(OC)=C1	REAL300019682660	0	38	-1.0	-42.35	327.11	3.54	-38.81
CC=CC1=CC=C(OCC(=O)NCC2=NN=N[N-]2)C(OC)=C1	REAL300019682660	1	38	-1.0	-42.36	327.17	3.56	-38.80
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)NCC3=N[N-]N=N3)CC2)C=C1	REAL300019682661	0	47	-1.0	-38.98	384.90	3.24	-35.74
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)NCC3=NN=N[N-]3)CC2)C=C1	REAL300019682661	1	47	-1.0	-38.92	384.96	3.26	-35.66
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NCC2=N[N-]N=N2)C1	REAL300019682662	0	47	-1.0	-41.92	375.96	0.65	-41.27
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NCC2=NN=N[N-]2)C1	REAL300019682662	1	47	-1.0	-41.93	376.01	0.67	-41.26
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NCC1=N[N-]N=N1	REAL300019682663	0	47	-1.0	-37.78	357.89	2.50	-35.28
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NCC1=NN=N[N-]1	REAL300019682663	1	47	-1.0	-37.76	357.95	2.51	-35.25
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NCC1=N[N-]N=N1)CC2	REAL300019682664	0	53	-1.0	-39.43	407.20	2.90	-36.53
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NCC1=NN=N[N-]1)CC2	REAL300019682664	1	53	-1.0	-39.43	407.26	2.91	-36.52
CC(C)(C)OC(=O)N1CCC2(CCC(CC(=O)NCC3=N[N-]N=N3)CC2)CC1	REAL300019682665	0	59	-1.0	-39.47	427.72	5.34	-34.13
CC(C)(C)OC(=O)N1CCC2(CCC(CC(=O)NCC3=NN=N[N-]3)CC2)CC1	REAL300019682665	1	59	-1.0	-39.42	427.77	5.36	-34.06
O=C(NCC1=N[N-]N=N1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019682666	0	40	-1.0	-40.58	317.13	3.74	-36.84
O=C(NCC1=NN=N[N-]1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019682666	1	40	-1.0	-40.59	317.19	3.75	-36.84
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=N[N-]N=N3)C2)CC1	REAL300019682667	0	50	-1.0	-39.07	385.38	3.82	-35.25
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NN=N[N-]3)C2)CC1	REAL300019682667	1	50	-1.0	-39.07	385.44	3.83	-35.24
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682668	0	47	-1.0	-43.14	376.79	2.18	-40.96
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682668	1	47	-1.0	-43.16	376.85	2.19	-40.97
O=C(NCC1=N[N-]N=N1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019682669	0	29	-1.0	-39.56	276.04	4.02	-35.54
O=C(NCC1=NN=N[N-]1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019682669	1	29	-1.0	-39.55	276.10	4.03	-35.52
O=C(NCC1=N[N-]N=N1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019682670	0	35	-1.0	-38.70	307.84	5.02	-33.68
O=C(NCC1=NN=N[N-]1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019682670	1	35	-1.0	-38.74	307.90	5.03	-33.71
CC(C)(C)OC1=CC(Br)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682671	0	36	-1.0	-36.17	313.22	2.99	-33.18
CC(C)(C)OC1=CC(Br)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682671	1	36	-1.0	-36.18	313.27	3.00	-33.18
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL300019682672	0	40	-1.0	-52.25	349.27	-0.37	-52.62
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL300019682672	1	40	-1.0	-52.25	349.33	-0.36	-52.61
O=C(NCC1=N[N-]N=N1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019682673	0	33	-1.0	-40.33	308.49	2.01	-38.32
O=C(NCC1=NN=N[N-]1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019682673	1	33	-1.0	-40.30	308.54	2.02	-38.28
O=C(NCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300019682674	0	26	-1.0	-34.16	271.36	2.90	-31.26
O=C(NCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300019682674	1	26	-1.0	-34.15	271.42	2.92	-31.23
O=C(NCC1=N[N-]N=N1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019682675	0	31	-1.0	-36.68	301.17	3.36	-33.32
O=C(NCC1=NN=N[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019682675	1	31	-1.0	-36.65	301.23	3.38	-33.27
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NCC1=N[N-]N=N1	REAL300019682676	0	47	-1.0	-43.13	373.96	4.42	-38.71
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NCC1=NN=N[N-]1	REAL300019682676	1	47	-1.0	-43.13	374.02	4.45	-38.68
COC(=O)C1CC(CCC(=O)NCC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300019682677	0	52	-1.0	-44.44	421.39	3.76	-40.68
COC(=O)C1CC(CCC(=O)NCC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300019682677	1	52	-1.0	-44.48	421.44	3.77	-40.71
CC1(C(=O)NCC2=N[N-]N=N2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019682678	0	33	-1.0	-38.89	303.01	3.19	-35.70
CC1(C(=O)NCC2=NN=N[N-]2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019682678	1	33	-1.0	-38.90	303.07	3.20	-35.70
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682679	0	43	-1.0	-36.76	352.62	0.60	-36.16
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682679	1	43	-1.0	-36.80	352.68	0.62	-36.18
CC(C)(C)OC(=O)N1CCC(CC2=NC(C(=O)NCC3=N[N-]N=N3)=CS2)C1	REAL300019682680	0	49	-1.0	-53.00	413.55	2.80	-50.20
CC(C)(C)OC(=O)N1CCC(CC2=NC(C(=O)NCC3=NN=N[N-]3)=CS2)C1	REAL300019682680	1	49	-1.0	-52.99	413.61	2.82	-50.17
CC(C)C[C@H](NC(=O)C1=CC=C(Cl)C=C1Cl)C(=O)NCC1=N[N-]N=N1	REAL300019682681	0	42	-1.0	-35.16	367.92	3.48	-31.68
CC(C)C[C@H](NC(=O)C1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NN=N[N-]1	REAL300019682681	1	42	-1.0	-35.17	367.98	3.49	-31.68
CC(C)(C)C1=CC=NC2=C(C(=O)NCC3=NN=N[N-]3)C=NN21	REAL300019682682	0	37	-1.0	-47.18	309.79	2.66	-44.52
CC(C)(C)C1=CC=NC2=C(C(=O)NCC3=N[N-]N=N3)C=NN21	REAL300019682682	1	37	-1.0	-47.18	309.73	2.65	-44.53
O=C(NCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019682683	0	33	-1.0	-35.84	295.79	3.89	-31.95
O=C(NCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019682683	1	33	-1.0	-35.83	295.85	3.90	-31.93
O=C(CCC1=CC=CC(Br)=C1F)NCC1=N[N-]N=N1	REAL300019682684	0	29	-1.0	-38.30	283.64	3.36	-34.94
O=C(CCC1=CC=CC(Br)=C1F)NCC1=NN=N[N-]1	REAL300019682684	1	29	-1.0	-38.32	283.69	3.38	-34.94
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682685	0	43	-1.0	-35.07	356.57	1.12	-33.95
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682685	1	43	-1.0	-34.99	356.63	1.14	-33.85
O=C(NCC1=N[N-]N=N1)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300019682686	0	45	-1.0	-35.20	366.88	6.96	-28.24
O=C(NCC1=NN=N[N-]1)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300019682686	1	45	-1.0	-35.15	366.93	6.98	-28.17
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC3=N[N-]N=N3)C[C@@H]12	REAL300019682687	0	41	-1.0	-38.83	341.13	0.69	-38.14
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC3=NN=N[N-]3)C[C@@H]12	REAL300019682687	1	41	-1.0	-38.84	341.19	0.71	-38.13
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=N[N-]N=N1)[C@@H]1CC2=CC=CC=C2O1	REAL300019682688	0	48	-1.0	-38.97	385.56	2.08	-36.89
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NN=N[N-]1)[C@@H]1CC2=CC=CC=C2O1	REAL300019682688	1	48	-1.0	-38.97	385.62	2.10	-36.87
COC1=CC(Br)=C(C(=O)NCC2=N[N-]N=N2)C=C1F	REAL300019682689	0	27	-1.0	-36.61	263.42	1.26	-35.35
COC1=CC(Br)=C(C(=O)NCC2=NN=N[N-]2)C=C1F	REAL300019682689	1	27	-1.0	-36.62	263.48	1.27	-35.35
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019682690	0	41	-1.0	-45.38	338.45	0.88	-44.50
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019682690	1	41	-1.0	-45.40	338.51	0.90	-44.50
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NCC1=N[N-]N=N1	REAL300019682691	0	44	-1.0	-41.52	357.79	2.74	-38.78
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NCC1=NN=N[N-]1	REAL300019682691	1	44	-1.0	-41.50	357.84	2.75	-38.75
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=N[N-]N=N2)C12COC2	REAL300019682692	0	45	-1.0	-41.60	354.23	1.06	-40.54
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NN=N[N-]2)C12COC2	REAL300019682692	1	45	-1.0	-41.55	354.29	1.08	-40.47
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O	REAL300019682693	0	41	-1.0	-43.78	350.22	-0.42	-44.20
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O	REAL300019682693	1	41	-1.0	-43.80	350.27	-0.41	-44.21
O=C(NCC1=N[N-]N=N1)C1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1	REAL300019682694	0	41	-1.0	-43.18	348.69	-0.48	-43.66
O=C(NCC1=NN=N[N-]1)C1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1	REAL300019682694	1	41	-1.0	-43.22	348.74	-0.47	-43.69
CC1(C)OC2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2NC1=O	REAL300019682695	0	35	-1.0	-37.78	301.89	-0.20	-37.98
CC1(C)OC2=CC(C(=O)NCC3=NN=N[N-]3)=CC=C2NC1=O	REAL300019682695	1	35	-1.0	-37.76	301.95	-0.19	-37.95
CN1N=CC2=NC(C(F)F)=C(C(=O)NCC3=N[N-]N=N3)C=C21	REAL300019682696	0	31	-1.0	-38.80	281.38	0.19	-38.61
CN1N=CC2=NC(C(F)F)=C(C(=O)NCC3=NN=N[N-]3)C=C21	REAL300019682696	1	31	-1.0	-38.77	281.44	0.20	-38.57
COC(=O)C1=CC=CC2=C(C(=O)NCC3=NN=N[N-]3)C=CC=C12	REAL300019682697	0	35	-1.0	-38.28	302.42	3.98	-34.30
COC(=O)C1=CC=CC2=C(C(=O)NCC3=N[N-]N=N3)C=CC=C12	REAL300019682697	1	35	-1.0	-38.27	302.36	3.97	-34.30
CCOCC(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019682698	0	43	-1.0	-36.81	355.13	-0.97	-37.78
CCOCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019682698	1	43	-1.0	-36.85	355.19	-0.96	-37.81
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=N[N-]N=N2)OCC12CCC2	REAL300019682699	0	51	-1.0	-39.80	392.22	2.78	-37.02
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NN=N[N-]2)OCC12CCC2	REAL300019682699	1	51	-1.0	-39.81	392.27	2.80	-37.01
CC1=C(C(=O)NCC2=N[N-]N=N2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300019682700	0	45	-1.0	-36.46	384.23	0.40	-36.06
CC1=C(C(=O)NCC2=NN=N[N-]2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300019682700	1	45	-1.0	-36.46	384.29	0.42	-36.04
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCC3=N[N-]N=N3)C2)C1	REAL300019682701	0	50	-1.0	-43.04	385.51	3.78	-39.26
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCC3=NN=N[N-]3)C2)C1	REAL300019682701	1	50	-1.0	-43.00	385.57	3.79	-39.21
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NCC2=N[N-]N=N2)C1	REAL300019682702	0	46	-1.0	-37.95	360.53	2.51	-35.44
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NCC2=NN=N[N-]2)C1	REAL300019682702	1	46	-1.0	-37.95	360.58	2.52	-35.43
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NCC2=N[N-]N=N2)C1	REAL300019682703	0	50	-1.0	-40.71	380.75	3.96	-36.75
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NCC2=NN=N[N-]2)C1	REAL300019682703	1	50	-1.0	-40.68	380.81	3.97	-36.71
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682704	0	43	-1.0	-42.85	346.55	0.52	-42.33
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682704	1	43	-1.0	-42.82	346.61	0.54	-42.28
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCC2=N[N-]N=N2)O[C@@H]2COC[C@H]21	REAL300019682705	0	49	-1.0	-39.57	379.95	0.68	-38.89
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCC2=NN=N[N-]2)O[C@@H]2COC[C@H]21	REAL300019682705	1	49	-1.0	-39.52	380.00	0.70	-38.82
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NCC2=N[N-]N=N2)C1	REAL300019682706	0	44	-1.0	-41.00	360.05	1.42	-39.58
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NCC2=NN=N[N-]2)C1	REAL300019682706	1	44	-1.0	-41.04	360.10	1.44	-39.60
CC(C)(C)OC(=O)N1CCC2CC(CC(=O)NCC3=N[N-]N=N3)CCC2C1	REAL300019682707	0	56	-1.0	-40.25	413.55	4.92	-35.33
CC(C)(C)OC(=O)N1CCC2CC(CC(=O)NCC3=NN=N[N-]3)CCC2C1	REAL300019682707	1	56	-1.0	-40.30	413.61	4.94	-35.36
CCOC(=O)C1(C(=O)NCC2=N[N-]N=N2)CCCN(C(=O)OC(C)(C)C)C1	REAL300019682708	0	52	-1.0	-43.37	407.67	3.99	-39.38
CCOC(=O)C1(C(=O)NCC2=NN=N[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300019682708	1	52	-1.0	-43.35	407.72	4.00	-39.35
COC1=CC=CC2=C1CC(C(=O)NCC1=N[N-]N=N1)N2C(=O)OC(C)(C)C	REAL300019682709	0	48	-1.0	-45.53	388.28	3.50	-42.03
COC1=CC=CC2=C1CC(C(=O)NCC1=NN=N[N-]1)N2C(=O)OC(C)(C)C	REAL300019682709	1	48	-1.0	-45.53	388.34	3.51	-42.02
CC(C)(C)OC(=O)NC(C(=O)NCC1=N[N-]N=N1)(C1CC1)C(F)(F)F	REAL300019682710	0	43	-1.0	-40.68	351.47	1.34	-39.34
CC(C)(C)OC(=O)NC(C(=O)NCC1=NN=N[N-]1)(C1CC1)C(F)(F)F	REAL300019682710	1	43	-1.0	-40.65	351.53	1.35	-39.30
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=N[N-]N=N2)C12CCC2	REAL300019682711	0	47	-1.0	-38.43	361.03	2.36	-36.07
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NN=N[N-]2)C12CCC2	REAL300019682711	1	47	-1.0	-38.46	361.09	2.38	-36.08
CN1N=C2CCN(C(=O)OC(C)(C)C)CC2=C1C(=O)NCC1=N[N-]N=N1	REAL300019682712	0	47	-1.0	-42.32	383.26	2.01	-40.31
CN1N=C2CCN(C(=O)OC(C)(C)C)CC2=C1C(=O)NCC1=NN=N[N-]1	REAL300019682712	1	47	-1.0	-42.36	383.31	2.03	-40.33
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)NCC1=N[N-]N=N1)C(F)(F)F	REAL300019682713	0	45	-1.0	-33.56	353.83	1.09	-32.47
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)NCC1=NN=N[N-]1)C(F)(F)F	REAL300019682713	1	45	-1.0	-33.53	353.89	1.10	-32.43
O=C(NCC1=N[N-]N=N1)C1=C(F)C=C(Br)C=C1[N+](=O)[O-]	REAL300019682714	0	25	-1.0	-41.53	267.66	2.68	-38.85
O=C(NCC1=NN=N[N-]1)C1=C(F)C=C(Br)C=C1[N+](=O)[O-]	REAL300019682714	1	25	-1.0	-41.54	267.72	2.69	-38.85
CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300019682715	0	37	-1.0	-43.52	314.30	-0.30	-43.82
CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300019682715	1	37	-1.0	-43.52	314.36	-0.29	-43.81
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682716	0	44	-1.0	-44.98	345.41	3.28	-41.70
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682716	1	44	-1.0	-45.00	345.46	3.29	-41.71
O=C(NCC1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019682717	0	26	-1.0	-35.02	262.89	2.65	-32.37
O=C(NCC1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019682717	1	26	-1.0	-35.00	262.95	2.67	-32.33
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NCC1=N[N-]N=N1	REAL300019682718	0	34	-1.0	-43.14	306.17	-2.52	-45.66
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NCC1=NN=N[N-]1	REAL300019682718	1	34	-1.0	-43.12	306.23	-2.51	-45.63
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019682719	0	29	-1.0	-36.21	289.34	3.62	-32.59
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019682719	1	29	-1.0	-36.21	289.39	3.64	-32.57
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NCC1=N[N-]N=N1	REAL300019682720	0	36	-1.0	-36.94	319.34	4.72	-32.22
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NCC1=NN=N[N-]1	REAL300019682720	1	36	-1.0	-36.95	319.39	4.73	-32.22
CON(CCC(=O)NCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019682721	0	40	-1.0	-38.47	335.12	1.31	-37.16
CON(CCC(=O)NCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019682721	1	40	-1.0	-38.45	335.18	1.32	-37.13
O=C(NCC1=N[N-]N=N1)C1=CC2=NNN=C2C(Br)=C1	REAL300019682722	0	25	-1.0	-36.02	252.68	-0.88	-36.90
O=C(NCC1=NN=N[N-]1)C1=CC2=NNN=C2C(Br)=C1	REAL300019682722	1	25	-1.0	-36.00	252.74	-0.87	-36.87
CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)NCC2=N[N-]N=N2)C1	REAL300019682723	0	50	-1.0	-45.33	382.31	0.71	-44.62
CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)NCC2=NN=N[N-]2)C1	REAL300019682723	1	50	-1.0	-45.37	382.36	0.72	-44.65
CC(C)(C)OC(=O)NC1=NOC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682724	0	36	-1.0	-36.04	312.03	-0.16	-36.20
CC(C)(C)OC(=O)NC1=NOC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682724	1	36	-1.0	-36.03	312.08	-0.14	-36.17
CC(C)(C)OC(=O)NC(CCCCCC1OCCO1)C(=O)NCC1=N[N-]N=N1	REAL300019682725	0	57	-1.0	-44.57	448.13	2.33	-42.24
CC(C)(C)OC(=O)NC(CCCCCC1OCCO1)C(=O)NCC1=NN=N[N-]1	REAL300019682725	1	57	-1.0	-44.54	448.19	2.34	-42.20
O=C(NCC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019682726	0	30	-1.0	-37.79	292.76	4.05	-33.74
O=C(NCC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019682726	1	30	-1.0	-37.77	292.81	4.06	-33.71
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NCC1=N[N-]N=N1	REAL300019682727	0	29	-1.0	-39.65	298.56	1.36	-38.29
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NCC1=NN=N[N-]1	REAL300019682727	1	29	-1.0	-39.64	298.62	1.37	-38.27
O=C(CCN1C2=C(C=C(Cl)C=C2)C2=C1C=CC(Cl)=C2)NCC1=N[N-]N=N1	REAL300019682728	0	39	-1.0	-35.57	369.84	7.01	-28.56
O=C(CCN1C2=C(C=C(Cl)C=C2)C2=C1C=CC(Cl)=C2)NCC1=NN=N[N-]1	REAL300019682728	1	39	-1.0	-35.58	369.90	7.03	-28.55
O=C(NCC1=N[N-]N=N1)C1CC(C2=CC=CC(Br)=C2)=NO1	REAL300019682729	0	31	-1.0	-40.69	300.69	3.26	-37.43
O=C(NCC1=NN=N[N-]1)C1CC(C2=CC=CC(Br)=C2)=NO1	REAL300019682729	1	31	-1.0	-40.69	300.75	3.27	-37.42
O=C(CN1C=C(I)C=N1)NCC1=NN=N[N-]1	REAL300019682730	0	23	-1.0	-40.37	244.70	0.45	-39.92
O=C(CN1C=C(I)C=N1)NCC1=N[N-]N=N1	REAL300019682730	1	23	-1.0	-40.32	244.64	0.44	-39.88
O=C(NCC1=NN=N[N-]1)C1=CN=C2C=C(Br)C=CN12	REAL300019682731	0	26	-1.0	-36.89	258.39	2.18	-34.71
O=C(NCC1=N[N-]N=N1)C1=CN=C2C=C(Br)C=CN12	REAL300019682731	1	26	-1.0	-36.89	258.33	2.17	-34.72
O=C(CCC1=C(C2=CC=CC=C2)NC2=C(Cl)C=CC=C12)NCC1=N[N-]N=N1	REAL300019682732	0	43	-1.0	-37.45	382.94	6.65	-30.80
O=C(CCC1=C(C2=CC=CC=C2)NC2=C(Cl)C=CC=C12)NCC1=NN=N[N-]1	REAL300019682732	1	43	-1.0	-37.45	383.00	6.66	-30.79
O=C(NCC1=NN=N[N-]1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019682733	0	33	-1.0	-47.21	299.55	-2.39	-49.60
O=C(NCC1=N[N-]N=N1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019682733	1	33	-1.0	-47.16	299.49	-2.41	-49.57
CC(C)(C)OC(=O)NC1CC2CCC1(C(=O)NCC1=N[N-]N=N1)C2(C)C	REAL300019682734	0	53	-1.0	-43.62	389.08	2.96	-40.66
CC(C)(C)OC(=O)NC1CC2CCC1(C(=O)NCC1=NN=N[N-]1)C2(C)C	REAL300019682734	1	53	-1.0	-43.59	389.10	2.97	-40.62
CC(C)(C)OC(=O)NC1(C(=O)NCC2=N[N-]N=N2)CC2CCC(C2)C1	REAL300019682735	0	50	-1.0	-40.41	362.04	3.26	-37.15
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NN=N[N-]2)CC2CCC(C2)C1	REAL300019682735	1	50	-1.0	-40.41	362.10	3.28	-37.13
COC1=C(Cl)C=C(C(=O)NCC2=NN=N[N-]2)C2=NC=CC=C21	REAL300019682736	0	32	-1.0	-42.55	299.60	2.11	-40.44
COC1=C(Cl)C=C(C(=O)NCC2=N[N-]N=N2)C2=NC=CC=C21	REAL300019682736	1	32	-1.0	-42.60	299.54	2.10	-40.50
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NCC1=NN=N[N-]1	REAL300019682737	0	38	-1.0	-41.00	327.44	1.35	-39.65
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NCC1=N[N-]N=N1	REAL300019682737	1	38	-1.0	-41.00	327.38	1.33	-39.67
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NCC2=N[N-]N=N2)C1	REAL300019682738	0	44	-1.0	-44.00	357.08	2.30	-41.70
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NCC2=NN=N[N-]2)C1	REAL300019682738	1	44	-1.0	-43.98	357.14	2.32	-41.66
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)NCC2=N[N-]N=N2)=C1F	REAL300019682739	0	40	-1.0	-41.48	348.52	1.90	-39.58
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)NCC2=NN=N[N-]2)=C1F	REAL300019682739	1	40	-1.0	-41.49	348.58	1.91	-39.58
O=C(NCC1=N[N-]N=N1)C1CCC(C(F)(F)F)CC1C(F)(F)F	REAL300019682740	0	35	-1.0	-37.54	310.36	3.00	-34.54
O=C(NCC1=NN=N[N-]1)C1CCC(C(F)(F)F)CC1C(F)(F)F	REAL300019682740	1	35	-1.0	-37.51	310.42	3.01	-34.50
O=C(NCC1=NN=N[N-]1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300019682741	0	29	-1.0	-33.64	289.18	3.47	-30.17
O=C(NCC1=N[N-]N=N1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300019682741	1	29	-1.0	-33.64	289.13	3.45	-30.19
CC(C)(C)C1CCC2=C(C=C(C(=O)NCC3=N[N-]N=N3)C(=O)N2)C1	REAL300019682742	0	45	-1.0	-49.43	345.75	2.91	-46.52
CC(C)(C)C1CCC2=C(C=C(C(=O)NCC3=NN=N[N-]3)C(=O)N2)C1	REAL300019682742	1	45	-1.0	-49.46	345.80	2.92	-46.54
O=C(NCC1=NN=N[N-]1)C1=COC(CN2C=C(Br)C=N2)=C1	REAL300019682743	0	30	-1.0	-42.19	300.98	1.69	-40.50
O=C(NCC1=N[N-]N=N1)C1=COC(CN2C=C(Br)C=N2)=C1	REAL300019682743	1	30	-1.0	-42.20	300.92	1.67	-40.53
O=C(CC1=C(F)C=CC(F)=C1Br)NCC1=N[N-]N=N1	REAL300019682744	0	26	-1.0	-37.65	265.28	2.50	-35.15
O=C(CC1=C(F)C=CC(F)=C1Br)NCC1=NN=N[N-]1	REAL300019682744	1	26	-1.0	-37.71	265.34	2.51	-35.20
O=C(NCC1=N[N-]N=N1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300019682745	0	37	-1.0	-52.41	317.57	1.13	-51.28
O=C(NCC1=NN=N[N-]1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300019682745	1	37	-1.0	-52.39	317.63	1.14	-51.25
CC(C)(C)OC(=O)NOCCCC(=O)NCC1=N[N-]N=N1	REAL300019682746	0	40	-1.0	-44.04	337.56	0.11	-43.93
CC(C)(C)OC(=O)NOCCCC(=O)NCC1=NN=N[N-]1	REAL300019682746	1	40	-1.0	-44.00	337.61	0.13	-43.87
O=C(NCC1=N[N-]N=N1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300019682747	0	33	-1.0	-40.06	302.07	1.95	-38.11
O=C(NCC1=NN=N[N-]1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300019682747	1	33	-1.0	-40.07	302.13	1.96	-38.11
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300019682748	0	32	-1.0	-40.67	299.91	3.47	-37.20
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300019682748	1	32	-1.0	-40.68	299.85	3.45	-37.23
O=C(NCC1=N[N-]N=N1)C(O)C1=CC=C(Cl)C=C1Cl	REAL300019682749	0	27	-1.0	-36.76	267.83	1.10	-35.66
O=C(NCC1=NN=N[N-]1)C(O)C1=CC=C(Cl)C=C1Cl	REAL300019682749	1	27	-1.0	-36.74	267.88	1.11	-35.63
O=C(CC1=C(Br)C=CC(Cl)=C1F)NCC1=N[N-]N=N1	REAL300019682750	0	26	-1.0	-37.27	275.76	2.96	-34.31
O=C(CC1=C(Br)C=CC(Cl)=C1F)NCC1=NN=N[N-]1	REAL300019682750	1	26	-1.0	-37.24	275.81	2.97	-34.27
O=C(CC1=CC=C(Br)C2=CC=CC=C12)NCC1=N[N-]N=N1	REAL300019682751	0	32	-1.0	-37.94	297.29	4.56	-33.38
O=C(CC1=CC=C(Br)C2=CC=CC=C12)NCC1=NN=N[N-]1	REAL300019682751	1	32	-1.0	-37.92	297.35	4.57	-33.35
O=C(NCC1=N[N-]N=N1)C1=COC2=CC=C(Br)C=C12	REAL300019682752	0	26	-1.0	-38.56	261.54	2.20	-36.36
O=C(NCC1=NN=N[N-]1)C1=COC2=CC=C(Br)C=C12	REAL300019682752	1	26	-1.0	-38.54	261.60	2.22	-36.32
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL300019682753	0	47	-1.0	-36.25	364.46	1.78	-34.47
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL300019682753	1	47	-1.0	-36.25	364.51	1.80	-34.45
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682754	0	32	-1.0	-35.20	304.87	4.18	-31.02
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682754	1	32	-1.0	-35.19	304.92	4.19	-31.00
O=C(NCC1=N[N-]N=N1)C1=CC2=CC=C(Br)C=C2O1	REAL300019682755	0	26	-1.0	-36.60	264.06	2.23	-34.37
O=C(NCC1=NN=N[N-]1)C1=CC2=CC=C(Br)C=C2O1	REAL300019682755	1	26	-1.0	-36.56	264.11	2.25	-34.31
CC1=C(F)C=C(C(=O)NCC2=N[N-]N=N2)C=C1I	REAL300019682756	0	26	-1.0	-33.61	262.13	2.90	-30.71
CC1=C(F)C=C(C(=O)NCC2=NN=N[N-]2)C=C1I	REAL300019682756	1	26	-1.0	-33.61	262.19	2.92	-30.69
CC(CN1C=C(C(=O)NCC2=NN=N[N-]2)C=N1)NC(=O)OC(C)(C)C	REAL300019682757	0	46	-1.0	-45.73	385.04	0.51	-45.22
CC(CN1C=C(C(=O)NCC2=N[N-]N=N2)C=N1)NC(=O)OC(C)(C)C	REAL300019682757	1	46	-1.0	-45.74	384.99	0.50	-45.24
O=C(NCC1=NN=N[N-]1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019682758	0	50	0.0	-64.94	398.02	4.73	-60.21
O=C(NCC1=NN=N[N-]1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019682758	1	50	0.0	-63.33	397.39	4.83	-58.50
O=C(NCC1=N[N-]N=N1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019682758	1	50	0.0	-64.87	397.96	4.72	-60.15
O=C(NCC1=N[N-]N=N1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019682758	1	50	0.0	-63.35	397.34	4.82	-58.53
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=N[N-]N=N3)C=CC(F)=C2C1	REAL300019682759	0	47	-1.0	-37.68	377.19	4.47	-33.21
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NN=N[N-]3)C=CC(F)=C2C1	REAL300019682759	1	47	-1.0	-37.65	377.24	4.48	-33.17
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300019682760	0	49	-1.0	-38.47	393.99	2.73	-35.74
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300019682760	1	49	-1.0	-38.53	394.04	2.75	-35.78
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(C)=C1CN(C)C(=O)OC(C)(C)C	REAL300019682761	0	52	-1.0	-42.56	397.89	4.80	-37.76
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(C)=C1CN(C)C(=O)OC(C)(C)C	REAL300019682761	1	52	-1.0	-42.53	397.95	4.81	-37.72
COC1=CC=C(N2CCCCC2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019682762	0	42	-1.0	-41.19	335.73	3.16	-38.03
COC1=CC=C(N2CCCCC2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019682762	1	42	-1.0	-41.19	335.78	3.18	-38.01
COC1CC(C(=O)NCC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019682763	0	47	-1.0	-43.71	367.45	1.33	-42.38
COC1CC(C(=O)NCC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019682763	1	47	-1.0	-43.71	367.51	1.35	-42.36
O=C(NCC1=NN=N[N-]1)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1	REAL300019682764	0	35	-1.0	-44.01	314.39	2.05	-41.96
O=C(NCC1=N[N-]N=N1)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1	REAL300019682764	1	35	-1.0	-44.01	314.33	2.04	-41.97
O=C(C#CC1=CC=C(Br)C=C1)NCC1=N[N-]N=N1	REAL300019682765	0	25	-1.0	-35.38	264.63	3.21	-32.17
O=C(C#CC1=CC=C(Br)C=C1)NCC1=NN=N[N-]1	REAL300019682765	1	25	-1.0	-35.39	264.69	3.23	-32.16
CC(C)(C)OC(=O)NCC1CC(CC(=O)NCC2=N[N-]N=N2)CO1	REAL300019682766	0	47	-1.0	-40.30	377.94	-0.39	-40.69
CC(C)(C)OC(=O)NCC1CC(CC(=O)NCC2=NN=N[N-]2)CO1	REAL300019682766	1	47	-1.0	-40.30	378.00	-0.37	-40.67
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL300019682767	0	49	-1.0	-40.91	399.44	3.53	-37.38
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL300019682767	1	49	-1.0	-40.91	399.49	3.54	-37.37
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=N[N-]N=N3)CO2)CC1	REAL300019682768	0	51	-1.0	-37.82	394.38	2.34	-35.48
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NN=N[N-]3)CO2)CC1	REAL300019682768	1	51	-1.0	-37.83	394.44	2.35	-35.48
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=N[N-]N=N2)C(F)(F)CC1	REAL300019682769	0	49	-1.0	-41.14	380.45	4.32	-36.82
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NN=N[N-]2)C(F)(F)CC1	REAL300019682769	1	49	-1.0	-41.15	380.50	4.34	-36.81
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=N[N-]N=N2)O1	REAL300019682770	0	44	-1.0	-40.05	347.12	1.74	-38.31
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=NN=N[N-]2)O1	REAL300019682770	1	44	-1.0	-40.05	347.18	1.75	-38.30
CC(C(=O)NCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300019682771	0	39	-1.0	-38.76	345.09	6.43	-32.33
CC(C(=O)NCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300019682771	1	39	-1.0	-38.74	345.15	6.45	-32.29
COC(=O)C1=CC2=C(C(=O)NCC3=N[N-]N=N3)NN=C2C=C1	REAL300019682772	0	32	-1.0	-39.85	293.23	0.57	-39.28
COC(=O)C1=CC2=C(C(=O)NCC3=NN=N[N-]3)NN=C2C=C1	REAL300019682772	1	32	-1.0	-39.86	293.28	0.58	-39.28
O=C(NCC1=N[N-]N=N1)C1CC(F)(F)CN1C(=O)OCC1=CC=CC=C1	REAL300019682773	0	41	-1.0	-42.57	361.51	4.28	-38.29
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CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NCC1=N[N-]N=N1)=CC(=O)N2	REAL300019682774	0	47	-1.0	-47.93	376.85	1.21	-46.72
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CSC1=CC=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019689250	1	36	-1.0	-42.32	333.05	4.47	-37.85
CCC(CC)(COCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689251	0	55	-1.0	-41.80	440.62	8.16	-33.64
CCC(CC)(COCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689251	1	55	-1.0	-41.79	440.69	8.15	-33.64
CC(=O)NCC(C)(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689252	0	42	-1.0	-49.81	350.78	2.51	-47.30
CC(=O)NCC(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689252	1	42	-1.0	-49.79	350.84	2.51	-47.28
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CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019689257	0	39	-1.0	-42.58	349.63	6.76	-35.82
CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019689257	1	39	-1.0	-42.57	349.69	6.76	-35.81
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COC(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL300019689259	0	36	-1.0	-42.57	324.96	3.60	-38.97
COC(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL300019689259	1	36	-1.0	-42.55	325.02	3.60	-38.95
CSCC1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019689260	0	40	-1.0	-41.61	349.07	5.84	-35.77
CSCC1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019689260	1	40	-1.0	-41.64	349.14	5.83	-35.81
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC3CC(C(=O)N1)C2C3	REAL300019689262	1	42	-1.0	-45.96	342.09	2.65	-43.31
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689263	0	47	-1.0	-47.32	393.77	3.22	-44.10
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689263	1	47	-1.0	-47.32	393.83	3.21	-44.11
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NC(=O)C1=NN(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019689264	1	36	-1.0	-58.66	329.81	0.53	-58.13
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CC1=CC=CC(C2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300019689265	1	47	-1.0	-43.67	391.67	8.30	-35.37
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CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689269	0	49	-1.0	-48.79	414.97	3.51	-45.28
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689269	1	49	-1.0	-48.74	415.03	3.50	-45.24
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CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019689271	0	51	-1.0	-46.71	410.10	7.24	-39.47
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689271	1	51	-1.0	-46.66	410.16	7.23	-39.43
CC(C)(C)N1N=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019689272	0	40	-1.0	-45.74	349.62	2.77	-42.97
CC(C)(C)N1N=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019689272	1	40	-1.0	-45.73	349.55	2.78	-42.95
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CC1=CC(Br)=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019689274	0	39	-1.0	-41.46	347.17	6.87	-34.59
CC1=CC(Br)=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019689274	1	39	-1.0	-41.52	347.23	6.86	-34.66
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CC[C@H](C2CCC2)CC1	REAL300019689275	1	49	-1.0	-40.98	385.97	7.86	-33.12
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019689276	0	47	-1.0	-45.12	394.79	7.13	-37.99
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019689276	1	47	-1.0	-45.12	394.85	7.13	-37.99
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689277	0	50	-1.0	-46.12	428.24	8.98	-37.14
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689277	1	50	-1.0	-46.11	428.30	8.97	-37.14
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C(Cl)=CC=CN2N=C1	REAL300019689278	0	36	-1.0	-48.53	329.92	5.24	-43.29
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C(Cl)=CC=CN2N=C1	REAL300019689278	1	36	-1.0	-48.55	329.86	5.25	-43.30
CC(=O)NC(CCC(C)C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689279	0	48	-1.0	-49.08	389.96	5.27	-43.81
CC(=O)NC(CCC(C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689279	1	48	-1.0	-49.02	390.02	5.26	-43.76
COC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C#N	REAL300019689280	0	38	-1.0	-45.54	341.97	4.73	-40.81
COC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C#N	REAL300019689280	1	38	-1.0	-45.52	342.03	4.73	-40.79
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=CC(Br)=C1F	REAL300019689281	0	36	-1.0	-41.63	334.14	6.33	-35.30
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=CC(Br)=C1F	REAL300019689281	1	36	-1.0	-41.60	334.20	6.32	-35.28
CC1=CC2=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)N=CN2C=C1	REAL300019689282	0	39	-1.0	-50.05	342.11	6.95	-43.10
CC1=CC2=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)N=CN2C=C1	REAL300019689282	1	39	-1.0	-50.07	342.05	6.96	-43.11
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=NC(Cl)=CC=C2S1	REAL300019689283	0	35	-1.0	-44.24	343.28	4.95	-39.29
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=NC(Cl)=CC=C2S1	REAL300019689283	1	35	-1.0	-44.24	343.22	4.96	-39.28
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C2=CC=NC=C12	REAL300019689284	0	38	-1.0	-44.27	334.61	5.49	-38.78
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C2=CC=NC=C12	REAL300019689284	1	38	-1.0	-44.32	334.55	5.50	-38.82
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O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300019689285	1	36	-1.0	-45.36	356.46	6.20	-39.16
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N#CC1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300019689288	0	43	-1.0	-49.32	349.66	5.69	-43.63
N#CC1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL300019689288	1	43	-1.0	-49.32	349.73	5.68	-43.64
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CC(C)(CC(F)(F)F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689292	0	38	-1.0	-40.77	323.12	4.84	-35.93
CC(C)(CC(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689292	1	38	-1.0	-40.75	323.19	4.83	-35.92
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CC1(C)OCC2CC21C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689295	0	41	-1.0	-41.49	339.43	4.20	-37.29
CC1(C)OCC2CC21C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689295	1	41	-1.0	-41.41	339.49	4.19	-37.22
COC1=NOC(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019689296	0	39	-1.0	-44.99	346.30	2.09	-42.90
COC1=NOC(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019689296	1	39	-1.0	-44.99	346.36	2.08	-42.91
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=CNC2=NC=N1	REAL300019689297	0	35	-1.0	-46.61	313.95	4.15	-42.46
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=CNC2=NC=N1	REAL300019689297	1	35	-1.0	-46.62	314.02	4.15	-42.47
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC=C1Br	REAL300019689298	0	33	-1.0	-44.01	331.89	5.83	-38.18
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC=C1Br	REAL300019689298	1	33	-1.0	-44.03	331.95	5.82	-38.21
CN1C=C(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300019689299	0	36	-1.0	-49.87	327.61	2.78	-47.09
CN1C=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300019689299	1	36	-1.0	-49.84	327.67	2.77	-47.07
CC(C)(C)OC(=O)C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL300019689300	0	49	-1.0	-41.65	397.60	7.27	-34.38
CC(C)(C)OC(=O)C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL300019689300	1	49	-1.0	-41.65	397.66	7.26	-34.39
CC(C)(C)OC(=O)C(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)(C)C	REAL300019689301	0	53	-1.0	-45.71	414.39	8.09	-37.62
CC(C)(C)OC(=O)C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)(C)C	REAL300019689301	1	53	-1.0	-45.68	414.45	8.08	-37.60
CC(C)(C)OC(=O)C(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL300019689302	0	48	-1.0	-45.04	398.17	6.80	-38.24
CC(C)(C)OC(=O)C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL300019689302	1	48	-1.0	-44.95	398.24	6.79	-38.16
CC(C)(C)OC(=O)C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL300019689303	0	55	-1.0	-42.37	427.18	7.98	-34.39
CC(C)(C)OC(=O)C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL300019689303	1	55	-1.0	-42.31	427.24	7.97	-34.34
CC(C)(C)OC(=O)C1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019689304	0	54	-1.0	-46.79	421.15	7.79	-39.00
CC(C)(C)OC(=O)C1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019689304	1	54	-1.0	-46.77	421.22	7.78	-38.99
C=C(C)CC(NC(C)=O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689305	0	43	-1.0	-44.31	364.18	3.42	-40.89
C=C(C)CC(NC(C)=O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689305	1	43	-1.0	-44.29	364.24	3.41	-40.88
COC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC(F)(F)CC1	REAL300019689306	0	43	-1.0	-41.79	354.00	4.52	-37.27
COC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC(F)(F)CC1	REAL300019689306	1	43	-1.0	-41.76	354.06	4.51	-37.25
CN1C=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C1=CC=CC=C1	REAL300019689307	0	44	-1.0	-46.03	372.33	7.89	-38.14
CN1C=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C1=CC=CC=C1	REAL300019689307	1	44	-1.0	-45.99	372.40	7.88	-38.11
CCCCCC1=NNC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019689308	0	45	-1.0	-42.74	382.04	5.15	-37.59
CCCCCC1=NNC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019689308	1	45	-1.0	-42.68	382.10	5.14	-37.54
CC(C)[C@H](NCC(F)(F)F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689309	0	43	-1.0	-44.27	364.54	3.27	-41.00
CC(C)[C@H](NCC(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689309	1	43	-1.0	-44.20	364.60	3.26	-40.94
CNC1=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019689310	0	34	-1.0	-43.36	317.32	2.07	-41.29
CNC1=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300019689310	1	34	-1.0	-43.41	317.26	2.07	-41.34
CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1C1CCOCC1	REAL300019689311	0	51	-1.0	-44.08	401.96	6.21	-37.87
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1C1CCOCC1	REAL300019689311	1	51	-1.0	-44.07	402.03	6.20	-37.87
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019689312	0	39	-1.0	-43.32	357.48	6.06	-37.26
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019689312	1	39	-1.0	-43.31	357.42	6.07	-37.24
CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(NCC(F)(F)F)=N1	REAL300019689313	0	43	-1.0	-43.23	384.95	4.78	-38.45
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(NCC(F)(F)F)=N1	REAL300019689313	1	43	-1.0	-43.18	385.01	4.77	-38.41
CC1=CC([N+](=O)[O-])=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019689314	0	37	-1.0	-43.50	339.70	4.58	-38.92
CC1=CC([N+](=O)[O-])=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019689314	1	37	-1.0	-43.50	339.77	4.57	-38.93
CC1(C)CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC(C)(C)C1	REAL300019689315	0	51	-1.0	-40.89	389.04	7.14	-33.75
CC1(C)CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C)(C)C1	REAL300019689315	1	51	-1.0	-40.91	389.10	7.14	-33.77
O=C(CN1C=C(C2CC2)C=N1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689316	0	40	-1.0	-48.62	348.57	5.26	-43.36
O=C(CN1C=C(C2CC2)C=N1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689316	1	40	-1.0	-48.67	348.52	5.27	-43.40
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1COCC2	REAL300019689317	0	41	-1.0	-43.84	340.49	5.15	-38.69
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1COCC2	REAL300019689317	1	41	-1.0	-43.81	340.56	5.14	-38.67
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(CC2(F)F)C1	REAL300019689318	0	37	-1.0	-44.73	329.63	5.57	-39.16
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CC2(F)F)C1	REAL300019689318	1	37	-1.0	-44.74	329.70	5.57	-39.17
CC1=CC(F)=CC(C)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689319	0	39	-1.0	-42.11	341.48	6.01	-36.10
CC1=CC(F)=CC(C)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689319	1	39	-1.0	-42.07	341.55	6.00	-36.07
CN1N=CC(C2CCC2)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689320	0	43	-1.0	-43.52	365.86	5.27	-38.25
CN1N=CC(C2CCC2)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689320	1	43	-1.0	-43.54	365.80	5.28	-38.26
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(N2C=NN=N2)CC1	REAL300019689321	0	35	-1.0	-46.17	317.33	3.07	-43.10
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(N2C=NN=N2)CC1	REAL300019689321	1	35	-1.0	-46.26	317.27	3.08	-43.18
C[C@@H](C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019689322	0	49	-1.0	-45.02	396.51	5.08	-39.94
C[C@@H](C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019689322	1	49	-1.0	-44.97	396.57	5.07	-39.90
COC(=O)C1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL300019689323	0	39	-1.0	-44.47	350.33	4.60	-39.87
COC(=O)C1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL300019689323	1	39	-1.0	-44.46	350.39	4.59	-39.87
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(CO)C1=CC=CC=C1	REAL300019689324	0	40	-1.0	-43.37	341.67	3.38	-39.99
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(CO)C1=CC=CC=C1	REAL300019689324	1	40	-1.0	-43.29	341.74	3.37	-39.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300019689325	0	46	0.0	-63.06	358.61	5.92	-57.14
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@H+]1C1CCCC1	REAL300019689325	1	46	0.0	-63.05	358.65	5.86	-57.19
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCN1C1CCCC1	REAL300019689325	1	45	-1.0	-43.22	361.34	3.49	-39.73
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(Br)C=N1	REAL300019689326	0	32	-1.0	-40.52	326.01	4.35	-36.17
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(Br)C=N1	REAL300019689326	1	32	-1.0	-40.51	325.95	4.36	-36.15
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2N=C(CO)NC2=CC=C1	REAL300019689327	0	40	-1.0	-51.65	349.99	1.42	-50.23
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2N=C(CO)NC2=CC=C1	REAL300019689327	1	40	-1.0	-51.66	350.05	1.41	-50.25
CCC1=CNC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019689328	0	39	-1.0	-49.97	338.92	3.77	-46.20
CCC1=CNC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019689328	1	39	-1.0	-49.97	338.98	3.76	-46.21
O=C(CC1=CN=CC2=CC=CC=C21)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689329	0	41	-1.0	-47.21	354.94	6.04	-41.17
O=C(CC1=CN=CC2=CC=CC=C21)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689329	1	41	-1.0	-47.21	354.88	6.05	-41.16
CC(=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CN1CCOCC1	REAL300019689330	0	46	-1.0	-42.38	374.66	2.46	-39.92
CC(=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CN1CCOCC1	REAL300019689330	1	46	-1.0	-42.38	374.73	2.45	-39.93
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN=C(C2=CC=CO2)O1	REAL300019689331	0	35	-1.0	-46.85	328.92	-0.85	-47.70
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN=C(C2=CC=CO2)O1	REAL300019689331	1	35	-1.0	-46.84	328.98	-0.86	-47.70
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019689332	0	36	-1.0	-47.87	331.24	4.73	-43.14
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019689332	1	36	-1.0	-47.84	331.31	4.72	-43.12
CN(C)C1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(F)(F)F)=C1	REAL300019689333	0	44	-1.0	-43.00	382.88	6.43	-36.57
CN(C)C1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(F)(F)F)=C1	REAL300019689333	1	44	-1.0	-43.02	382.94	6.42	-36.60
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019689334	0	37	-1.0	-41.93	348.72	6.48	-35.45
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019689334	1	37	-1.0	-41.91	348.78	6.48	-35.43
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN2C=CC=NC2=N1	REAL300019689335	0	34	-1.0	-54.99	313.33	5.17	-49.82
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN2C=CC=NC2=N1	REAL300019689335	1	34	-1.0	-54.99	313.27	5.18	-49.81
CC(=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CO1	REAL300019689336	0	37	-1.0	-42.67	326.43	5.08	-37.59
CC(=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CO1	REAL300019689336	1	37	-1.0	-42.65	326.50	5.07	-37.58
COC1=CC=CC=C1C(F)(F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689337	0	40	-1.0	-44.42	353.82	5.19	-39.23
COC1=CC=CC=C1C(F)(F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689337	1	40	-1.0	-44.43	353.88	5.18	-39.25
CC1=NNC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019689338	0	39	-1.0	-44.58	340.81	4.32	-40.26
CC1=NNC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019689338	1	39	-1.0	-44.54	340.87	4.31	-40.23
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC2=CC=NC=C21	REAL300019689339	0	38	-1.0	-47.56	342.67	5.30	-42.26
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC2=CC=NC=C21	REAL300019689339	1	38	-1.0	-47.53	342.60	5.31	-42.22
NC(=O)N=NC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019689340	0	39	-1.0	-48.41	353.47	0.20	-48.21
NC(=O)N=NC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019689340	1	39	-1.0	-48.36	353.54	0.19	-48.17
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCNC1=O	REAL300019689341	0	37	-1.0	-45.24	316.07	0.81	-44.43
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCNC1=O	REAL300019689341	1	37	-1.0	-45.27	316.14	0.81	-44.46
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC(=S)N1C1CC1	REAL300019689342	0	38	-1.0	-50.79	336.71	5.20	-45.59
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC(=S)N1C1CC1	REAL300019689342	1	38	-1.0	-50.75	336.77	5.19	-45.56
O=C(C=CC1=CC=C(C2OCCO2)O1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689343	0	43	-1.0	-46.71	379.38	4.46	-42.25
O=C(C=CC1=CC=C(C2OCCO2)O1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689343	1	43	-1.0	-46.67	379.44	4.45	-42.22
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COC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC1	REAL300019689357	0	41	-1.0	-44.84	336.09	2.83	-42.01
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CN(C)C(=O)C1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019689369	0	49	-1.0	-47.57	389.04	5.09	-42.48
CN(C)C(=O)C1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019689369	1	49	-1.0	-47.54	389.11	5.08	-42.46
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CC(C)[C@@H](C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)N1CC2=CC=CC=C2C1=O	REAL300019689372	0	50	-1.0	-54.47	411.74	9.23	-45.24
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CC(C)CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019689374	0	48	-1.0	-41.87	408.55	8.65	-33.22
CC(C)CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019689374	1	48	-1.0	-41.83	408.61	8.64	-33.19
CC(C)N1C(=O)NC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019689375	0	46	-1.0	-46.79	386.91	5.27	-41.52
CC(C)N1C(=O)NC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019689375	1	46	-1.0	-46.77	386.97	5.26	-41.51
COC1=CC=CC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019689376	0	40	-1.0	-46.39	360.00	5.47	-40.92
COC1=CC=CC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019689376	1	40	-1.0	-46.35	360.06	5.47	-40.88
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CCCCC(C)(F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689378	0	41	-1.0	-40.83	343.63	5.52	-35.31
CCCCC(C)(F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689378	1	41	-1.0	-40.82	343.69	5.51	-35.31
CC1=NC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(N)=N1	REAL300019689379	0	36	-1.0	-42.88	314.45	2.11	-40.77
CC1=NC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(N)=N1	REAL300019689379	1	36	-1.0	-42.85	314.51	2.10	-40.75
CCC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019689380	0	52	-1.0	-44.85	415.55	6.18	-38.67
CCC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019689380	1	52	-1.0	-44.83	415.62	6.17	-38.66
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CC(C)C[C@H](NCC(F)(F)F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689384	0	46	-1.0	-41.66	390.90	4.27	-37.39
CC(C)C[C@H](NCC(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689384	1	46	-1.0	-41.68	390.96	4.26	-37.42
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019689385	0	53	-1.0	-50.16	426.10	5.81	-44.35
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689385	1	53	-1.0	-50.20	426.17	5.80	-44.40
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CC(C)N(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300019689389	0	52	-1.0	-47.26	415.79	6.34	-40.92
CC(C)N(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300019689389	1	52	-1.0	-47.28	415.85	6.34	-40.94
CC(=O)C1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OC(C)C	REAL300019689390	0	48	-1.0	-46.46	400.54	7.56	-38.90
CC(=O)C1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1OC(C)C	REAL300019689390	1	48	-1.0	-46.41	400.60	7.55	-38.86
C[NH+](C)CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019689391	0	42	0.0	-65.34	343.19	5.14	-60.20
C[NH+](C)CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019689391	1	42	0.0	-65.35	343.25	5.13	-60.22
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019689392	0	52	0.0	-71.86	400.53	5.57	-66.29
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019689392	1	52	0.0	-69.52	398.62	5.48	-64.04
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019689392	1	52	0.0	-71.86	400.47	5.58	-66.28
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019689392	1	52	0.0	-69.48	398.55	5.49	-63.99
NC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1CC1=CC=CC=C1	REAL300019689393	0	45	-1.0	-45.34	387.51	5.66	-39.68
NC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1CC1=CC=CC=C1	REAL300019689393	1	45	-1.0	-45.31	387.45	5.67	-39.64
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2CCCCN2C=C1	REAL300019689394	0	41	-1.0	-44.96	341.31	6.25	-38.71
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2CCCCN2C=C1	REAL300019689394	1	41	-1.0	-44.96	341.37	6.24	-38.72
CC1=CC=NC(NC2=CC=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)=N1	REAL300019689395	0	46	-1.0	-48.35	395.97	8.17	-40.18
CC1=CC=NC(NC2=CC=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)=N1	REAL300019689395	1	46	-1.0	-48.43	395.91	8.18	-40.25
CCNC1=NC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019689396	0	37	-1.0	-43.04	338.55	3.01	-40.03
CCNC1=NC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019689396	1	37	-1.0	-43.07	338.49	3.02	-40.05
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2)C=C1	REAL300019689397	0	40	-1.0	-42.25	341.54	7.13	-35.12
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2)C=C1	REAL300019689397	1	40	-1.0	-42.22	341.60	7.12	-35.10
COC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL300019689398	0	43	-1.0	-42.89	352.79	5.52	-37.37
COC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL300019689398	1	43	-1.0	-42.91	352.85	5.51	-37.40
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689399	0	43	-1.0	-42.65	362.71	7.57	-35.08
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689399	1	43	-1.0	-42.58	362.78	7.56	-35.02
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2=CC=CC=C2CO1	REAL300019689400	0	41	-1.0	-45.14	349.36	6.22	-38.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2=CC=CC=C2CO1	REAL300019689400	1	41	-1.0	-45.06	349.42	6.21	-38.85
COC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300019689401	0	46	-1.0	-43.44	366.71	6.00	-37.44
COC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300019689401	1	46	-1.0	-43.37	366.78	5.99	-37.38
CC(CC1=CC=CO1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689402	0	39	-1.0	-42.79	336.11	5.22	-37.57
CC(CC1=CC=CO1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689402	1	39	-1.0	-42.76	336.17	5.21	-37.55
CC1CC2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2O1	REAL300019689403	0	41	-1.0	-43.67	349.23	5.60	-38.07
CC1CC2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2O1	REAL300019689403	1	41	-1.0	-43.68	349.29	5.60	-38.08
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CCCCC2	REAL300019689404	0	46	-1.0	-41.20	363.36	6.91	-34.29
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CCCCC2	REAL300019689404	1	46	-1.0	-41.22	363.42	6.90	-34.32
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019689405	0	39	-1.0	-43.24	350.51	7.79	-35.45
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019689405	1	39	-1.0	-43.20	350.57	7.78	-35.42
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300019689406	0	39	-1.0	-53.32	359.41	7.16	-46.16
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300019689406	1	39	-1.0	-53.32	359.34	7.17	-46.15
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1C1=CN(C)N=C1	REAL300019689407	0	47	-1.0	-46.43	401.21	6.67	-39.76
CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1C1=CN(C)N=C1	REAL300019689407	1	47	-1.0	-46.39	401.15	6.68	-39.71
CC1=NC(C2=CC=CS2)=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019689408	0	42	-1.0	-46.17	388.44	6.04	-40.13
CC1=NC(C2=CC=CS2)=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019689408	1	42	-1.0	-46.21	388.38	6.05	-40.16
COCC1=CSC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019689409	0	37	-1.0	-43.24	339.78	3.74	-39.50
COCC1=CSC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019689409	1	37	-1.0	-43.24	339.85	3.73	-39.51
CC[C@@H]1CCO[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689410	0	40	-1.0	-44.43	326.54	5.21	-39.22
CC[C@@H]1CCO[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689410	1	40	-1.0	-44.46	326.61	5.20	-39.26
CC(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCO1	REAL300019689411	0	43	-1.0	-42.34	348.02	4.27	-38.07
CC(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCO1	REAL300019689411	1	43	-1.0	-42.30	348.08	4.27	-38.03
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019689412	0	46	0.0	-63.12	381.48	5.71	-57.41
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019689413	0	47	-1.0	-45.93	403.75	5.77	-40.16
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019689413	1	47	-1.0	-45.98	403.69	5.78	-40.20
NC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(Br)=N1	REAL300019689414	0	34	-1.0	-43.00	324.22	2.51	-40.49
NC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(Br)=N1	REAL300019689414	1	34	-1.0	-43.02	324.16	2.52	-40.50
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC2=C1COCC2	REAL300019689415	0	37	-1.0	-44.24	324.14	2.63	-41.61
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2=C1COCC2	REAL300019689415	1	37	-1.0	-44.19	324.20	2.62	-41.57
CC1=CN2C=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC2=N1	REAL300019689416	0	39	-1.0	-48.32	340.88	6.16	-42.16
CC1=CN2C=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC2=N1	REAL300019689416	1	39	-1.0	-48.33	340.94	6.15	-42.18
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CC2)N=N1	REAL300019689417	0	36	-1.0	-46.14	323.31	2.85	-43.29
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CC2)N=N1	REAL300019689417	1	36	-1.0	-46.18	323.25	2.86	-43.32
O=C(CC1NC(=O)C2=CC=CC=C21)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689418	0	41	-1.0	-49.67	356.64	3.48	-46.19
O=C(CC1NC(=O)C2=CC=CC=C21)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689418	1	41	-1.0	-49.64	356.70	3.47	-46.17
CNC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019689419	0	38	-1.0	-43.41	332.61	3.92	-39.49
CNC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019689419	1	38	-1.0	-43.32	332.67	3.91	-39.41
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2C(C1)C2(F)F	REAL300019689420	0	40	-1.0	-42.78	334.69	5.99	-36.79
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2C(C1)C2(F)F	REAL300019689420	1	40	-1.0	-42.76	334.75	5.98	-36.78
CC(F)(F)C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019689421	0	36	-1.0	-41.09	316.72	4.89	-36.20
CC(F)(F)C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019689421	1	36	-1.0	-41.06	316.79	4.89	-36.17
CS(=O)(=O)N1CCC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019689422	0	44	-1.0	-48.89	372.37	1.68	-47.21
CS(=O)(=O)N1CCC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689422	1	44	-1.0	-48.88	372.43	1.67	-47.21
COC1=CC=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1OC(F)F	REAL300019689423	0	44	-1.0	-49.16	385.48	5.19	-43.97
COC1=CC=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1OC(F)F	REAL300019689423	1	44	-1.0	-49.15	385.54	5.18	-43.97
CC1=CC=CC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Br	REAL300019689424	0	39	-1.0	-43.81	353.38	6.77	-37.04
CC1=CC=CC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Br	REAL300019689424	1	39	-1.0	-43.77	353.45	6.76	-37.01
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019689425	0	48	-1.0	-46.97	399.32	4.54	-42.43
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019689425	1	48	-1.0	-46.96	399.38	4.54	-42.42
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019689426	0	42	-1.0	-51.59	370.04	5.44	-46.15
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019689426	1	42	-1.0	-51.60	369.97	5.45	-46.15
COC1=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL300019689427	0	33	-1.0	-44.70	304.35	-1.36	-46.06
COC1=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL300019689427	1	33	-1.0	-44.74	304.29	-1.36	-46.10
CC1=CC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=NC=C1Cl	REAL300019689428	0	38	-1.0	-46.31	346.20	5.17	-41.14
CC1=CC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=NC=C1Cl	REAL300019689428	1	38	-1.0	-46.30	346.27	5.16	-41.14
NC1=C(Cl)C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019689429	0	35	-1.0	-41.72	335.99	4.07	-37.65
NC1=C(Cl)C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019689429	1	35	-1.0	-41.71	336.06	4.06	-37.65
CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC(F)(F)CC1	REAL300019689430	0	45	-1.0	-41.91	358.28	6.25	-35.66
CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC(F)(F)CC1	REAL300019689430	1	45	-1.0	-41.84	358.34	6.24	-35.60
CN1N=CC(C(F)(F)F)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689431	0	36	-1.0	-44.29	338.58	3.67	-40.62
CN1N=CC(C(F)(F)F)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689431	1	36	-1.0	-44.35	338.52	3.68	-40.67
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019689432	0	45	-1.0	-42.20	363.62	6.28	-35.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019689432	1	45	-1.0	-42.19	363.69	6.27	-35.92
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CCOCC1	REAL300019689433	0	40	-1.0	-40.97	335.52	3.72	-37.25
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CCOCC1	REAL300019689433	1	40	-1.0	-40.96	335.59	3.71	-37.25
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019689434	0	36	-1.0	-42.89	343.59	6.54	-36.35
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019689434	1	36	-1.0	-42.88	343.65	6.53	-36.35
CSCC[C@H](NC(N)=O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689435	0	42	-1.0	-52.93	367.33	1.46	-51.47
CSCC[C@H](NC(N)=O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689435	1	42	-1.0	-52.88	367.40	1.45	-51.43
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019689436	0	46	-1.0	-42.30	384.48	8.42	-33.88
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019689436	1	46	-1.0	-42.28	384.55	8.42	-33.86
CC1=CCC(C)(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019689437	0	43	-1.0	-41.71	346.78	6.21	-35.50
CC1=CCC(C)(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019689437	1	43	-1.0	-41.66	346.84	6.20	-35.46
CCN1C(=O)NC2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019689438	0	43	-1.0	-47.41	372.08	4.84	-42.57
CCN1C(=O)NC2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019689438	1	43	-1.0	-47.38	372.14	4.83	-42.55
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CC(C)(C)C1=CC=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019689577	1	49	-1.0	-42.47	403.05	8.52	-33.95
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019689578	0	33	-1.0	-44.49	323.97	5.40	-39.09
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019689578	1	33	-1.0	-44.48	324.03	5.40	-39.08
CCN1N=CC(Cl)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689579	0	36	-1.0	-43.21	336.52	4.03	-39.18
CCN1N=CC(Cl)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689579	1	36	-1.0	-43.22	336.46	4.03	-39.19
COC(=O)C1=C(C)C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019689580	0	39	-1.0	-42.97	351.38	4.44	-38.53
COC(=O)C1=C(C)C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019689580	1	39	-1.0	-42.90	351.45	4.43	-38.47
COC(=O)C1=CN(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300019689581	0	39	-1.0	-50.94	354.02	3.81	-47.13
COC(=O)C1=CN(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300019689581	1	39	-1.0	-51.00	353.96	3.82	-47.18
C[C@@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)NC(=O)OC(C)(C)C	REAL300019689582	0	49	-1.0	-48.36	402.83	3.75	-44.61
C[C@@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)NC(=O)OC(C)(C)C	REAL300019689582	1	49	-1.0	-48.37	402.89	3.74	-44.63
CC(C)(C)OC(=O)NC1CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019689583	0	51	-1.0	-45.05	419.01	4.43	-40.62
CC(C)(C)OC(=O)NC1CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689583	1	51	-1.0	-45.08	419.07	4.42	-40.66
CN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CC=CO2)=N1	REAL300019689584	0	40	-1.0	-50.24	356.06	5.55	-44.69
CN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CC=CO2)=N1	REAL300019689584	1	40	-1.0	-50.30	355.99	5.56	-44.74
NC(=O)C1=CC=C(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019689585	0	38	-1.0	-45.87	349.45	1.31	-44.56
NC(=O)C1=CC=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019689585	1	38	-1.0	-45.87	349.51	1.30	-44.57
COC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1	REAL300019689586	0	40	-1.0	-43.58	329.72	4.72	-38.86
COC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL300019689586	1	40	-1.0	-43.60	329.79	4.72	-38.88
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)OC(S(N)(=O)=O)=C1	REAL300019689587	0	38	-1.0	-49.12	351.07	-1.29	-50.41
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)OC(S(N)(=O)=O)=C1	REAL300019689587	1	38	-1.0	-49.05	351.13	-1.29	-50.34
CSC1=CC=C(O)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019689588	0	38	-1.0	-44.97	341.32	4.58	-40.39
CSC1=CC=C(O)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019689588	1	38	-1.0	-44.99	341.39	4.57	-40.42
CCCCC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL300019689589	0	47	-1.0	-40.99	368.34	7.24	-33.75
CCCCC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL300019689589	1	47	-1.0	-40.94	368.41	7.24	-33.70
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689590	0	51	-1.0	-49.23	412.51	6.76	-42.47
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689590	1	51	-1.0	-49.22	412.57	6.76	-42.46
CC1=CC=C(C2=NN(C)C=C2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019689591	0	43	-1.0	-50.93	377.99	6.36	-44.57
CC1=CC=C(C2=NN(C)C=C2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019689591	1	43	-1.0	-50.85	377.93	6.37	-44.48
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019689592	0	52	-1.0	-41.71	390.01	9.40	-32.31
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019689592	1	52	-1.0	-41.70	390.07	9.40	-32.30
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019689593	0	37	-1.0	-46.51	346.57	3.52	-42.99
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019689593	1	37	-1.0	-46.53	346.63	3.51	-43.02
CC1=CC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1C1=CC=CC=C1	REAL300019689594	0	50	-1.0	-46.43	424.50	9.74	-36.69
CC1=CC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1C1=CC=CC=C1	REAL300019689594	1	50	-1.0	-46.38	424.56	9.73	-36.65
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC2)CC1	REAL300019689595	0	43	-1.0	-41.31	349.48	6.58	-34.73
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC2)CC1	REAL300019689595	1	43	-1.0	-41.27	349.54	6.57	-34.70
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=CC(F)=CC=C21	REAL300019689596	0	40	-1.0	-42.85	340.79	7.07	-35.78
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=CC(F)=CC=C21	REAL300019689596	1	40	-1.0	-42.86	340.85	7.07	-35.79
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019689597	0	46	-1.0	-42.98	383.31	8.26	-34.72
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300019689597	1	46	-1.0	-42.93	383.37	8.25	-34.68
CCOCCN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019689598	0	43	-1.0	-44.58	374.49	3.65	-40.93
CCOCCN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019689598	1	43	-1.0	-44.58	374.43	3.66	-40.92
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)(F)F)SC=C1	REAL300019689599	0	33	-1.0	-44.64	317.17	5.12	-39.52
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)(F)F)SC=C1	REAL300019689599	1	33	-1.0	-44.59	317.23	5.11	-39.48
CC1=NN(C2CCOCC2)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019689600	0	47	-1.0	-43.23	388.77	4.39	-38.84
CC1=NN(C2CCOCC2)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019689600	1	47	-1.0	-43.23	388.84	4.38	-38.85
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689601	0	52	-1.0	-46.28	418.34	1.91	-44.37
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689601	1	52	-1.0	-46.21	418.40	1.90	-44.31
CN1N=C(Cl)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019689602	0	33	-1.0	-43.82	332.31	3.48	-40.34
CN1N=C(Cl)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019689602	1	33	-1.0	-43.87	332.25	3.49	-40.38
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1CC1=CC=CC=C1	REAL300019689603	0	49	-1.0	-43.08	400.55	8.92	-34.16
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1CC1=CC=CC=C1	REAL300019689603	1	49	-1.0	-43.05	400.62	8.91	-34.14
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019689604	0	46	-1.0	-43.23	395.79	7.39	-35.84
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019689604	1	46	-1.0	-43.25	395.73	7.40	-35.85
CN1C=C(Cl)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019689605	0	33	-1.0	-46.20	313.14	3.32	-42.88
CN1C=C(Cl)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019689605	1	33	-1.0	-46.24	313.08	3.33	-42.91
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCCC2)CCNC1=O	REAL300019689606	0	47	-1.0	-46.57	366.18	3.15	-43.42
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCCC2)CCNC1=O	REAL300019689606	1	47	-1.0	-46.56	366.24	3.14	-43.42
CCOC1=CC=CC(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019689607	0	44	-1.0	-44.28	378.22	6.43	-37.85
CCOC1=CC=CC(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019689607	1	44	-1.0	-44.26	378.28	6.43	-37.83
COC1=CC=C(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019689608	0	41	-1.0	-43.88	356.30	5.52	-38.36
COC1=CC=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019689608	1	41	-1.0	-43.85	356.36	5.52	-38.33
O=C(CC1=CC=C(F)C(Cl)=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689609	0	36	-1.0	-45.01	339.57	6.26	-38.75
O=C(CC1=CC=C(F)C(Cl)=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689609	1	36	-1.0	-44.96	339.63	6.25	-38.71
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)SC=C1	REAL300019689610	0	30	-1.0	-43.01	297.36	4.53	-38.48
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)SC=C1	REAL300019689610	1	30	-1.0	-43.01	297.43	4.52	-38.49
CC1(C)CC1(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019689611	0	46	-1.0	-41.99	377.48	7.79	-34.20
CC1(C)CC1(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019689611	1	46	-1.0	-42.02	377.54	7.79	-34.23
O=C(CCOC1=CC=C(Cl)C(F)=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689612	0	40	-1.0	-43.77	369.43	5.90	-37.87
O=C(CCOC1=CC=C(Cl)C(F)=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689612	1	40	-1.0	-43.78	369.49	5.89	-37.89
CC(=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CS1	REAL300019689613	0	37	-1.0	-41.27	335.37	6.07	-35.20
CC(=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CS1	REAL300019689613	1	37	-1.0	-41.23	335.44	6.06	-35.17
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1C(F)(F)F	REAL300019689614	0	33	-1.0	-45.38	316.85	5.00	-40.38
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1C(F)(F)F	REAL300019689614	1	33	-1.0	-45.36	316.91	5.00	-40.36
CCCC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019689615	0	45	-1.0	-41.85	392.63	8.12	-33.73
CCCC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019689615	1	45	-1.0	-41.85	392.69	8.11	-33.74
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689616	0	50	-1.0	-46.69	414.75	4.78	-41.91
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689616	1	50	-1.0	-46.67	414.81	4.77	-41.90
CCC(NC1=CC=CN=C1Cl)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689617	0	43	-1.0	-45.35	379.76	4.38	-40.97
CCC(NC1=CC=CN=C1Cl)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689617	1	43	-1.0	-45.37	379.70	4.39	-40.98
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019689618	0	39	-1.0	-52.03	349.76	1.64	-50.39
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019689618	1	39	-1.0	-52.03	349.83	1.64	-50.39
CC(C)(C)OC(=O)C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300019689619	0	57	-1.0	-41.18	428.02	8.29	-32.89
CC(C)(C)OC(=O)C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300019689619	1	57	-1.0	-41.14	428.09	8.29	-32.85
CN1C=C(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300019689620	0	38	-1.0	-48.71	335.15	2.98	-45.73
CN1C=C(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300019689620	1	38	-1.0	-48.68	335.22	2.98	-45.70
CCOCCOCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689621	0	46	-1.0	-46.48	389.47	3.75	-42.73
CCOCCOCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689621	1	46	-1.0	-46.44	389.53	3.74	-42.70
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689622	0	41	-1.0	-46.27	370.97	4.07	-42.20
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689622	1	41	-1.0	-46.29	371.03	4.06	-42.23
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019689623	0	42	-1.0	-47.00	381.06	5.40	-41.60
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019689623	1	42	-1.0	-46.99	381.12	5.39	-41.60
COC1=CC=CC(C(OC)C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019689624	0	44	-1.0	-44.47	378.80	5.13	-39.34
COC1=CC=CC(C(OC)C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019689624	1	44	-1.0	-44.43	378.86	5.12	-39.31
COCCOCCOCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689625	0	50	-1.0	-48.16	423.09	3.11	-45.05
COCCOCCOCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689625	1	50	-1.0	-48.10	423.15	3.11	-44.99
COC1=CC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1OC	REAL300019689626	0	47	-1.0	-45.94	396.79	6.52	-39.42
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CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689746	1	47	-1.0	-45.11	391.88	-0.58	-45.69
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CC(C)(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019689756	0	48	0.0	-60.87	361.96	6.41	-54.46
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CC(=O)C1=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019692231	1	34	-1.0	-50.57	324.50	2.58	-47.99
COC1=NN(C)C(Br)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692232	0	37	-1.0	-45.51	352.49	1.10	-44.41
COC1=NN(C)C(Br)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692232	1	37	-1.0	-45.52	352.43	1.11	-44.41
CC(=O)NC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019692233	0	40	-1.0	-52.70	353.14	4.00	-48.70
CC(=O)NC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019692233	1	40	-1.0	-52.71	353.20	3.99	-48.72
O=C(CC1=CC(C(F)(F)F)=CO1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692234	0	36	-1.0	-45.83	338.54	4.91	-40.92
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CS(=O)(=O)C1(C2=CC=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)CC1	REAL300019692235	0	46	-1.0	-61.83	392.94	4.21	-57.62
CS(=O)(=O)C1(C2=CC=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)CC1	REAL300019692235	1	46	-1.0	-61.82	393.00	4.20	-57.62
CC1=C2C=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)SC2=C(C)S1	REAL300019692236	0	39	-1.0	-43.68	366.19	6.98	-36.70
CC1=C2C=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)SC2=C(C)S1	REAL300019692236	1	39	-1.0	-43.67	366.25	6.97	-36.70
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2N=CC=C2C=C1	REAL300019692237	0	36	-1.0	-45.64	319.52	4.80	-40.84
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2N=CC=C2C=C1	REAL300019692237	1	36	-1.0	-45.66	319.46	4.81	-40.85
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2=NN=CN21	REAL300019692238	0	39	-1.0	-49.20	326.60	5.89	-43.31
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2=NN=CN21	REAL300019692238	1	39	-1.0	-49.16	326.66	5.89	-43.27
CC1(C)CCCC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019692239	0	46	-1.0	-44.00	365.82	5.78	-38.22
CC1(C)CCCC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019692239	1	46	-1.0	-43.96	365.88	5.77	-38.19
COC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1	REAL300019692240	0	39	-1.0	-45.67	344.27	4.04	-41.63
COC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1	REAL300019692240	1	39	-1.0	-45.71	344.21	4.05	-41.66
CCN1C(=O)CCC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692241	0	40	-1.0	-48.99	335.44	4.08	-44.91
CCN1C(=O)CCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692241	1	40	-1.0	-48.98	335.51	4.07	-44.91
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300019692242	0	45	-1.0	-49.08	365.86	1.76	-47.32
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300019692242	1	45	-1.0	-49.05	365.92	1.75	-47.30
O=C(CN1C=CC2=CC(F)=CC=C21)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692243	0	40	-1.0	-47.61	356.64	7.24	-40.37
O=C(CN1C=CC2=CC(F)=CC=C21)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692243	1	40	-1.0	-47.60	356.70	7.24	-40.36
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300019692244	0	47	-1.0	-49.73	395.17	6.84	-42.89
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300019692244	1	47	-1.0	-49.74	395.23	6.83	-42.91
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019692245	0	41	-1.0	-51.32	358.13	5.88	-45.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019692245	1	41	-1.0	-51.31	358.20	5.88	-45.43
COC1=CC2=NC=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=C2C=C1	REAL300019692246	0	42	-1.0	-45.29	357.93	4.68	-40.61
COC1=CC2=NC=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=C2C=C1	REAL300019692246	1	42	-1.0	-45.35	357.87	4.69	-40.66
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC2=C1CCC2	REAL300019692247	0	39	-1.0	-43.46	330.20	5.10	-38.36
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CCSC1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019692248	0	46	-1.0	-41.78	381.09	7.20	-34.58
CCSC1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019692248	1	46	-1.0	-41.74	381.15	7.19	-34.55
CC1=CC(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=N1	REAL300019692249	0	44	-1.0	-44.40	376.48	5.96	-38.44
CC1=CC(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=N1	REAL300019692249	1	44	-1.0	-44.34	376.54	5.95	-38.39
CC1=CC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019692250	0	42	-1.0	-43.48	359.76	7.94	-35.54
CC1=CC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019692250	1	42	-1.0	-43.39	359.83	7.93	-35.46
O=C(CCC1=CC=CC(=O)N1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692251	0	39	-1.0	-49.95	343.01	3.30	-46.65
O=C(CCC1=CC=CC(=O)N1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692251	1	39	-1.0	-49.93	343.07	3.29	-46.64
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(Cl)=C1Cl	REAL300019692252	0	30	-1.0	-43.44	313.68	5.05	-38.39
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(Cl)=C1Cl	REAL300019692252	1	30	-1.0	-43.38	313.74	5.04	-38.34
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019692253	0	45	-1.0	-48.93	385.67	4.49	-44.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019692253	1	45	-1.0	-48.94	385.74	4.48	-44.46
CC1=NN(C2CCC2)C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692254	0	43	-1.0	-44.20	360.79	5.36	-38.84
CC1=NN(C2CCC2)C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692254	1	43	-1.0	-44.15	360.85	5.35	-38.80
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019692255	0	40	-1.0	-45.00	359.79	6.24	-38.76
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019692255	1	40	-1.0	-45.01	359.73	6.24	-38.77
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC=C1Br	REAL300019692256	1	31	-1.0	-47.12	299.14	3.50	-43.62
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692257	0	43	-1.0	-52.30	390.18	4.65	-47.65
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692257	1	43	-1.0	-52.26	390.24	4.65	-47.61
CCC1=C(C)SC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692258	0	39	-1.0	-42.11	340.72	6.06	-36.05
CCC1=C(C)SC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692258	1	39	-1.0	-42.13	340.79	6.05	-36.08
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(OC(F)(F)F)C1	REAL300019692259	0	37	-1.0	-41.53	335.90	3.55	-37.98
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(OC(F)(F)F)C1	REAL300019692259	1	37	-1.0	-41.47	335.96	3.54	-37.93
CS(=O)(=O)C1=COC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692260	0	36	-1.0	-51.20	339.62	0.48	-50.72
CS(=O)(=O)C1=COC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692260	1	36	-1.0	-51.19	339.68	0.47	-50.72
O=C(CC1=CC=C2COCCC2=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692261	0	44	-1.0	-45.40	370.69	5.79	-39.61
O=C(CC1=CC=C2COCCC2=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692261	1	44	-1.0	-45.39	370.75	5.78	-39.61
O=C(CC1=CC=C2CCOCC2=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692262	0	44	-1.0	-45.42	370.68	5.79	-39.63
O=C(CC1=CC=C2CCOCC2=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692262	1	44	-1.0	-45.41	370.75	5.78	-39.63
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300019692263	0	42	-1.0	-43.89	368.20	6.72	-37.17
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300019692263	1	42	-1.0	-43.86	368.14	6.73	-37.13
CC1=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Br	REAL300019692264	0	35	-1.0	-41.51	329.29	4.43	-37.08
CC1=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Br	REAL300019692264	1	35	-1.0	-41.54	329.35	4.42	-37.12
COC1=CC(Br)=CN=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692265	0	36	-1.0	-43.99	338.45	4.47	-39.52
COC1=CC(Br)=CN=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692265	1	36	-1.0	-44.02	338.39	4.47	-39.55
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019692266	0	42	-1.0	-53.10	375.56	2.67	-50.43
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019692266	1	42	-1.0	-53.09	375.62	2.66	-50.43
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC(=O)CC1	REAL300019692267	0	39	-1.0	-49.08	326.01	4.48	-44.60
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC(=O)CC1	REAL300019692267	1	39	-1.0	-49.09	326.08	4.47	-44.62
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2SCCC(=O)C2=C1	REAL300019692268	0	40	-1.0	-47.30	356.78	6.31	-40.99
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2SCCC(=O)C2=C1	REAL300019692268	1	40	-1.0	-47.29	356.84	6.30	-40.99
CCN1N=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019692269	0	38	-1.0	-46.51	331.82	2.72	-43.79
CCN1N=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019692269	1	38	-1.0	-46.46	331.88	2.71	-43.75
CCC1=CC=C(N2C=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)N=N2)C=C1	REAL300019692270	0	45	-1.0	-45.83	392.59	6.14	-39.69
CCC1=CC=C(N2C=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)N=N2)C=C1	REAL300019692270	1	45	-1.0	-45.85	392.53	6.15	-39.70
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019692271	0	38	-2.0	-81.26	356.37	3.66	-77.60
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019692271	1	38	-2.0	-81.25	356.43	3.65	-77.60
CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CN(C)C1=O	REAL300019692272	0	39	-1.0	-46.82	337.78	4.47	-42.35
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CN(C)C1=O	REAL300019692272	1	39	-1.0	-46.80	337.85	4.47	-42.33
O=C(CC1CCCC(F)(F)C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692273	0	42	-1.0	-43.90	347.93	6.09	-37.81
O=C(CC1CCCC(F)(F)C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692273	1	42	-1.0	-43.85	347.99	6.08	-37.77
CC(C)CC(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692274	0	54	-1.0	-42.68	431.89	10.15	-32.53
CC(C)CC(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692274	1	54	-1.0	-42.62	431.95	10.14	-32.48
O=C(CC1CC(C(F)F)C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692275	0	39	-1.0	-44.25	338.70	5.68	-38.57
O=C(CC1CC(C(F)F)C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692275	1	39	-1.0	-44.23	338.77	5.67	-38.56
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692276	0	44	-1.0	-43.60	374.83	6.82	-36.78
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692276	1	44	-1.0	-43.56	374.89	6.82	-36.74
CC1=NN=NN1C1=CC(F)=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692277	0	41	-1.0	-46.47	367.56	5.16	-41.31
CC1=NN=NN1C1=CC(F)=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692277	1	41	-1.0	-46.39	367.62	5.15	-41.24
CC1(C)CCC(=O)C2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019692278	0	48	-1.0	-48.22	390.84	7.45	-40.77
CC1(C)CCC(=O)C2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019692278	1	48	-1.0	-48.21	390.90	7.44	-40.77
CC1=CC(Cl)=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019692279	0	33	-1.0	-42.53	320.00	5.33	-37.20
CC1=CC(Cl)=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019692279	1	33	-1.0	-42.49	320.06	5.32	-37.17
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(=O)N(C2CC2)C1	REAL300019692280	0	44	-1.0	-46.15	362.60	4.70	-41.45
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(=O)N(C2CC2)C1	REAL300019692280	1	44	-1.0	-46.13	362.66	4.69	-41.44
O=C(CC1=CC=C(N2CCOCC2)C=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692281	0	49	-1.0	-45.25	400.98	4.54	-40.71
O=C(CC1=CC=C(N2CCOCC2)C=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692281	1	49	-1.0	-45.21	401.04	4.53	-40.68
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N#CC1=CN=C(Cl)C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692283	1	33	-1.0	-45.32	321.96	3.94	-41.38
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CCC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019692286	1	39	-1.0	-42.01	347.84	6.81	-35.20
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CC1=CN=C(N2CCOCC2)N=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692287	1	47	-1.0	-43.68	389.31	4.15	-39.53
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N#CC1=CC=C(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019692291	1	40	-1.0	-45.80	364.72	6.91	-38.89
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CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692294	1	41	-1.0	-45.40	354.59	7.05	-38.35
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COCCN1C=CC2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019692296	0	47	-1.0	-45.54	401.60	6.74	-38.80
COCCN1C=CC2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019692296	1	47	-1.0	-45.52	401.66	6.73	-38.79
CC(C)N1C=CC2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019692297	0	46	-1.0	-45.15	385.95	8.15	-37.00
CC(C)N1C=CC2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019692297	1	46	-1.0	-45.16	386.02	8.14	-37.02
O=C(C=CC1=CC=C2OCOC2=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692298	0	40	-1.0	-45.55	352.92	4.89	-40.66
O=C(C=CC1=CC=C2OCOC2=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692298	1	40	-1.0	-45.54	352.98	4.88	-40.66
CC1(C)COCCC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692299	0	43	-1.0	-41.43	336.78	3.89	-37.54
CC1(C)COCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692299	1	43	-1.0	-41.41	336.84	3.89	-37.52
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=NN=CN21	REAL300019692300	0	35	-1.0	-49.95	310.32	5.96	-43.99
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=NN=CN21	REAL300019692300	1	35	-1.0	-50.01	310.26	5.97	-44.04
C=CCOCC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)(C)C	REAL300019692301	0	49	-1.0	-40.48	389.28	6.55	-33.93
C=CCOCC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)(C)C	REAL300019692301	1	49	-1.0	-40.50	389.35	6.55	-33.95
CC12CCCN1S(=O)(=O)C(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300019692302	0	45	-1.0	-51.37	376.04	1.37	-50.00
CC12CCCN1S(=O)(=O)C(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300019692302	1	45	-1.0	-51.32	376.11	1.36	-49.96
CN1N=CC(C(F)F)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692303	0	36	-1.0	-46.45	332.60	3.57	-42.88
CN1N=CC(C(F)F)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692303	1	36	-1.0	-46.48	332.54	3.58	-42.90
CC1=NN(C2CCC2)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692304	0	43	-1.0	-42.69	362.11	5.54	-37.15
CC1=NN(C2CCC2)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692304	1	43	-1.0	-42.70	362.18	5.54	-37.16
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1CCC(F)(F)F	REAL300019692305	0	39	-1.0	-42.74	354.32	4.73	-38.01
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1CCC(F)(F)F	REAL300019692305	1	39	-1.0	-42.73	354.26	4.74	-37.99
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692306	0	44	-1.0	-44.47	388.78	6.97	-37.50
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692306	1	44	-1.0	-44.42	388.85	6.96	-37.46
CC1(C)CCCOC1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692307	0	46	-1.0	-43.36	360.67	5.43	-37.93
CC1(C)CCCOC1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692307	1	46	-1.0	-43.34	360.73	5.43	-37.91
CN1N=CC(Cl)=C1C1=NOC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692308	0	39	-1.0	-45.39	366.55	4.03	-41.36
CN1N=CC(Cl)=C1C1=NOC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692308	1	39	-1.0	-45.33	366.61	4.02	-41.31
O=C(C=CC1=CC=C(Cl)C=C1F)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692309	0	37	-1.0	-43.91	349.12	6.77	-37.14
O=C(C=CC1=CC=C(Cl)C=C1F)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692309	1	37	-1.0	-43.94	349.18	6.76	-37.18
CC(=O)NC(COC(C)C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692310	0	46	-1.0	-48.30	384.49	3.06	-45.24
CC(=O)NC(COC(C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692310	1	46	-1.0	-48.29	384.56	3.05	-45.24
CC1(C)OCC(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019692311	0	44	-1.0	-43.35	368.76	3.88	-39.47
CC1(C)OCC(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019692311	1	44	-1.0	-43.30	368.82	3.87	-39.43
CCCCOC1=CC=C(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019692312	0	50	-1.0	-43.30	421.15	8.03	-35.27
CCCCOC1=CC=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019692312	1	50	-1.0	-43.28	421.21	8.02	-35.26
COC1=CC2=CC=C(CC(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019692313	0	46	-1.0	-46.67	392.43	7.25	-39.42
COC1=CC2=CC=C(CC(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019692313	1	46	-1.0	-46.67	392.49	7.25	-39.42
CC(C)CC(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692314	0	51	-1.0	-41.24	409.92	9.34	-31.90
CC(C)CC(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692314	1	51	-1.0	-41.22	409.98	9.33	-31.89
COC1=NC=C(Cl)C(C)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692315	0	39	-1.0	-43.37	356.85	2.62	-40.75
COC1=NC=C(Cl)C(C)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692315	1	39	-1.0	-43.38	356.92	2.61	-40.77
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692316	0	43	-1.0	-54.41	384.76	4.32	-50.09
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692316	1	43	-1.0	-54.37	384.82	4.31	-50.06
CC12CCC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)OC2	REAL300019692317	0	44	-1.0	-41.43	351.04	4.52	-36.91
CC12CCC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)OC2	REAL300019692317	1	44	-1.0	-41.39	351.10	4.51	-36.88
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C=COC2=C1	REAL300019692318	0	36	-1.0	-45.27	319.51	5.37	-39.90
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C=COC2=C1	REAL300019692318	1	36	-1.0	-45.24	319.58	5.36	-39.88
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C(Br)C(F)=C1	REAL300019692319	1	33	-1.0	-41.44	325.08	5.72	-35.72
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300019692320	0	39	-1.0	-45.17	354.45	5.69	-39.48
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300019692320	1	39	-1.0	-45.12	354.51	5.68	-39.44
C#CC1=CC=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692321	0	35	-1.0	-44.64	319.60	6.21	-38.43
C#CC1=CC=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692321	1	35	-1.0	-44.68	319.66	6.21	-38.47
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=C(F)C2=CC=CC=C21	REAL300019692322	0	38	-1.0	-42.61	336.27	5.60	-37.01
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=C(F)C2=CC=CC=C21	REAL300019692322	1	38	-1.0	-42.63	336.21	5.61	-37.02
COC(=O)C1=CC=C(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019692323	0	42	-1.0	-47.24	377.49	5.06	-42.18
COC(=O)C1=CC=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019692323	1	42	-1.0	-47.22	377.55	5.05	-42.17
CC1=C(C)NC(=O)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692324	0	39	-1.0	-50.77	333.85	3.36	-47.41
CC1=C(C)NC(=O)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692324	1	39	-1.0	-50.78	333.92	3.36	-47.42
CCN1N=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019692325	0	39	-1.0	-45.80	339.93	4.17	-41.63
CCN1N=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300019692325	1	39	-1.0	-45.80	340.00	4.16	-41.64
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692326	0	42	-1.0	-44.17	373.19	7.26	-36.91
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692326	1	42	-1.0	-44.14	373.25	7.25	-36.89
CC(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(F)=C1	REAL300019692327	0	42	-1.0	-43.88	364.51	7.05	-36.83
CC(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(F)=C1	REAL300019692327	1	42	-1.0	-43.90	364.57	7.05	-36.85
CCCN1C=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692328	0	40	-1.0	-43.08	340.13	6.09	-36.99
CCCN1C=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692328	1	40	-1.0	-43.07	340.19	6.08	-36.99
CC(C)(C)N1C=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019692329	0	45	-1.0	-46.98	379.80	5.50	-41.48
CC(C)(C)N1C=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019692329	1	45	-1.0	-47.01	379.73	5.51	-41.50
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019692330	0	40	-1.0	-49.48	355.70	5.15	-44.33
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019692330	1	40	-1.0	-49.43	355.77	5.14	-44.29
CC1=CC=C(C2(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)CC2)C(F)=C1	REAL300019692331	0	43	-1.0	-43.37	371.56	7.62	-35.75
CC1=CC=C(C2(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)C(F)=C1	REAL300019692331	1	43	-1.0	-43.35	371.62	7.61	-35.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019692332	0	33	-2.0	-85.49	320.23	5.13	-80.36
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019692332	1	33	-2.0	-85.51	320.17	5.14	-80.37
CCCC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=NN1CC	REAL300019692333	0	44	-1.0	-45.95	374.78	4.21	-41.74
CCCC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=NN1CC	REAL300019692333	1	44	-1.0	-45.97	374.84	4.20	-41.77
CCC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)SC(C2=NNC=N2)=N1	REAL300019692334	0	41	-1.0	-48.94	374.70	4.35	-44.59
CCC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC(C2=NNC=N2)=N1	REAL300019692334	1	41	-1.0	-48.91	374.76	4.34	-44.57
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2N=CNC2=CC(Br)=C1	REAL300019692335	0	36	-1.0	-50.18	338.86	5.43	-44.75
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2N=CNC2=CC(Br)=C1	REAL300019692335	1	36	-1.0	-50.18	338.80	5.44	-44.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019692336	0	43	-1.0	-48.36	370.03	6.06	-42.30
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019692336	1	43	-1.0	-48.38	369.96	6.07	-42.31
CN(CC1=CC=CO1)C(=O)NCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692337	0	45	-1.0	-49.40	390.26	3.43	-45.97
CN(CC1=CC=CO1)C(=O)NCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692337	1	45	-1.0	-49.38	390.33	3.42	-45.96
CC1=NNC2=C1CC(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300019692338	0	43	-1.0	-45.12	357.07	4.38	-40.74
CC1=NNC2=C1CC(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300019692338	1	43	-1.0	-45.59	357.07	4.35	-41.24
CC1=C2CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)CCC2=NN1	REAL300019692338	1	43	-1.0	-45.12	357.07	4.38	-40.74
O=C(CC1=CC=C2NC(=O)CCC2=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692339	0	44	-1.0	-47.78	376.81	4.89	-42.89
O=C(CC1=CC=C2NC(=O)CCC2=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692339	1	44	-1.0	-47.75	376.87	4.88	-42.87
CSC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019692340	0	39	-1.0	-45.04	356.09	6.57	-38.47
CSC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019692340	1	39	-1.0	-44.97	356.15	6.56	-38.41
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692341	0	43	-1.0	-48.43	368.10	6.79	-41.64
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692341	1	43	-1.0	-48.40	368.16	6.78	-41.62
C=C1CCC1(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)OC	REAL300019692342	0	40	-1.0	-42.19	347.04	5.24	-36.95
C=C1CCC1(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)OC	REAL300019692342	1	40	-1.0	-42.19	347.10	5.23	-36.96
NS(=O)(=O)C1=COC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692343	0	35	-1.0	-49.76	333.02	-2.09	-51.85
NS(=O)(=O)C1=COC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692343	1	35	-1.0	-49.73	333.08	-2.10	-51.83
N#CC1=CC2=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=NN2C=C1	REAL300019692344	0	37	-1.0	-48.19	340.85	5.16	-43.03
N#CC1=CC2=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=NN2C=C1	REAL300019692344	1	37	-1.0	-48.18	340.79	5.16	-43.02
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019692345	0	43	-1.0	-47.20	378.18	6.12	-41.08
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019692345	1	43	-1.0	-47.18	378.24	6.11	-41.07
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692346	0	47	-1.0	-50.84	396.37	3.91	-46.93
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692346	1	47	-1.0	-50.81	396.43	3.90	-46.91
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019692347	0	37	-1.0	-45.09	347.71	4.47	-40.62
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019692347	1	37	-1.0	-45.05	347.78	4.46	-40.59
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2N=NC=C2C=C1	REAL300019692348	0	35	-1.0	-48.08	314.22	3.52	-44.56
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2N=NC=C2C=C1	REAL300019692348	1	35	-1.0	-48.10	314.15	3.53	-44.57
C[C@@H]1CC2=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)NN=C2[C@H](C)O1	REAL300019692349	0	44	-1.0	-43.16	369.04	3.02	-40.14
C[C@@H]1CC2=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)NN=C2[C@H](C)O1	REAL300019692349	1	44	-1.0	-43.11	369.10	3.01	-40.10
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CCO)N=N1	REAL300019692350	0	36	-1.0	-46.46	326.47	-1.16	-47.62
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CCO)N=N1	REAL300019692350	1	36	-1.0	-46.44	326.41	-1.15	-47.59
O=C(CCC1=C(Br)C=CS1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692351	0	36	-1.0	-42.18	348.05	6.14	-36.04
O=C(CCC1=C(Br)C=CS1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692351	1	36	-1.0	-42.17	348.12	6.13	-36.04
O=C(CCNC1=CN=CN=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692352	0	39	-1.0	-46.18	341.94	2.67	-43.51
O=C(CCNC1=CN=CN=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692352	1	39	-1.0	-46.22	341.88	2.68	-43.54
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019692353	0	54	-1.0	-46.50	427.71	7.93	-38.57
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019692353	1	54	-1.0	-46.44	427.77	7.93	-38.51
CC(C)OC1=CC=C(Cl)N=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692354	0	42	-1.0	-46.42	373.79	5.82	-40.60
CC(C)OC1=CC=C(Cl)N=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692354	1	42	-1.0	-46.42	373.72	5.82	-40.60
C=CCOC1=CC=C(Cl)N=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692355	0	40	-1.0	-46.69	368.76	5.79	-40.90
C=CCOC1=CC=C(Cl)N=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692355	1	40	-1.0	-46.73	368.69	5.80	-40.93
O=C(CC1CC2(CCC2)C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692356	0	43	-1.0	-41.94	353.74	6.63	-35.31
O=C(CC1CC2(CCC2)C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692356	1	43	-1.0	-41.94	353.80	6.62	-35.32
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC(F)(F)CC1	REAL300019692357	0	42	-1.0	-43.12	337.80	5.84	-37.28
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC(F)(F)CC1	REAL300019692357	1	42	-1.0	-43.12	337.87	5.83	-37.29
O=C(C[C@@H](O)C1=CC=CC=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692358	0	40	-1.0	-45.14	345.26	4.22	-40.92
O=C(C[C@@H](O)C1=CC=CC=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692358	1	40	-1.0	-45.10	345.32	4.21	-40.89
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(CF)=C1	REAL300019692359	0	32	-1.0	-44.57	299.57	3.25	-41.32
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(CF)=C1	REAL300019692359	1	32	-1.0	-44.58	299.63	3.24	-41.34
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019692360	0	41	-1.0	-52.59	365.01	6.50	-46.09
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019692360	1	41	-1.0	-52.60	365.07	6.49	-46.11
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019692361	0	40	-1.0	-44.65	353.82	7.26	-37.39
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019692361	1	40	-1.0	-44.63	353.88	7.25	-37.38
O=C(CCCCCC(=O)NC1=CC=CC=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692362	0	52	-1.0	-51.47	436.64	7.10	-44.37
O=C(CCCCCC(=O)NC1=CC=CC=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692362	1	52	-1.0	-51.54	436.70	7.10	-44.44
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=CC=NN2C1	REAL300019692363	0	40	-1.0	-45.60	337.77	4.28	-41.32
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=CC=NN2C1	REAL300019692363	1	40	-1.0	-45.56	337.83	4.27	-41.29
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=NSC2=CC=C1	REAL300019692364	0	35	-1.0	-45.06	320.05	5.06	-40.00
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=NSC2=CC=C1	REAL300019692364	1	35	-1.0	-45.05	319.99	5.06	-39.99
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=NON=C21	REAL300019692365	0	34	-1.0	-49.73	308.68	3.85	-45.88
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=NON=C21	REAL300019692365	1	34	-1.0	-49.74	308.61	3.86	-45.88
CN1C=C(OCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019692366	0	37	-1.0	-48.34	330.75	3.36	-44.98
CN1C=C(OCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019692366	1	37	-1.0	-48.36	330.68	3.37	-44.99
CS(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300019692367	0	39	-1.0	-50.65	365.52	3.08	-47.57
CS(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300019692367	1	39	-1.0	-50.63	365.58	3.07	-47.56
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC(C2CC2)=NO1	REAL300019692368	0	41	-1.0	-44.27	352.87	4.56	-39.71
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C2CC2)=NO1	REAL300019692368	1	41	-1.0	-44.24	352.93	4.55	-39.69
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL300019692369	0	49	-1.0	-44.87	419.49	2.91	-41.96
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL300019692369	1	49	-1.0	-44.83	419.55	2.90	-41.93
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300019692370	0	38	-1.0	-41.77	349.69	5.26	-36.51
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300019692370	1	38	-1.0	-41.75	349.75	5.25	-36.50
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019692371	0	40	-1.0	-44.84	352.07	6.80	-38.04
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019692371	1	40	-1.0	-44.82	352.13	6.79	-38.03
CN(C)C1=CC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019692372	0	47	-1.0	-44.42	389.75	7.67	-36.75
CN(C)C1=CC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019692372	1	47	-1.0	-44.44	389.81	7.66	-36.78
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CC2=NNN=C2)CCCC1	REAL300019692373	0	45	-1.0	-42.78	363.37	4.40	-38.38
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CC2=NNN=C2)CCCC1	REAL300019692373	1	45	-1.0	-42.78	363.43	4.39	-38.39
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692374	0	54	-1.0	-43.20	426.28	7.12	-36.08
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692374	1	54	-1.0	-43.20	426.22	7.13	-36.07
C#CC1=CC=C(C2CC2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019692375	0	42	-1.0	-44.28	372.13	8.25	-36.03
C#CC1=CC=C(C2CC2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019692375	1	42	-1.0	-44.27	372.19	8.24	-36.03
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C2C=N1	REAL300019692376	0	41	-1.0	-46.18	356.16	5.80	-40.38
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C2C=N1	REAL300019692376	1	41	-1.0	-46.15	356.23	5.80	-40.35
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCC2)CC1(F)F	REAL300019692377	0	40	-1.0	-42.60	336.28	6.26	-36.34
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCC2)CC1(F)F	REAL300019692377	1	40	-1.0	-42.56	336.34	6.25	-36.31
CN1N=CC2=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C(C3CC3)N=C21	REAL300019692378	0	45	-1.0	-44.27	384.02	6.13	-38.14
CN1N=CC2=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C(C3CC3)N=C21	REAL300019692378	1	45	-1.0	-44.24	384.09	6.12	-38.12
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019692379	0	43	-1.0	-42.28	365.28	6.39	-35.89
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019692379	1	43	-1.0	-42.29	365.34	6.38	-35.91
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692380	0	53	-1.0	-48.23	427.33	4.17	-44.06
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692380	1	53	-1.0	-48.24	427.40	4.17	-44.07
CC(C)[C@@H]1CCC[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692381	0	45	-1.0	-41.18	355.62	6.32	-34.86
CC(C)[C@@H]1CCC[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692381	1	45	-1.0	-41.14	355.69	6.32	-34.82
O=C(C=CC1=CC=NC=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692382	0	36	-1.0	-44.16	321.93	4.46	-39.70
O=C(C=CC1=CC=NC=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692382	1	36	-1.0	-44.16	321.99	4.45	-39.71
COC1=CC=C(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(OC)=C1OC	REAL300019692383	0	49	-1.0	-47.37	420.81	5.50	-41.87
COC1=CC=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(OC)=C1OC	REAL300019692383	1	49	-1.0	-47.30	420.88	5.50	-41.80
CC(C)(C)OC(=O)N1C=COCC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692384	0	49	-1.0	-47.09	400.31	4.89	-42.20
CC(C)(C)OC(=O)N1C=COCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692384	1	49	-1.0	-47.07	400.37	4.89	-42.18
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C(=O)NCCN2N=C1	REAL300019692385	0	38	-1.0	-53.51	331.43	1.74	-51.77
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C(=O)NCCN2N=C1	REAL300019692385	1	38	-1.0	-53.52	331.37	1.75	-51.77
CC=CC1=CC=C(OCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(OC)=C1	REAL300019692386	0	48	-1.0	-49.12	407.90	7.32	-41.80
CC=CC1=CC=C(OCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(OC)=C1	REAL300019692386	1	48	-1.0	-49.10	407.96	7.31	-41.79
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(=O)CC12CCC2	REAL300019692387	0	42	-1.0	-43.06	343.67	5.40	-37.66
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(=O)CC12CCC2	REAL300019692387	1	42	-1.0	-43.07	343.73	5.39	-37.68
CC1=CNC2=NC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019692388	0	39	-1.0	-46.46	340.62	4.96	-41.50
CC1=CNC2=NC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019692388	1	39	-1.0	-46.40	340.69	4.95	-41.45
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019692389	0	40	-1.0	-45.10	353.98	3.71	-41.39
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019692389	1	40	-1.0	-45.06	354.05	3.70	-41.36
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019692390	0	50	-1.0	-45.37	397.92	7.51	-37.86
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019692390	1	50	-1.0	-45.35	397.97	7.51	-37.84
CC1=NN=C(CC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)O1	REAL300019692391	0	44	-1.0	-49.24	387.25	2.41	-46.83
CC1=NN=C(CC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)O1	REAL300019692391	1	44	-1.0	-49.17	387.32	2.40	-46.77
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2=CC=CN=C2C1	REAL300019692392	0	39	-1.0	-44.91	334.15	4.99	-39.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2=CC=CN=C2C1	REAL300019692392	1	39	-1.0	-44.90	334.21	4.99	-39.91
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(C2CC2)=NO1	REAL300019692393	0	38	-1.0	-48.35	333.61	4.98	-43.37
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(C2CC2)=NO1	REAL300019692393	1	38	-1.0	-48.31	333.67	4.97	-43.34
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019692394	0	45	-1.0	-48.67	388.61	8.80	-39.87
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019692394	1	45	-1.0	-48.66	388.68	8.80	-39.86
CC1=CC2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C2C(F)=C1	REAL300019692395	0	41	-1.0	-46.72	361.31	6.13	-40.59
CC1=CC2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CN=C2C(F)=C1	REAL300019692395	1	41	-1.0	-46.80	361.24	6.14	-40.66
CN1C=C(C2=NC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CO2)C=N1	REAL300019692396	0	39	-1.0	-48.10	356.28	1.16	-46.94
CN1C=C(C2=NC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CO2)C=N1	REAL300019692396	1	39	-1.0	-48.16	356.22	1.17	-46.99
COC1=C2C=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)NC2=C(C)C=C1	REAL300019692397	0	44	-1.0	-45.09	376.81	4.90	-40.19
COC1=C2C=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)NC2=C(C)C=C1	REAL300019692397	1	44	-1.0	-45.07	376.87	4.89	-40.18
CCCCOC1=CC=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019692398	0	49	-1.0	-44.69	411.33	7.51	-37.18
CCCCOC1=CC=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019692398	1	49	-1.0	-44.67	411.39	7.50	-37.17
COC1=NC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019692399	0	42	-1.0	-44.90	365.63	3.90	-41.00
COC1=NC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019692399	1	42	-1.0	-44.92	365.57	3.91	-41.01
CC1=CN2C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C2S1	REAL300019692400	0	36	-1.0	-42.75	329.24	5.44	-37.31
CC1=CN2C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CN=C2S1	REAL300019692400	1	36	-1.0	-42.77	329.17	5.45	-37.32
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019692401	0	43	-1.0	-45.58	389.27	5.79	-39.79
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019692401	1	43	-1.0	-45.57	389.34	5.78	-39.79
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300019692402	0	30	-1.0	-40.51	317.52	5.12	-35.39
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300019692402	1	30	-1.0	-40.46	317.59	5.11	-35.35
CC(C)(C)C1=CC=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692403	0	44	-1.0	-43.00	366.43	5.64	-37.36
CC(C)(C)C1=CC=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692403	1	44	-1.0	-43.11	366.37	5.65	-37.46
CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC1	REAL300019692404	0	40	-1.0	-41.98	328.55	3.38	-38.60
CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL300019692404	1	40	-1.0	-41.95	328.61	3.37	-38.58
COC1CC2(C1)CCC(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300019692405	0	50	-1.0	-42.58	395.38	5.89	-36.69
COC1CC2(C1)CCC(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300019692405	1	50	-1.0	-42.47	395.45	5.88	-36.59
CCCC(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692406	0	51	-1.0	-43.03	418.53	9.13	-33.90
CCCC(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692406	1	51	-1.0	-43.00	418.59	9.12	-33.88
CCC(C)(C)C1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019692407	0	54	-1.0	-40.99	401.13	7.75	-33.24
CCC(C)(C)C1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019692407	1	54	-1.0	-40.94	401.19	7.74	-33.20
CC1=CC2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C2C=C1	REAL300019692408	0	41	-1.0	-44.77	355.08	6.05	-38.72
CC1=CC2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CN=C2C=C1	REAL300019692408	1	41	-1.0	-44.74	355.02	6.06	-38.68
CN1C=C(C2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=NO2)N=N1	REAL300019692409	0	38	-1.0	-48.57	349.91	2.62	-45.95
CN1C=C(C2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=NO2)N=N1	REAL300019692409	1	38	-1.0	-48.56	349.97	2.62	-45.94
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1COC2COCC21	REAL300019692410	0	39	-1.0	-42.98	324.92	1.37	-41.61
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1COC2COCC21	REAL300019692410	1	39	-1.0	-42.96	324.98	1.36	-41.60
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC(=O)C2)CC1	REAL300019692411	0	45	-1.0	-45.88	365.45	6.04	-39.84
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC(=O)C2)CC1	REAL300019692411	1	45	-1.0	-45.81	365.51	6.03	-39.78
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300019692412	0	40	-1.0	-48.33	348.30	4.77	-43.56
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300019692412	1	40	-1.0	-48.31	348.37	4.77	-43.54
CCC(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692413	0	48	-1.0	-42.48	393.45	8.53	-33.95
CCC(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692413	1	48	-1.0	-42.47	393.51	8.53	-33.94
COC1(C(F)(F)C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300019692414	0	43	-1.0	-41.09	351.78	5.41	-35.68
COC1(C(F)(F)C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300019692414	1	43	-1.0	-41.09	351.84	5.40	-35.69
O=C(CCC1=CC=C2CCOCC2=C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692415	0	47	-1.0	-43.81	392.08	6.60	-37.21
O=C(CCC1=CC=C2CCOCC2=C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692415	1	47	-1.0	-43.80	392.14	6.59	-37.21
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCC(F)(F)CC2	REAL300019692416	0	43	-1.0	-43.23	358.68	6.64	-36.59
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCC(F)(F)CC2	REAL300019692416	1	43	-1.0	-43.23	358.74	6.63	-36.60
CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1Br	REAL300019692417	0	35	-1.0	-43.88	329.31	4.36	-39.52
CC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1Br	REAL300019692417	1	35	-1.0	-43.93	329.25	4.37	-39.56
CN(C)C1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019692418	0	43	-1.0	-44.88	372.75	6.28	-38.60
CN(C)C1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019692418	1	43	-1.0	-44.86	372.81	6.27	-38.59
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019692419	0	37	-1.0	-46.69	340.43	4.86	-41.83
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019692419	1	37	-1.0	-46.70	340.36	4.86	-41.84
CC1CCOC1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692420	0	40	-1.0	-44.65	327.42	4.11	-40.54
CC1CCOC1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692420	1	40	-1.0	-44.62	327.48	4.10	-40.52
COC(=O)C1=CSC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692421	0	36	-1.0	-46.31	340.40	4.67	-41.64
COC(=O)C1=CSC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692421	1	36	-1.0	-46.28	340.46	4.66	-41.62
CC(C)(C)C1=CN=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692422	0	44	-1.0	-42.71	363.91	5.53	-37.18
CC(C)(C)C1=CN=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692422	1	44	-1.0	-42.70	363.84	5.54	-37.16
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019692423	0	41	-1.0	-42.63	381.95	7.14	-35.49
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019692423	1	41	-1.0	-42.63	382.02	7.13	-35.50
N#CC1=CC=C(C2=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)N=CO2)C=C1	REAL300019692424	0	40	-1.0	-46.25	368.60	3.80	-42.45
N#CC1=CC=C(C2=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)N=CO2)C=C1	REAL300019692424	1	40	-1.0	-46.23	368.53	3.80	-42.43
COC1CC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL300019692425	0	46	-1.0	-44.07	373.28	4.91	-39.16
COC1CC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL300019692425	1	46	-1.0	-44.04	373.35	4.90	-39.14
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019692426	0	43	-1.0	-44.57	383.78	6.97	-37.60
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019692426	1	43	-1.0	-44.56	383.84	6.96	-37.60
CC(C)(C)C1=CC=NC2=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=NN21	REAL300019692427	0	47	-1.0	-51.59	390.58	6.42	-45.17
CC(C)(C)C1=CC=NC2=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=NN21	REAL300019692427	1	47	-1.0	-51.67	390.52	6.43	-45.24
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCCN1C(=O)CCCC2	REAL300019692428	0	47	-1.0	-46.23	363.85	5.52	-40.71
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCCN1C(=O)CCCC2	REAL300019692428	1	47	-1.0	-46.17	363.91	5.52	-40.65
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019692429	0	43	-1.0	-42.87	378.58	7.59	-35.28
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019692429	1	43	-1.0	-42.87	378.64	7.58	-35.29
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC2(F)F)C1	REAL300019692430	0	40	-1.0	-44.68	345.67	6.09	-38.59
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC2(F)F)C1	REAL300019692430	1	40	-1.0	-44.68	345.73	6.08	-38.60
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2C1C2(F)F	REAL300019692431	0	40	-1.0	-41.78	334.36	5.98	-35.80
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2C1C2(F)F	REAL300019692431	1	40	-1.0	-41.73	334.42	5.97	-35.76
C=C1CC2(C1)CC(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300019692432	0	41	-1.0	-41.56	346.07	6.38	-35.18
C=C1CC2(C1)CC(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300019692432	1	41	-1.0	-41.57	346.14	6.37	-35.20
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692433	0	44	-1.0	-45.92	367.69	6.29	-39.63
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692433	1	44	-1.0	-45.93	367.76	6.28	-39.65
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692434	0	51	-1.0	-39.96	372.06	7.07	-32.89
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692434	1	51	-1.0	-39.89	372.12	7.06	-32.83
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL300019692435	0	51	-1.0	-44.79	421.91	4.48	-40.31
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL300019692435	1	51	-1.0	-44.76	421.97	4.47	-40.29
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(C(F)F)=NN1C	REAL300019692436	0	39	-1.0	-48.02	353.98	4.03	-43.99
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)F)=NN1C	REAL300019692436	1	39	-1.0	-47.97	354.04	4.02	-43.95
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692437	0	44	-1.0	-50.83	367.89	3.73	-47.10
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692437	1	44	-1.0	-50.84	367.96	3.72	-47.12
CCC1=CC=C(C(=O)C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019692438	0	38	-1.0	-42.13	347.85	5.48	-36.65
CCC1=CC=C(C(=O)C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019692438	1	38	-1.0	-42.12	347.91	5.47	-36.65
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692439	0	51	-1.0	-47.99	419.49	4.65	-43.34
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692439	1	51	-1.0	-47.98	419.56	4.64	-43.34
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692440	0	54	-1.0	-48.01	438.58	6.51	-41.50
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692440	1	54	-1.0	-47.99	438.63	6.51	-41.48
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2CCCC2)=NN1	REAL300019692441	0	43	-1.0	-42.52	358.71	4.57	-37.95
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2CCCC2)=NN1	REAL300019692441	1	43	-1.0	-42.52	358.77	4.56	-37.96
CC1(C)OC2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2NC1=O	REAL300019692442	0	45	-1.0	-45.55	382.68	3.58	-41.97
CC1(C)OC2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2NC1=O	REAL300019692442	1	45	-1.0	-45.54	382.74	3.57	-41.97
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300019692443	0	41	-1.0	-45.18	346.41	4.18	-41.00
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300019692443	1	41	-1.0	-45.10	346.47	4.17	-40.93
CN1N=CC2=NC(C(F)F)=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019692444	0	41	-1.0	-46.19	362.08	3.96	-42.23
CN1N=CC2=NC(C(F)F)=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019692444	1	41	-1.0	-46.17	362.14	3.96	-42.21
COC(=O)C1=CC=CC2=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C12	REAL300019692445	0	45	-1.0	-45.05	383.14	7.75	-37.30
COC(=O)C1=CC=CC2=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C12	REAL300019692445	1	45	-1.0	-45.06	383.21	7.74	-37.32
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC2=C1CCNC2=O	REAL300019692446	0	40	-1.0	-45.80	341.63	1.68	-44.12
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC2=C1CCNC2=O	REAL300019692446	1	40	-1.0	-45.76	341.69	1.67	-44.09
CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=NC=C1C(F)F	REAL300019692447	0	38	-1.0	-43.91	339.57	4.72	-39.19
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=NC=C1C(F)F	REAL300019692447	1	38	-1.0	-43.87	339.63	4.71	-39.16
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCCNC2=O)S1	REAL300019692448	0	41	-1.0	-48.58	361.90	3.28	-45.30
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCCNC2=O)S1	REAL300019692448	1	41	-1.0	-48.53	361.96	3.28	-45.25
CN(C)C(=O)C1=CN=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692449	0	42	-1.0	-49.33	359.11	2.98	-46.35
CN(C)C(=O)C1=CN=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692449	1	42	-1.0	-49.36	359.04	2.98	-46.38
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2C1C2(F)F	REAL300019692450	0	37	-1.0	-45.03	316.20	5.23	-39.80
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2C1C2(F)F	REAL300019692450	1	37	-1.0	-45.02	316.26	5.22	-39.80
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019692451	0	37	-1.0	-48.42	347.03	4.20	-44.22
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019692451	1	37	-1.0	-48.48	346.97	4.21	-44.27
CCOCC(NC(=O)OC(C)(C)C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692452	0	53	-1.0	-43.96	435.91	2.81	-41.15
CCOCC(NC(=O)OC(C)(C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692452	1	53	-1.0	-43.87	435.98	2.80	-41.07
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019692453	0	53	-1.0	-47.45	427.62	4.29	-43.16
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019692453	1	53	-1.0	-47.43	427.68	4.29	-43.14
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019692454	0	54	-1.0	-46.79	440.83	5.20	-41.59
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019692454	1	54	-1.0	-46.73	440.90	5.19	-41.54
COC1=CC=CC=C1OC(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692455	0	44	-1.0	-48.93	371.77	5.95	-42.98
COC1=CC=CC=C1OC(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692455	1	44	-1.0	-48.95	371.83	5.94	-43.01
CC1=C(Cl)C=NN1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692456	0	36	-1.0	-47.17	334.44	4.06	-43.11
CC1=C(Cl)C=NN1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692456	1	36	-1.0	-47.12	334.50	4.05	-43.07
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692457	0	47	-1.0	-50.83	396.37	3.92	-46.91
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692457	1	47	-1.0	-50.80	396.43	3.91	-46.89
CCC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N2C=C(C)SC2=N1	REAL300019692458	0	42	-1.0	-42.77	368.47	6.79	-35.98
CCC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N2C=C(C)SC2=N1	REAL300019692458	1	42	-1.0	-42.75	368.53	6.78	-35.97
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(C2CCCO2)O1	REAL300019692459	0	45	-1.0	-46.57	369.07	4.68	-41.89
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(C2CCCO2)O1	REAL300019692459	1	45	-1.0	-46.58	369.13	4.67	-41.91
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692460	0	54	-1.0	-48.95	426.33	7.02	-41.93
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692460	1	54	-1.0	-48.95	426.40	7.02	-41.93
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019692461	0	36	-1.0	-44.41	343.67	6.43	-37.98
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019692461	1	36	-1.0	-44.39	343.74	6.42	-37.97
CC1=CC(F)=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019692462	0	38	-1.0	-45.94	343.70	6.40	-39.54
CC1=CC(F)=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019692462	1	38	-1.0	-45.92	343.76	6.39	-39.53
CN1N=NC2=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C21	REAL300019692463	0	38	-1.0	-55.00	335.20	3.66	-51.34
CN1N=NC2=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C21	REAL300019692463	1	38	-1.0	-54.97	335.13	3.66	-51.31
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2OCCCC2=C1	REAL300019692464	0	40	-1.0	-46.00	341.17	2.52	-43.48
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2OCCCC2=C1	REAL300019692464	1	40	-1.0	-46.01	341.10	2.53	-43.48
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019692465	0	38	-1.0	-44.34	346.25	4.24	-40.10
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019692465	1	38	-1.0	-44.30	346.32	4.24	-40.06
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)CCC1=CC=CC=C1	REAL300019692466	0	42	-1.0	-41.16	370.12	7.41	-33.75
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)CCC1=CC=CC=C1	REAL300019692466	1	42	-1.0	-41.14	370.19	7.40	-33.74
CC1=CC2=C(C=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)S2)S1	REAL300019692467	0	36	-1.0	-42.38	343.47	6.31	-36.07
CC1=CC2=C(C=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)S2)S1	REAL300019692467	1	36	-1.0	-42.37	343.54	6.31	-36.06
O=C(CC12CCC(CC1)C2)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692468	0	43	-1.0	-41.78	340.52	6.27	-35.51
O=C(CC12CCC(CC1)C2)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692468	1	43	-1.0	-41.76	340.59	6.26	-35.50
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC=CC2=CC=CC=C21	REAL300019692469	0	41	-1.0	-44.17	347.96	7.25	-36.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC=CC2=CC=CC=C21	REAL300019692469	1	41	-1.0	-44.16	348.02	7.24	-36.92
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692470	0	44	-1.0	-51.00	388.52	1.23	-49.77
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692470	1	44	-1.0	-50.90	388.58	1.22	-49.68
CCCOCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692471	0	42	-1.0	-43.96	355.48	4.32	-39.64
CCCOCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692471	1	42	-1.0	-43.97	355.55	4.32	-39.65
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2C=NN=C2C=N1	REAL300019692472	0	34	-1.0	-46.34	310.52	4.57	-41.77
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2C=NN=C2C=N1	REAL300019692472	1	34	-1.0	-46.37	310.46	4.58	-41.79
CN1N=CC(C#N)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692473	0	34	-1.0	-46.39	319.51	2.89	-43.50
CN1N=CC(C#N)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692473	1	34	-1.0	-46.42	319.45	2.90	-43.52
CON(CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300019692474	0	50	-1.0	-44.91	415.90	5.09	-39.82
CON(CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300019692474	1	50	-1.0	-44.92	415.97	5.08	-39.84
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=NNN=C2C(Br)=C1	REAL300019692475	0	35	-1.0	-44.18	333.47	2.89	-41.29
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=NNN=C2C(Br)=C1	REAL300019692475	1	35	-1.0	-44.16	333.53	2.89	-41.27
CC(C)(C)OC(=O)NC1=NOC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692476	0	46	-1.0	-43.77	392.81	3.61	-40.16
CC(C)(C)OC(=O)NC1=NOC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692476	1	46	-1.0	-43.68	392.87	3.61	-40.07
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300019692477	0	38	-1.0	-44.78	328.22	5.36	-39.42
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300019692477	1	38	-1.0	-44.82	328.15	5.37	-39.45
COC(=O)C1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C(F)C=N1	REAL300019692478	0	38	-1.0	-45.56	347.96	3.95	-41.61
COC(=O)C1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C(F)C=N1	REAL300019692478	1	38	-1.0	-45.60	347.90	3.96	-41.64
CC1=CC2=C(OCC2)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019692479	0	41	-1.0	-46.78	348.69	6.44	-40.34
CC1=CC2=C(OCC2)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019692479	1	41	-1.0	-46.76	348.75	6.43	-40.33
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2SC=CC2=CN=C1	REAL300019692480	0	35	-1.0	-45.23	322.12	4.61	-40.62
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2SC=CC2=CN=C1	REAL300019692480	1	35	-1.0	-45.22	322.05	4.62	-40.60
CC(C)C(C)C(C)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692481	0	47	-1.0	-41.08	362.60	6.22	-34.86
CC(C)C(C)C(C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692481	1	47	-1.0	-41.03	362.67	6.21	-34.82
COC1CC2(C1)CC(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300019692482	0	44	-1.0	-42.40	365.98	4.82	-37.58
COC1CC2(C1)CC(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300019692482	1	44	-1.0	-42.43	366.05	4.81	-37.62
CC(C)OCC1=CC=CC=C1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692483	0	49	-1.0	-44.62	408.40	7.19	-37.43
CC(C)OCC1=CC=CC=C1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692483	1	49	-1.0	-44.62	408.46	7.18	-37.44
CC1(C)CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300019692484	0	43	-1.0	-41.92	343.94	4.04	-37.88
CC1(C)CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300019692484	1	43	-1.0	-41.89	344.01	4.03	-37.86
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019692485	0	40	-1.0	-42.97	373.56	7.84	-35.13
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019692485	1	40	-1.0	-42.94	373.62	7.83	-35.11
O=C(CC1CCCNC(=O)C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692486	0	43	-1.0	-52.59	349.22	2.55	-50.04
O=C(CC1CCCNC(=O)C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692486	1	43	-1.0	-52.59	349.28	2.55	-50.04
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1C(F)(F)F	REAL300019692487	0	36	-1.0	-41.56	317.80	4.96	-36.60
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1C(F)(F)F	REAL300019692487	1	36	-1.0	-41.51	317.86	4.95	-36.56
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC12CCC2	REAL300019692488	0	46	-1.0	-40.94	354.75	7.11	-33.83
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC12CCC2	REAL300019692488	1	46	-1.0	-40.95	354.81	7.11	-33.84
CC12CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(CO1)CCC2	REAL300019692489	0	44	-1.0	-42.07	349.50	4.29	-37.78
CC12CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(CO1)CCC2	REAL300019692489	1	44	-1.0	-42.04	349.57	4.29	-37.75
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCCC1C2(F)F	REAL300019692490	0	37	-1.0	-42.55	323.22	5.40	-37.15
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCCC1C2(F)F	REAL300019692490	1	37	-1.0	-42.52	323.28	5.39	-37.13
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019692491	0	49	-1.0	-42.03	391.35	8.59	-33.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019692491	1	49	-1.0	-41.96	391.41	8.58	-33.38
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2C=C(Br)C=CN12	REAL300019692492	0	36	-1.0	-44.13	339.18	5.94	-38.19
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2C=C(Br)C=CN12	REAL300019692492	1	36	-1.0	-44.10	339.12	5.95	-38.15
CN1C=NC2=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C21	REAL300019692493	0	39	-1.0	-52.67	340.29	6.50	-46.17
CN1C=NC2=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C21	REAL300019692493	1	39	-1.0	-52.68	340.23	6.51	-46.17
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCCCC1C2(F)F	REAL300019692494	0	40	-1.0	-42.16	333.37	5.85	-36.31
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCCCC1C2(F)F	REAL300019692494	1	40	-1.0	-42.14	333.44	5.84	-36.30
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=NN1C1CCCC1	REAL300019692495	0	43	-1.0	-42.58	379.82	6.06	-36.52
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=NN1C1CCCC1	REAL300019692495	1	43	-1.0	-42.59	379.75	6.07	-36.52
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CC2)C=CO1	REAL300019692496	0	37	-1.0	-43.71	324.26	5.18	-38.53
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CC2)C=CO1	REAL300019692496	1	37	-1.0	-43.61	324.32	5.17	-38.44
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=CC=N2)=NN1	REAL300019692497	0	39	-1.0	-46.52	350.46	3.35	-43.17
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=CC=N2)=NN1	REAL300019692497	1	39	-1.0	-46.48	350.52	3.35	-43.13
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019692498	0	43	-1.0	-53.75	380.34	1.38	-52.37
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019692498	1	43	-1.0	-53.78	380.28	1.39	-52.39
CC1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL300019692499	0	40	-1.0	-44.35	328.12	4.47	-39.88
CC1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL300019692499	1	40	-1.0	-44.32	328.18	4.46	-39.86
NC1=NC(Cl)=C(Cl)N=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692500	0	33	-1.0	-40.19	326.49	1.36	-38.83
NC1=NC(Cl)=C(Cl)N=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692500	1	33	-1.0	-40.21	326.43	1.37	-38.84
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC2=CC=CNC2=C1	REAL300019692501	0	36	-1.0	-58.59	322.31	3.17	-55.42
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC2=CC=CNC2=C1	REAL300019692501	1	36	-1.0	-58.54	322.37	3.16	-55.38
COC1=C(Cl)C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C2=NC=CC=C21	REAL300019692502	0	42	-1.0	-47.58	380.39	5.87	-41.71
COC1=C(Cl)C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C2=NC=CC=C21	REAL300019692502	1	42	-1.0	-47.62	380.33	5.88	-41.74
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692503	0	48	-1.0	-47.12	408.22	5.10	-42.02
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692503	1	48	-1.0	-47.10	408.16	5.11	-41.99
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2C3CC1C(=O)C32	REAL300019692504	0	37	-1.0	-48.65	318.56	4.79	-43.86
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2C3CC1C(=O)C32	REAL300019692504	1	37	-1.0	-48.63	318.63	4.78	-43.85
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN2N=NC=C12	REAL300019692505	0	35	-1.0	-50.60	312.95	3.49	-47.11
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN2N=NC=C12	REAL300019692505	1	35	-1.0	-50.56	312.89	3.50	-47.06
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697202	0	43	-1.0	-40.77	340.73	-0.82	-41.59
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697202	1	43	-1.0	-40.74	340.67	-0.84	-41.58
CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1Br	REAL300019697203	0	34	-1.0	-47.28	300.05	3.46	-43.82
CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1Br	REAL300019697203	1	34	-1.0	-47.26	300.11	3.48	-43.78
O=C(C1CCC2CCCCC2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697204	0	47	-1.0	-45.74	348.81	5.03	-40.71
O=C(C1CCC2CCCCC2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697204	1	47	-1.0	-45.74	348.87	5.06	-40.68
O=C(C1=CC=C(Cl)C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697205	0	31	-1.0	-44.58	284.37	2.85	-41.73
O=C(C1=CC=C(Cl)C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697205	1	31	-1.0	-44.58	284.43	2.87	-41.71
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697206	0	47	-1.0	-42.35	375.13	0.83	-41.52
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697206	1	47	-1.0	-42.42	375.19	0.85	-41.57
O=C(CCCC1=CC(F)=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697207	0	40	-1.0	-49.37	340.94	4.96	-44.41
O=C(CCCC1=CC(F)=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697207	1	40	-1.0	-49.35	341.00	4.98	-44.37
COC1=CC=C(CC(C)C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697208	0	44	-1.0	-46.21	352.02	3.66	-42.55
COC1=CC=C(CC(C)C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697208	1	44	-1.0	-46.22	352.08	3.69	-42.53
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697209	0	45	-1.0	-48.97	372.33	4.21	-44.76
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697209	1	45	-1.0	-48.92	372.39	4.24	-44.68
CC(C)(C)SCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697210	0	43	-1.0	-49.15	348.74	4.27	-44.88
CC(C)(C)SCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697210	1	43	-1.0	-49.16	348.80	4.30	-44.86
CC(C)CC1=CC=C(CCCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697211	0	52	-1.0	-48.30	410.29	7.56	-40.74
CC(C)CC1=CC=C(CCCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697211	1	52	-1.0	-48.29	410.35	7.59	-40.70
CC1=NOC(C)=C1C(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697212	0	42	-1.0	-46.26	332.52	3.10	-43.16
CC1=NOC(C)=C1C(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697212	1	42	-1.0	-46.22	332.58	3.12	-43.10
CC(C)(CCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300019697213	0	46	-1.0	-48.45	355.12	5.42	-43.03
CC(C)(CCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019697213	1	46	-1.0	-48.43	355.18	5.45	-42.98
COC1=CC=C(CCCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300019697214	0	48	-1.0	-51.31	386.89	3.53	-47.78
COC1=CC=C(CCCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300019697214	1	48	-1.0	-51.32	386.95	3.56	-47.76
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697215	0	40	-1.0	-53.59	343.88	0.68	-52.91
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697215	1	40	-1.0	-53.56	343.93	0.70	-52.86
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697216	0	39	-1.0	-43.80	329.71	-1.79	-45.59
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697216	1	39	-1.0	-43.80	329.77	-1.77	-45.57
CC1=NNC(C)=C1C(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697217	0	43	-1.0	-47.10	334.91	1.86	-45.24
CC1=NNC(C)=C1C(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697217	1	43	-1.0	-47.09	334.85	1.84	-45.25
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697218	0	41	-1.0	-44.98	330.08	3.04	-41.94
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697218	1	41	-1.0	-44.98	330.02	3.01	-41.97
O=C(C1CCCN(CC(F)(F)F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697219	0	42	-1.0	-45.07	338.22	1.43	-43.64
O=C(C1CCCN(CC(F)(F)F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697219	1	42	-1.0	-45.09	338.27	1.45	-43.64
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697220	0	37	-1.0	-59.12	313.23	2.15	-56.97
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697220	1	37	-1.0	-59.12	313.17	2.13	-56.99
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697221	0	43	-1.0	-47.05	348.29	2.34	-44.71
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697221	1	43	-1.0	-47.03	348.35	2.36	-44.67
CCC(C)N1N=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300019697222	0	47	-1.0	-45.53	365.68	3.97	-41.56
CCC(C)N1N=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300019697222	1	47	-1.0	-45.54	365.73	4.00	-41.54
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697223	0	44	-1.0	-44.21	383.08	3.82	-40.39
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697223	1	44	-1.0	-44.19	383.13	3.85	-40.34
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1C1CCCC1	REAL300019697224	0	44	-1.0	-45.85	347.94	3.40	-42.45
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1C1CCCC1	REAL300019697224	1	44	-1.0	-45.87	348.00	3.42	-42.45
CCC1=CSC(N2C=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=N2)=N1	REAL300019697225	0	40	-1.0	-48.69	349.66	2.93	-45.76
CCC1=CSC(N2C=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=N2)=N1	REAL300019697225	1	40	-1.0	-48.68	349.60	2.90	-45.78
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697226	0	37	-1.0	-63.58	316.40	4.14	-59.44
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697226	1	37	-1.0	-63.55	316.46	4.16	-59.39
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697227	0	57	-1.0	-48.81	415.57	3.95	-44.86
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697227	1	57	-1.0	-48.82	415.63	3.97	-44.85
O=C(C(C1=CC=CC=C1)C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697228	0	41	-1.0	-46.99	333.73	5.14	-41.85
O=C(C(C1=CC=CC=C1)C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697228	1	41	-1.0	-46.94	333.78	5.17	-41.77
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=C(F)C=CC=C1F	REAL300019697229	0	37	-1.0	-46.85	307.45	3.64	-43.21
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=C(F)C=CC=C1F	REAL300019697229	1	37	-1.0	-46.90	307.51	3.66	-43.24
CC(C)C(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019697230	0	43	-1.0	-46.92	344.69	4.81	-42.11
CC(C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019697230	1	43	-1.0	-46.90	344.75	4.84	-42.06
N#CCOC1=CC=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697231	0	39	-1.0	-53.88	336.91	3.28	-50.60
N#CCOC1=CC=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697231	1	39	-1.0	-53.87	336.96	3.31	-50.56
CC1=CC=C(C2=NC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CS2)N1C	REAL300019697232	0	41	-1.0	-47.91	347.84	3.56	-44.35
CC1=CC=C(C2=NC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CS2)N1C	REAL300019697232	1	41	-1.0	-47.84	347.78	3.53	-44.31
CN1C(=O)CCC2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019697233	0	42	-1.0	-48.29	337.41	3.13	-45.16
CN1C(=O)CCC2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019697233	1	42	-1.0	-48.29	337.46	3.16	-45.13
CC1=C(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1C	REAL300019697234	0	40	-1.0	-48.88	328.16	2.28	-46.60
CC1=C(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1C	REAL300019697234	1	40	-1.0	-48.89	328.22	2.30	-46.59
COC1CCC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019697235	0	44	-1.0	-46.48	336.40	2.70	-43.78
COC1CCC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019697235	1	44	-1.0	-46.47	336.46	2.72	-43.75
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1CCOC1CCCCO1	REAL300019697236	0	52	-1.0	-47.22	412.85	2.73	-44.49
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1CCOC1CCCCO1	REAL300019697236	1	52	-1.0	-47.23	412.90	2.76	-44.47
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697237	0	36	-1.0	-44.68	308.43	2.70	-41.98
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697237	1	36	-1.0	-44.68	308.38	2.68	-42.00
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697238	0	37	-1.0	-50.69	322.71	0.23	-50.46
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697238	1	37	-1.0	-50.69	322.65	0.22	-50.47
O=C(CCC1=CC(Br)=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697239	0	37	-1.0	-45.88	334.37	4.74	-41.14
O=C(CCC1=CC(Br)=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697239	1	37	-1.0	-45.85	334.42	4.76	-41.09
CCC(CC)N1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C	REAL300019697240	0	46	-1.0	-47.91	364.85	4.15	-43.76
CCC(CC)N1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C	REAL300019697240	1	46	-1.0	-47.90	364.91	4.17	-43.73
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NN1C1CCCCC1	REAL300019697241	0	47	-1.0	-47.50	367.44	4.57	-42.93
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NN1C1CCCCC1	REAL300019697241	1	47	-1.0	-47.43	367.50	4.59	-42.84
CC(CC1=CC=CC=C1Cl)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697242	0	40	-1.0	-47.09	329.31	4.62	-42.47
CC(CC1=CC=CC=C1Cl)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697242	1	40	-1.0	-47.05	329.37	4.65	-42.40
CC1=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1C	REAL300019697243	0	38	-1.0	-50.11	316.77	2.05	-48.06
CC1=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1C	REAL300019697243	1	38	-1.0	-50.10	316.83	2.08	-48.02
O=C(CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300019697244	0	42	-1.0	-55.14	381.18	5.66	-49.48
O=C(CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300019697244	1	42	-1.0	-55.12	381.24	5.68	-49.44
O=C(C1=CC=CN=C1OCC(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697245	0	37	-1.0	-56.44	322.85	0.96	-55.48
O=C(C1=CC=CN=C1OCC(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697245	1	37	-1.0	-56.41	322.79	0.93	-55.48
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697246	0	42	-1.0	-54.96	355.69	3.91	-51.05
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697246	1	42	-1.0	-54.96	355.74	3.94	-51.02
O=C(N1CCOC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC=C1F	REAL300019697247	0	34	-1.0	-44.34	297.70	3.23	-41.11
O=C(N1CCOC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC=C1F	REAL300019697247	1	34	-1.0	-44.33	297.76	3.26	-41.07
COCC1=NC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019697248	0	37	-1.0	-40.80	320.77	-0.18	-40.98
COCC1=NC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019697248	1	37	-1.0	-40.81	320.83	-0.16	-40.97
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)NC(C2=CC(C)=CC=C2)=N1	REAL300019697249	0	44	-1.0	-44.43	368.01	4.04	-40.39
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)NC(C2=CC(C)=CC=C2)=N1	REAL300019697249	1	44	-1.0	-44.46	368.07	4.05	-40.41
CC(C)(C)S(=O)(=O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697250	0	39	-1.0	-62.21	322.98	-0.67	-62.88
CC(C)(C)S(=O)(=O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697250	1	39	-1.0	-62.21	323.04	-0.64	-62.85
COC1=CC=CC=C1SCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697251	0	39	-1.0	-51.53	333.41	3.13	-48.40
COC1=CC=CC=C1SCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697251	1	39	-1.0	-51.54	333.47	3.15	-48.39
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697252	0	40	-1.0	-44.93	339.98	4.94	-39.99
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697252	1	40	-1.0	-44.93	340.03	4.96	-39.97
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697253	0	37	-1.0	-47.03	322.64	0.24	-46.79
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697253	1	37	-1.0	-47.03	322.59	0.21	-46.82
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1C1=CC=NC=C1	REAL300019697254	0	40	-1.0	-46.08	332.85	2.05	-44.03
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1C1=CC=NC=C1	REAL300019697254	1	40	-1.0	-46.05	332.91	2.07	-43.98
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697255	0	41	-1.0	-48.63	347.82	4.51	-44.12
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697255	1	41	-1.0	-48.66	347.88	4.53	-44.13
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697256	0	43	-1.0	-51.40	366.21	3.26	-48.14
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697256	1	43	-1.0	-51.37	366.26	3.28	-48.09
CCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019697257	0	40	-1.0	-36.77	327.02	4.41	-32.36
CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019697257	1	40	-1.0	-36.76	327.08	4.44	-32.32
CC1=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300019697258	0	40	-1.0	-51.75	333.60	4.39	-47.36
CC1=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300019697258	1	40	-1.0	-51.78	333.66	4.42	-47.36
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697259	0	43	-1.0	-59.06	368.40	1.69	-57.37
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697259	1	43	-1.0	-59.04	368.46	1.72	-57.32
CCSC1=CC(Cl)=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697260	0	38	-1.0	-46.29	339.27	4.63	-41.66
CCSC1=CC(Cl)=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697260	1	38	-1.0	-46.26	339.33	4.65	-41.61
CCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCC(C)CC1	REAL300019697261	0	49	-1.0	-46.69	355.40	4.84	-41.85
CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCC(C)CC1	REAL300019697261	1	49	-1.0	-46.67	355.46	4.87	-41.80
CC(C)CN1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC1=O	REAL300019697262	0	44	-1.0	-42.73	351.42	2.42	-40.31
CC(C)CN1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1=O	REAL300019697262	1	44	-1.0	-42.74	351.48	2.44	-40.30
O=C(CCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C2NC(=O)CCC2=C1	REAL300019697263	0	47	-1.0	-49.07	387.44	3.09	-45.98
O=C(CCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C2NC(=O)CCC2=C1	REAL300019697263	1	47	-1.0	-49.08	387.49	3.11	-45.97
CC1=CC(C)=C(Br)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697264	0	37	-1.0	-46.54	321.45	4.11	-42.43
CC1=CC(C)=C(Br)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697264	1	37	-1.0	-46.52	321.51	4.13	-42.39
COCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300019697265	0	45	-1.0	-48.28	369.61	3.05	-45.23
COCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300019697265	1	45	-1.0	-48.29	369.67	3.07	-45.22
CNC1=NN=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019697266	0	34	-1.0	-53.29	304.00	-0.48	-53.77
CNC1=NN=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019697266	1	34	-1.0	-53.32	304.06	-0.45	-53.77
CCC1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL300019697267	0	38	-1.0	-41.50	321.02	3.55	-37.95
CCC1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019697267	1	38	-1.0	-41.54	321.08	3.57	-37.97
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697268	0	38	-1.0	-47.93	332.59	4.78	-43.15
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697268	1	38	-1.0	-47.91	332.65	4.80	-43.11
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697269	0	35	-1.0	-47.22	313.99	3.98	-43.24
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697269	1	35	-1.0	-47.20	314.05	4.00	-43.20
COC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1Cl	REAL300019697270	0	34	-1.0	-46.21	301.51	1.12	-45.09
COC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1Cl	REAL300019697270	1	34	-1.0	-46.20	301.46	1.10	-45.10
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019697271	0	42	-1.0	-42.85	332.62	4.63	-38.22
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019697271	1	42	-1.0	-42.85	332.68	4.66	-38.19
CC(C)C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019697272	0	37	-1.0	-38.98	314.31	3.40	-35.58
CC(C)C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019697272	1	37	-1.0	-38.96	314.37	3.43	-35.53
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697273	0	45	-1.0	-49.83	370.31	5.70	-44.13
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697273	1	45	-1.0	-49.82	370.37	5.73	-44.09
O=C(C1=C(F)C=CC=C1SC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697274	0	42	-1.0	-50.16	367.28	6.36	-43.80
O=C(C1=C(F)C=CC=C1SC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697274	1	42	-1.0	-50.19	367.34	6.38	-43.81
COC1=CC=CC=C1C(=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697275	0	37	-1.0	-47.02	315.56	2.82	-44.20
COC1=CC=CC=C1C(=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697275	1	37	-1.0	-46.99	315.62	2.84	-44.15
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697276	0	38	-1.0	-45.01	329.89	4.09	-40.92
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697276	1	38	-1.0	-44.96	329.84	4.07	-40.89
CC1=NC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300019697277	0	38	-1.0	-42.56	317.04	1.40	-41.16
CC1=NC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300019697277	1	38	-1.0	-42.51	317.09	1.43	-41.08
NC(=O)C1=NC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697278	0	34	-1.0	-57.23	290.73	-1.15	-58.38
NC(=O)C1=NC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697278	1	34	-1.0	-57.23	290.67	-1.17	-58.40
CN(C)C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL300019697279	0	38	-1.0	-43.90	307.33	1.74	-42.16
CN(C)C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL300019697279	1	38	-1.0	-43.88	307.28	1.72	-42.16
CN1CCN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1=O	REAL300019697280	0	40	-1.0	-55.09	314.00	-1.68	-56.77
CN1CCN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1=O	REAL300019697280	1	40	-1.0	-55.10	314.06	-1.65	-56.75
C[NH+](C)CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCC1	REAL300019697281	0	49	0.0	-68.78	336.32	4.39	-64.39
C[NH+](C)CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCC1	REAL300019697281	1	49	0.0	-68.76	336.38	4.42	-64.34
O=C(C1=C2SC=CC2=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697282	0	34	-1.0	-41.55	298.57	3.63	-37.92
O=C(C1=C2SC=CC2=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697282	1	34	-1.0	-41.56	298.63	3.65	-37.91
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697283	0	34	-1.0	-42.00	298.58	0.16	-41.84
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697283	1	34	-1.0	-41.96	298.52	0.15	-41.81
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1(C)C	REAL300019697284	0	45	-1.0	-46.26	349.19	3.89	-42.37
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1(C)C	REAL300019697284	1	45	-1.0	-46.31	349.25	3.91	-42.40
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697285	0	40	-1.0	-48.71	358.94	2.45	-46.26
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697285	1	40	-1.0	-48.71	358.89	2.43	-46.28
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697286	0	41	-1.0	-49.28	360.33	3.79	-45.49
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697286	1	41	-1.0	-49.32	360.39	3.82	-45.50
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300019697287	0	47	-1.0	-50.83	388.83	3.73	-47.10
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300019697287	1	47	-1.0	-50.83	388.89	3.74	-47.09
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300019697287	1	48	0.0	-71.86	391.96	4.18	-67.68
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697288	0	36	-2.0	-83.26	331.55	-1.56	-84.82
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697288	1	36	-2.0	-83.32	331.61	-1.53	-84.85
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697289	0	35	-2.0	-84.74	308.50	0.12	-84.62
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697289	1	35	-2.0	-84.70	308.56	0.14	-84.56
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697290	0	31	-2.0	-82.90	290.47	0.79	-82.11
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697290	1	31	-2.0	-82.86	290.53	0.82	-82.04
C[N@H+](CCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300019697291	0	49	0.0	-70.84	360.19	4.64	-66.20
C[N@@H+](CCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300019697291	1	49	0.0	-70.83	360.18	4.62	-66.21
C[N@H+](CCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300019697291	1	49	0.0	-70.83	360.25	4.67	-66.16
C[N@@H+](CCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300019697291	1	49	0.0	-70.83	360.23	4.64	-66.19
CCC1CCCCC1OCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697292	0	47	-1.0	-49.73	358.78	4.70	-45.03
CCC1CCCCC1OCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697292	1	47	-1.0	-49.72	358.83	4.73	-44.99
COC1=CC=C(C(=O)C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300019697293	0	37	-1.0	-42.69	333.60	2.10	-40.59
COC1=CC=C(C(=O)C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300019697293	1	37	-1.0	-42.63	333.65	2.12	-40.51
CN1C=C(N2C=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=CC2=O)C=N1	REAL300019697294	0	41	-1.0	-47.66	346.42	2.24	-45.42
CN1C=C(N2C=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=CC2=O)C=N1	REAL300019697294	1	41	-1.0	-47.64	346.36	2.21	-45.43
CC1=NN(CC(F)F)C(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697295	0	40	-1.0	-45.57	342.05	2.35	-43.22
CC1=NN(CC(F)F)C(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697295	1	40	-1.0	-45.49	342.11	2.37	-43.12
O=C(CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C2OCCOC2=C1	REAL300019697296	0	48	-1.0	-62.21	393.75	3.86	-58.35
O=C(CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300019697296	1	48	-1.0	-62.24	393.81	3.89	-58.35
C=CCOC1=CC(OC)=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697297	0	43	-1.0	-50.54	354.19	2.94	-47.60
C=CCOC1=CC(OC)=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697297	1	43	-1.0	-50.56	354.25	2.97	-47.59
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=N1	REAL300019697298	0	50	-1.0	-46.63	403.65	0.83	-45.80
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=N1	REAL300019697298	1	50	-1.0	-46.63	403.70	0.85	-45.78
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697299	0	41	-1.0	-48.59	355.14	3.61	-44.98
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697299	1	41	-1.0	-48.60	355.20	3.63	-44.97
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697300	0	45	-1.0	-46.39	389.44	4.65	-41.74
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697300	1	45	-1.0	-46.33	389.50	4.67	-41.66
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697301	0	42	-1.0	-48.16	344.46	-0.48	-48.64
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697301	1	42	-1.0	-48.13	344.40	-0.51	-48.64
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697302	0	43	-1.0	-49.61	367.82	5.87	-43.74
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697302	1	43	-1.0	-49.61	367.88	5.89	-43.72
CN1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300019697303	0	35	-1.0	-45.01	306.13	-0.47	-45.48
CN1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300019697303	1	35	-1.0	-44.97	306.07	-0.49	-45.46
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697304	0	51	-1.0	-54.87	393.10	6.40	-48.47
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697304	1	51	-1.0	-54.88	393.16	6.43	-48.45
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)NN=C1C1=CC=CC=C1	REAL300019697305	0	41	-1.0	-43.69	344.16	2.93	-40.76
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)NN=C1C1=CC=CC=C1	REAL300019697305	1	41	-1.0	-43.67	344.22	2.95	-40.72
N#CC1=CC=C(C(=O)NCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697306	0	39	-1.0	-46.76	341.33	1.42	-45.34
N#CC1=CC=C(C(=O)NCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697306	1	39	-1.0	-46.75	341.39	1.44	-45.31
O=C(C1=C2C=CC=NN2N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697307	0	33	-1.0	-51.33	285.20	0.33	-51.00
O=C(C1=C2C=CC=NN2N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697307	1	33	-1.0	-51.28	285.14	0.31	-50.97
CC1=CC(C)=NC(=O)N1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697308	0	39	-1.0	-62.66	323.97	0.71	-61.95
CC1=CC(C)=NC(=O)N1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697308	1	39	-1.0	-62.64	324.03	0.73	-61.91
CC1=C(Br)C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300019697309	0	34	-1.0	-46.60	309.45	0.44	-46.16
CC1=C(Br)C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300019697309	1	34	-1.0	-46.60	309.51	0.47	-46.13
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697310	0	39	-2.0	-86.59	333.78	-1.01	-87.60
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697310	1	39	-2.0	-86.59	333.84	-0.98	-87.57
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697311	0	45	-1.0	-51.92	383.84	0.29	-51.63
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697311	1	45	-1.0	-51.90	383.90	0.32	-51.58
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)OC(C2CC2)=N1	REAL300019697312	0	37	-1.0	-43.01	309.16	0.45	-42.56
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)OC(C2CC2)=N1	REAL300019697312	1	37	-1.0	-42.99	309.22	0.47	-42.52
O=C(C1=CC(Cl)=CC=C1SC1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697313	0	45	-1.0	-46.54	379.52	6.44	-40.10
O=C(C1=CC(Cl)=CC=C1SC1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697313	1	45	-1.0	-46.54	379.58	6.46	-40.08
O=C(CC1=CC=C2COCC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697314	0	39	-1.0	-48.71	322.16	2.59	-46.12
O=C(CC1=CC=C2COCC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697314	1	39	-1.0	-48.73	322.22	2.61	-46.12
O=C(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019697315	0	33	-1.0	-39.57	285.63	2.30	-37.27
O=C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019697315	1	33	-1.0	-39.61	285.69	2.32	-37.29
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697316	0	42	-1.0	-52.31	362.80	-0.55	-52.86
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697316	1	42	-1.0	-52.29	362.86	-0.53	-52.82
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697317	0	38	-1.0	-45.29	344.32	5.08	-40.21
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697317	1	38	-1.0	-45.30	344.38	5.10	-40.20
CC1=NC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1C	REAL300019697318	0	38	-1.0	-46.04	313.50	0.44	-45.60
CC1=NC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1C	REAL300019697318	1	38	-1.0	-46.07	313.56	0.47	-45.60
CC1=CC(Br)=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697319	0	34	-1.0	-45.15	303.49	3.50	-41.65
CC1=CC(Br)=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697319	1	34	-1.0	-45.14	303.55	3.53	-41.61
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019697320	0	39	-1.0	-45.50	332.22	4.30	-41.20
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019697320	1	39	-1.0	-45.48	332.28	4.33	-41.15
CN1N=NC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C21	REAL300019697321	0	36	-1.0	-47.11	302.82	0.78	-46.33
CN1N=NC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C21	REAL300019697321	1	36	-1.0	-47.12	302.77	0.76	-46.36
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697322	0	41	-1.0	-53.04	340.40	4.94	-48.10
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697322	1	41	-1.0	-53.10	340.34	4.92	-48.18
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697323	0	42	-1.0	-43.76	359.52	4.88	-38.88
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697323	1	42	-1.0	-43.75	359.58	4.90	-38.85
COC1=CC=C(C2(C(=O)N3CCOC(C4=N[N-]N=N4)C3)CCC2)C=C1OC	REAL300019697324	0	49	-1.0	-51.07	379.92	3.63	-47.44
COC1=CC=C(C2(C(=O)N3CCOC(C4=NN=N[N-]4)C3)CCC2)C=C1OC	REAL300019697324	1	49	-1.0	-51.07	379.97	3.65	-47.42
CC1(C)CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCO1	REAL300019697325	0	44	-1.0	-46.57	331.78	2.32	-44.25
CC1(C)CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCO1	REAL300019697325	1	44	-1.0	-46.55	331.84	2.34	-44.21
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697326	0	39	-1.0	-49.56	338.78	3.64	-45.92
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697326	1	39	-1.0	-49.53	338.83	3.66	-45.87
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697327	0	44	-1.0	-40.64	380.96	6.16	-34.48
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697327	1	44	-1.0	-40.63	381.02	6.18	-34.45
CCC(CC)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C(OC)C(OC)=C1	REAL300019697328	0	54	-1.0	-51.68	396.32	3.77	-47.91
CCC(CC)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(OC)C(OC)=C1	REAL300019697328	1	54	-1.0	-51.65	396.38	3.80	-47.85
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697329	0	52	-1.0	-55.41	400.99	5.04	-50.37
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697329	1	52	-1.0	-55.42	401.05	5.06	-50.36
CC1CCN(C(=O)C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019697330	0	41	-1.0	-41.90	317.93	1.37	-40.53
CC1CCN(C(=O)C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019697330	1	41	-1.0	-41.88	317.99	1.40	-40.48
CC1CCCN(C(=O)C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019697331	0	41	-1.0	-44.99	326.43	1.46	-43.53
CC1CCCN(C(=O)C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019697331	1	41	-1.0	-45.01	326.49	1.48	-43.53
O=C(C1=COC(C2CCOCC2)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697332	0	41	-1.0	-41.94	334.09	-0.31	-42.25
O=C(C1=COC(C2CCOCC2)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697332	1	41	-1.0	-41.94	334.14	-0.29	-42.23
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697333	0	42	-2.0	-103.58	363.87	-0.93	-104.51
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697333	1	42	-2.0	-103.55	363.92	-0.90	-104.45
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697333	1	43	-1.0	-49.71	367.65	-2.16	-51.87
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697333	1	43	-1.0	-49.73	367.71	-2.14	-51.87
CNC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300019697334	0	38	-1.0	-47.24	318.43	2.05	-45.19
CNC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300019697334	1	38	-1.0	-47.21	318.49	2.06	-45.15
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697335	0	44	-1.0	-39.79	354.83	2.05	-37.74
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697335	1	44	-1.0	-39.81	354.77	2.02	-37.79
CC(C)(C)OC(=O)NCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019697336	0	48	-1.0	-47.55	380.72	1.19	-46.36
CC(C)(C)OC(=O)NCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019697336	1	48	-1.0	-47.55	380.78	1.22	-46.33
NC(=O)C1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019697337	0	34	-1.0	-45.92	290.82	-1.79	-47.71
NC(=O)C1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL300019697337	1	34	-1.0	-45.87	290.76	-1.81	-47.68
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697338	0	42	-1.0	-50.92	366.61	6.39	-44.53
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697338	1	42	-1.0	-50.93	366.67	6.42	-44.51
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697339	0	54	-1.0	-41.35	383.81	3.87	-37.48
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697339	1	54	-1.0	-41.32	383.87	3.89	-37.43
O=C(C1=C(C2CCCC2)N=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697340	0	40	-1.0	-45.39	330.10	2.68	-42.71
O=C(C1=C(C2CCCC2)N=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697340	1	40	-1.0	-45.44	330.15	2.70	-42.74
COC1=CC=C(C(=O)CCCCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697341	0	49	-1.0	-50.05	400.11	4.80	-45.25
COC1=CC=C(C(=O)CCCCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697341	1	49	-1.0	-50.03	400.17	4.82	-45.21
CC1=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)O1	REAL300019697342	0	40	-1.0	-47.86	343.58	1.67	-46.19
CC1=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)O1	REAL300019697342	1	40	-1.0	-47.84	343.64	1.68	-46.16
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697343	0	47	-1.0	-55.34	391.47	4.90	-50.44
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697343	1	47	-1.0	-55.35	391.52	4.92	-50.43
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019697344	0	46	-1.0	-52.31	385.74	2.29	-50.02
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019697344	1	46	-1.0	-52.34	385.80	2.32	-50.02
CC1=CC(Cl)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C	REAL300019697345	0	37	-1.0	-47.00	314.43	3.93	-43.07
CC1=CC(Cl)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C	REAL300019697345	1	37	-1.0	-47.01	314.49	3.95	-43.06
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697346	0	36	-1.0	-45.30	310.65	3.02	-42.28
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697346	1	36	-1.0	-45.31	310.71	3.05	-42.26
CC(C)C1CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CCO1	REAL300019697347	0	47	-1.0	-46.44	356.02	3.29	-43.15
CC(C)C1CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CCO1	REAL300019697347	1	47	-1.0	-46.42	356.08	3.31	-43.11
CC1=C(C(=O)NCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CO1	REAL300019697348	0	38	-1.0	-46.22	322.21	-0.19	-46.41
CC1=C(C(=O)NCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CO1	REAL300019697348	1	38	-1.0	-46.25	322.27	-0.16	-46.41
O=C(CSC1=NN=C2C=CC=CN21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697349	0	37	-1.0	-51.71	330.07	4.31	-47.40
O=C(CSC1=NN=C2C=CC=CN21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697349	1	37	-1.0	-51.75	330.02	4.28	-47.47
CC1=CC=C(C2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)S2)O1	REAL300019697350	0	38	-1.0	-40.97	336.08	4.01	-36.96
CC1=CC=C(C2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)S2)O1	REAL300019697350	1	38	-1.0	-40.95	336.14	4.02	-36.93
CCC1=NN=C(C)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697351	0	38	-1.0	-44.43	312.62	1.36	-43.07
CCC1=NN=C(C)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697351	1	38	-1.0	-44.45	312.68	1.39	-43.06
CCC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)N=N1	REAL300019697352	0	38	-1.0	-43.78	313.01	1.39	-42.39
CCC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)N=N1	REAL300019697352	1	38	-1.0	-43.82	313.07	1.42	-42.40
NC(=O)N=NC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699202	0	37	-1.0	-49.88	322.88	-2.58	-52.46
NC(=O)N=NC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699202	1	37	-1.0	-49.88	322.93	-2.55	-52.43
O=C(C1=CNC(=S)N1C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699203	0	36	-1.0	-47.94	311.45	3.38	-44.56
O=C(C1=CNC(=S)N1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699203	1	36	-1.0	-47.92	311.51	3.40	-44.52
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699204	0	41	-1.0	-44.84	347.40	2.04	-42.80
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699204	1	41	-1.0	-44.81	347.46	2.06	-42.75
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699205	0	36	-1.0	-46.13	313.80	0.20	-45.93
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699205	1	36	-1.0	-46.13	313.75	0.17	-45.96
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699206	0	41	-1.0	-50.09	361.72	2.57	-47.52
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699206	1	41	-1.0	-50.11	361.78	2.59	-47.52
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699207	0	50	-1.0	-54.87	402.49	5.16	-49.71
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699207	1	50	-1.0	-54.87	402.55	5.18	-49.69
COCCCN1N=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300019699208	0	43	-1.0	-45.35	358.13	0.62	-44.73
COCCCN1N=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300019699208	1	43	-1.0	-45.37	358.19	0.65	-44.72
CC(C)(C)N1C=C(Br)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019699209	0	40	-1.0	-47.38	343.24	3.31	-44.07
CC(C)(C)N1C=C(Br)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL300019699209	1	40	-1.0	-47.37	343.18	3.28	-44.09
O=C(C1=C2C=CSC2=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699210	0	32	-1.0	-41.38	284.13	2.43	-38.95
O=C(C1=C2C=CSC2=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699210	1	32	-1.0	-41.38	284.07	2.41	-38.97
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699211	0	48	-1.0	-41.33	348.26	3.55	-37.78
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699211	1	48	-1.0	-41.34	348.32	3.58	-37.76
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699212	0	33	-1.0	-54.88	288.15	-0.24	-55.12
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699212	1	33	-1.0	-54.84	288.09	-0.27	-55.11
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699213	0	59	-1.0	-48.30	440.56	4.53	-43.77
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699213	1	59	-1.0	-48.26	440.62	4.55	-43.71
CC(C)(C)OC(=O)CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCOCC1	REAL300019699214	0	53	-1.0	-53.42	385.65	3.34	-50.08
CC(C)(C)OC(=O)CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCOCC1	REAL300019699214	1	53	-1.0	-53.41	385.71	3.36	-50.05
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019699215	0	45	-1.0	-39.77	363.70	3.68	-36.09
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019699215	1	45	-1.0	-39.80	363.76	3.71	-36.09
CC(C)C1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699216	0	40	-1.0	-46.20	319.63	4.16	-42.04
CC(C)C1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699216	1	40	-1.0	-46.21	319.69	4.19	-42.02
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699217	0	50	-1.0	-50.66	402.41	5.14	-45.52
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699217	1	50	-1.0	-50.65	402.47	5.17	-45.48
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699218	0	55	-1.0	-58.78	414.87	4.51	-54.27
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699218	1	55	-1.0	-58.76	414.92	4.53	-54.23
CC1=NN(C(C)CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699219	0	40	-1.0	-47.01	325.07	2.31	-44.70
CC1=NN(C(C)CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699219	1	40	-1.0	-47.00	325.13	2.34	-44.66
O=C(CCCC1=CC=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699220	0	39	-1.0	-51.07	323.92	3.09	-47.98
O=C(CCCC1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699220	1	39	-1.0	-51.06	323.98	3.12	-47.94
COC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300019699221	0	38	-1.0	-44.63	327.69	2.62	-42.01
COC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300019699221	1	38	-1.0	-44.64	327.75	2.64	-42.00
CC(C)(C)N1N=NC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL300019699222	0	41	-1.0	-54.06	339.58	0.87	-53.19
CC(C)(C)N1N=NC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019699222	1	41	-1.0	-54.05	339.64	0.89	-53.16
O=C(C1=CC=C2COCCC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699223	0	39	-1.0	-46.88	314.54	2.33	-44.55
O=C(C1=CC=C2COCCC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699223	1	39	-1.0	-46.86	314.60	2.35	-44.51
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699224	0	39	-1.0	-43.59	333.76	2.31	-41.28
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699224	1	39	-1.0	-43.60	333.82	2.33	-41.27
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699225	0	34	-1.0	-43.73	314.33	4.09	-39.64
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699225	1	34	-1.0	-43.69	314.39	4.11	-39.58
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699226	0	42	-1.0	-48.33	343.10	3.90	-44.43
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699226	1	42	-1.0	-48.37	343.16	3.92	-44.45
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699227	0	40	-1.0	-48.90	338.89	3.82	-45.08
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699227	1	40	-1.0	-48.86	338.95	3.84	-45.02
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699228	0	50	-1.0	-47.35	388.04	7.08	-40.27
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699228	1	50	-1.0	-47.38	388.10	7.10	-40.28
COCC1=CN=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699229	0	37	-1.0	-45.59	311.75	0.14	-45.45
COCC1=CN=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699229	1	37	-1.0	-45.58	311.69	0.12	-45.46
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCCCC1	REAL300019699230	0	40	-1.0	-44.02	304.23	2.83	-41.19
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCCCC1	REAL300019699230	1	40	-1.0	-44.00	304.29	2.86	-41.14
CN(C)C(=O)C1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019699231	0	47	-1.0	-48.84	357.53	2.50	-46.34
CN(C)C(=O)C1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019699231	1	47	-1.0	-48.84	357.58	2.52	-46.32
CC1=C(Br)C=NC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699232	0	33	-1.0	-41.98	295.09	1.59	-40.39
CC1=C(Br)C=NC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699232	1	33	-1.0	-41.99	295.14	1.61	-40.38
CC(C)[C@@H](C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300019699233	0	48	-1.0	-62.05	369.51	5.69	-56.36
CC(C)[C@@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300019699233	1	48	-1.0	-62.02	369.57	5.71	-56.31
COC1=CC=C(OC(C)(C)C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699234	0	45	-1.0	-50.13	342.88	2.71	-47.42
COC1=CC=C(OC(C)(C)C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699234	1	45	-1.0	-50.11	342.94	2.74	-47.37
CC(C)CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300019699235	0	46	-1.0	-46.56	376.04	6.06	-40.50
CC(C)CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019699235	1	46	-1.0	-46.53	376.10	6.09	-40.44
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699236	0	41	-1.0	-48.29	359.48	2.46	-45.83
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699236	1	41	-1.0	-48.29	359.54	2.49	-45.80
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C21	REAL300019699237	0	44	-1.0	-49.10	355.46	2.48	-46.62
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C21	REAL300019699237	1	44	-1.0	-49.09	355.52	2.51	-46.58
O=C(CC1=C(Cl)C=CC=C1Br)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699238	0	34	-1.0	-46.04	318.35	4.22	-41.82
O=C(CC1=C(Cl)C=CC=C1Br)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699238	1	34	-1.0	-46.03	318.41	4.25	-41.78
COC1=CC=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1Cl	REAL300019699239	0	38	-1.0	-50.31	329.23	3.05	-47.26
COC1=CC=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1Cl	REAL300019699239	1	38	-1.0	-50.30	329.29	3.07	-47.23
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699240	0	41	-1.0	-47.30	334.68	4.05	-43.25
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699240	1	41	-1.0	-47.29	334.74	4.08	-43.21
CCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300019699241	0	50	-1.0	-45.70	384.12	3.46	-42.24
CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300019699241	1	50	-1.0	-45.74	384.18	3.48	-42.26
O=C(CCC1CC1(Cl)Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699242	0	34	-1.0	-47.51	310.73	3.64	-43.87
O=C(CCC1CC1(Cl)Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699242	1	34	-1.0	-47.52	310.79	3.67	-43.85
O=C(C(CC1COCCO1)C(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699243	0	42	-1.0	-45.13	343.36	1.01	-44.12
O=C(C(CC1COCCO1)C(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699243	1	42	-1.0	-45.14	343.41	1.03	-44.11
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699244	0	41	-1.0	-47.34	348.88	3.38	-43.96
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699244	1	41	-1.0	-47.37	348.94	3.39	-43.98
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699245	0	44	-1.0	-47.98	351.96	1.17	-46.81
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699245	1	44	-1.0	-47.99	352.01	1.19	-46.80
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699246	0	51	-1.0	-55.76	395.62	3.39	-52.37
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699246	1	51	-1.0	-55.72	395.68	3.41	-52.31
O=C(CC1=CC=C(Br)C=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699247	0	34	-1.0	-48.62	312.91	3.92	-44.70
O=C(CC1=CC=C(Br)C=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699247	1	34	-1.0	-48.62	312.97	3.94	-44.68
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699248	0	37	-1.0	-51.59	320.34	2.25	-49.34
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699248	1	37	-1.0	-51.55	320.28	2.22	-49.33
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(N2C=NN=N2)CCOCC1	REAL300019699249	0	40	-1.0	-41.15	313.11	0.42	-40.73
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(N2C=NN=N2)CCOCC1	REAL300019699249	1	40	-1.0	-41.18	313.06	0.41	-40.77
CC(C)N(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019699250	0	50	-1.0	-52.27	385.00	3.87	-48.40
CC(C)N(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019699250	1	50	-1.0	-52.27	385.06	3.89	-48.38
CC(=O)C1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300019699251	0	46	-1.0	-48.34	370.74	4.85	-43.49
CC(=O)C1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300019699251	1	46	-1.0	-48.34	370.80	4.86	-43.48
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699252	0	50	0.0	-73.11	365.90	3.04	-70.07
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699252	1	50	0.0	-73.59	365.42	3.06	-70.53
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699252	1	50	0.0	-73.10	365.84	3.02	-70.08
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699252	1	50	0.0	-73.60	365.36	3.03	-70.57
CC(C)[N@@H+]1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300019699253	0	56	0.0	-70.00	405.34	4.79	-65.21
CC(C)[N@H+]1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300019699253	1	56	0.0	-58.61	421.64	4.95	-53.66
CC(C)[N@@H+]1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300019699253	1	56	0.0	-69.98	405.28	4.77	-65.21
CC(C)[N@H+]1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300019699253	1	56	0.0	-58.63	421.58	4.94	-53.69
NC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300019699254	0	43	-1.0	-46.91	356.49	2.84	-44.07
NC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300019699254	1	43	-1.0	-46.89	356.44	2.82	-44.07
O=C(C1=C2CCCCN2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699255	0	39	-1.0	-43.10	311.20	3.61	-39.49
O=C(C1=C2CCCCN2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699255	1	39	-1.0	-43.09	311.25	3.63	-39.46
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300019699256	0	44	-1.0	-52.51	364.59	5.43	-47.08
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300019699256	1	44	-1.0	-52.48	364.53	5.40	-47.08
CCNC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019699257	0	35	-1.0	-39.50	305.40	0.28	-39.22
CCNC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019699257	1	35	-1.0	-39.48	305.34	0.25	-39.23
O=C(N1CCOC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019699258	0	34	-1.0	-40.09	314.68	3.84	-36.25
O=C(N1CCOC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019699258	1	34	-1.0	-40.08	314.74	3.86	-36.22
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699259	0	41	-1.0	-46.76	331.39	5.11	-41.65
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699259	1	41	-1.0	-46.74	331.45	5.14	-41.60
O=C(C1CC2=CC=CC=C2CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699260	0	39	-1.0	-48.38	313.98	3.56	-44.82
O=C(C1CC2=CC=CC=C2CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699260	1	39	-1.0	-48.38	314.03	3.59	-44.79
COC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300019699261	0	44	-1.0	-47.85	334.74	3.38	-44.47
COC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300019699261	1	44	-1.0	-47.83	334.80	3.40	-44.43
CC1CC2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300019699262	0	39	-1.0	-45.80	317.65	2.84	-42.96
CC1CC2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300019699262	1	39	-1.0	-45.79	317.71	2.87	-42.92
O=C(C1CC2(C1)CCCCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699263	0	44	-1.0	-46.15	332.17	4.44	-41.71
O=C(C1CC2(C1)CCCCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699263	1	44	-1.0	-46.11	332.23	4.47	-41.64
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699264	0	37	-1.0	-45.82	323.75	5.03	-40.79
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699264	1	37	-1.0	-45.81	323.81	5.06	-40.75
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699265	0	37	-1.0	-49.73	334.13	4.05	-45.68
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699265	1	37	-1.0	-49.72	334.07	4.02	-45.70
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)N1C1=CN(C)N=C1	REAL300019699266	0	45	-1.0	-50.06	370.59	4.02	-46.04
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)N1C1=CN(C)N=C1	REAL300019699266	1	45	-1.0	-50.06	370.53	4.01	-46.05
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019699267	0	40	-1.0	-49.45	357.65	3.63	-45.82
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019699267	1	40	-1.0	-49.45	357.60	3.61	-45.84
COCC1=CSC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699268	0	35	-1.0	-39.32	306.77	0.97	-38.35
COCC1=CSC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699268	1	35	-1.0	-39.31	306.83	0.99	-38.32
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699269	0	44	0.0	-67.82	349.87	2.91	-64.91
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699269	1	44	0.0	-67.84	349.93	2.93	-64.91
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699270	0	45	-1.0	-47.97	372.18	3.01	-44.96
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699270	1	45	-1.0	-47.97	372.13	2.99	-44.98
NC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC(Br)=N1	REAL300019699271	0	32	-1.0	-42.99	293.36	-0.22	-43.21
NC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC(Br)=N1	REAL300019699271	1	32	-1.0	-42.90	293.30	-0.24	-43.14
O=C(C1=NOC2=C1COCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699272	0	35	-1.0	-43.59	290.37	0.44	-43.15
O=C(C1=NOC2=C1COCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699272	1	35	-1.0	-43.61	290.43	0.47	-43.14
CC1=CN2C=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC2=N1	REAL300019699273	0	37	-1.0	-48.79	314.72	3.57	-45.22
CC1=CN2C=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC2=N1	REAL300019699273	1	37	-1.0	-48.82	314.77	3.60	-45.22
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699274	0	45	-1.0	-48.97	374.01	6.61	-42.36
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699274	1	45	-1.0	-48.97	374.07	6.64	-42.33
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300019699275	0	45	-1.0	-57.48	367.15	1.95	-55.53
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300019699275	1	45	-1.0	-57.52	367.21	1.98	-55.54
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699276	0	39	-1.0	-53.56	325.86	1.08	-52.48
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699276	1	39	-1.0	-53.60	325.92	1.10	-52.50
CNC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1F	REAL300019699277	0	36	-1.0	-38.75	301.23	1.15	-37.60
CNC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1F	REAL300019699277	1	36	-1.0	-38.71	301.28	1.17	-37.54
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019699278	0	54	-1.0	-51.65	414.31	0.89	-50.76
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019699278	1	54	-1.0	-51.66	414.36	0.92	-50.74
O=C(C1CCC2C(C1)C2(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699279	0	38	-1.0	-49.44	300.12	3.21	-46.23
O=C(C1CCC2C(C1)C2(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699279	1	38	-1.0	-49.47	300.17	3.24	-46.23
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699280	0	42	-1.0	-55.58	341.78	-0.90	-56.48
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699280	1	42	-1.0	-55.57	341.84	-0.88	-56.45
COC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300019699281	0	42	-1.0	-53.30	354.70	2.76	-50.54
COC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300019699281	1	42	-1.0	-53.33	354.76	2.79	-50.54
CC1=CC=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1Br	REAL300019699282	0	37	-1.0	-47.38	322.63	4.36	-43.02
CC1=CC=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1Br	REAL300019699282	1	37	-1.0	-47.39	322.69	4.38	-43.01
O=C(C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1)N1CCOCC1	REAL300019699283	0	46	-1.0	-47.86	363.51	1.63	-46.23
O=C(C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1)N1CCOCC1	REAL300019699283	1	46	-1.0	-47.85	363.57	1.66	-46.19
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699284	0	40	-1.0	-54.75	339.46	2.73	-52.02
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699284	1	40	-1.0	-54.76	339.41	2.70	-52.06
CC1=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=NC=C1Cl	REAL300019699285	0	36	-1.0	-51.89	315.47	2.74	-49.15
CC1=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=NC=C1Cl	REAL300019699285	1	36	-1.0	-51.86	315.53	2.76	-49.10
NC1=C(Cl)C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300019699286	0	33	-1.0	-43.50	303.47	1.23	-42.27
NC1=C(Cl)C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300019699286	1	33	-1.0	-43.50	303.53	1.26	-42.24
CCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300019699287	0	43	-1.0	-46.28	317.62	3.25	-43.03
CCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300019699287	1	43	-1.0	-46.29	317.67	3.27	-43.02
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699288	0	34	-1.0	-43.92	308.42	1.17	-42.75
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699288	1	34	-1.0	-43.93	308.37	1.14	-42.79
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699289	0	43	-1.0	-48.95	327.57	2.78	-46.17
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699289	1	43	-1.0	-48.92	327.63	2.81	-46.11
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCOCC1	REAL300019699290	0	38	-1.0	-42.82	294.51	0.46	-42.36
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCOCC1	REAL300019699290	1	38	-1.0	-42.85	294.57	0.47	-42.38
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699291	0	34	-1.0	-44.64	316.62	3.79	-40.85
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699291	1	34	-1.0	-44.61	316.68	3.80	-40.81
CSCC[C@H](NC(N)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699292	0	40	-1.0	-59.01	333.84	-1.15	-60.16
CSCC[C@H](NC(N)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699292	1	40	-1.0	-59.04	333.89	-1.12	-60.16
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019699293	0	44	-1.0	-45.93	344.36	5.41	-40.52
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019699293	1	44	-1.0	-45.94	344.42	5.42	-40.52
CCCCCCCCCCCCC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699294	0	66	-1.0	-46.24	485.68	9.26	-36.98
CCCCCCCCCCCCC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699294	1	66	-1.0	-46.25	485.73	9.29	-36.96
CCN1C(=O)NC2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019699295	0	41	-1.0	-50.25	340.61	2.05	-48.20
CCN1C(=O)NC2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019699295	1	41	-1.0	-50.28	340.66	2.08	-48.20
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699296	0	42	-1.0	-41.40	346.52	2.71	-38.69
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699296	1	42	-1.0	-41.46	346.58	2.74	-38.72
CC1(C)CCCC(O)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699297	0	44	-1.0	-43.20	322.75	1.07	-42.13
CC1(C)CCCC(O)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699297	1	44	-1.0	-43.24	322.81	1.09	-42.15
COC(=O)N1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019699298	0	42	-1.0	-52.39	334.94	1.38	-51.01
COC(=O)N1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019699298	1	42	-1.0	-52.38	335.00	1.40	-50.98
O=C(CCC1=CC=CN=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699299	0	36	-1.0	-48.25	315.32	2.62	-45.63
O=C(CCC1=CC=CN=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699299	1	36	-1.0	-48.26	315.26	2.60	-45.66
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699300	0	54	-1.0	-52.86	404.53	4.48	-48.38
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699300	1	54	-1.0	-52.85	404.59	4.49	-48.36
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699301	0	43	-1.0	-48.35	373.70	4.45	-43.90
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699301	1	43	-1.0	-48.33	373.64	4.43	-43.90
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699302	0	54	-1.0	-46.08	424.02	0.88	-45.20
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699302	1	54	-1.0	-46.09	424.08	0.90	-45.19
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=N1	REAL300019699303	0	50	-1.0	-54.74	407.49	-0.19	-54.93
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=N1	REAL300019699303	1	50	-1.0	-54.75	407.43	-0.22	-54.97
CN1C(=O)CO[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CN=C1	REAL300019699304	0	45	-1.0	-45.09	352.80	0.46	-44.63
CN1C(=O)CO[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CN=C1	REAL300019699304	1	45	-1.0	-45.08	352.86	0.49	-44.59
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699305	0	46	-1.0	-40.55	355.01	3.16	-37.39
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699305	1	46	-1.0	-40.57	355.07	3.19	-37.38
CC(C)(C)OC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1(C)C	REAL300019699306	0	49	-1.0	-38.45	377.82	4.51	-33.94
CC(C)(C)OC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1(C)C	REAL300019699306	1	49	-1.0	-38.48	377.87	4.53	-33.95
CC(C)(C)OC(=O)C(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300019699307	0	52	-1.0	-49.56	395.94	5.36	-44.20
CC(C)(C)OC(=O)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300019699307	1	52	-1.0	-49.54	396.00	5.38	-44.16
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL300019699308	0	38	-1.0	-50.39	340.90	-0.44	-50.83
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019699308	1	38	-1.0	-50.38	340.96	-0.42	-50.80
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699309	0	41	-1.0	-49.68	350.68	4.11	-45.57
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699309	1	41	-1.0	-49.70	350.74	4.13	-45.57
O=C(C1=CC(Br)=CNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699310	0	31	-1.0	-47.11	291.44	-0.04	-47.15
O=C(C1=CC(Br)=CNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699310	1	31	-1.0	-47.09	291.49	-0.01	-47.10
COCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCC1	REAL300019699311	0	44	-1.0	-49.77	323.62	1.82	-47.95
COCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCC1	REAL300019699311	1	44	-1.0	-49.78	323.67	1.84	-47.94
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COC1=CC=C(CN2CCC2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699342	1	47	-1.0	-53.47	379.48	1.31	-52.16
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CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699345	0	52	-1.0	-55.11	392.19	0.29	-54.82
CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699345	1	52	-1.0	-55.07	392.24	0.31	-54.76
CN(CCC1=CC=CC=C1)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699346	0	45	-1.0	-46.92	359.18	3.13	-43.79
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699346	1	46	0.0	-69.72	360.96	5.44	-64.28
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699346	1	46	0.0	-69.87	360.99	5.43	-64.44
CN(CCC1=CC=CC=C1)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699346	1	45	-1.0	-46.94	359.23	3.16	-43.78
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COCCOCC[N@H+](C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699347	1	50	0.0	-70.20	389.95	1.66	-68.54
COCCOCC[N@@H+](C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699347	1	50	0.0	-71.42	390.00	1.69	-69.73
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CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1CSCCSC1	REAL300019699348	1	41	-1.0	-47.22	327.84	1.11	-46.11
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O=C(C1=CC2=NN=NN2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699358	0	32	-1.0	-43.98	282.75	0.57	-43.41
O=C(C1=CC2=NN=NN2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699358	1	32	-1.0	-44.00	282.69	0.54	-43.46
O=C(C1CCC(C2CC2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699359	0	44	-1.0	-45.60	337.67	4.73	-40.87
O=C(C1CCC(C2CC2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699359	1	44	-1.0	-45.63	337.73	4.75	-40.88
O=C(C1=C2SC=CC2=NC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699360	0	32	-1.0	-42.29	285.31	2.44	-39.85
O=C(C1=C2SC=CC2=NC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699360	1	32	-1.0	-42.26	285.25	2.41	-39.85
CCCCCCCCC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699361	0	51	-1.0	-36.74	390.33	6.00	-30.74
CCCCCCCCC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699361	1	51	-1.0	-36.69	390.39	6.03	-30.66
CC(C)(C)OC(=O)NC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019699362	0	48	-1.0	-47.36	381.40	1.76	-45.60
CC(C)(C)OC(=O)NC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019699362	1	48	-1.0	-47.34	381.45	1.77	-45.57
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699363	0	54	-1.0	-58.28	408.97	4.24	-54.04
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699363	1	54	-1.0	-58.27	409.03	4.26	-54.01
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699364	0	40	-1.0	-55.53	333.46	2.61	-52.92
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699364	1	40	-1.0	-55.50	333.41	2.58	-52.92
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699365	0	40	-1.0	-55.53	333.46	2.61	-52.92
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699365	1	40	-1.0	-55.50	333.41	2.58	-52.92
CC(C)(C)OC(=O)NC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300019699366	0	55	-1.0	-52.46	420.97	4.01	-48.45
CC(C)(C)OC(=O)NC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300019699366	1	55	-1.0	-52.42	421.02	4.03	-48.39
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699367	0	44	-1.0	-47.57	352.12	4.44	-43.13
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699367	1	44	-1.0	-47.56	352.18	4.46	-43.10
O=C(C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699368	0	44	-1.0	-47.24	369.26	6.71	-40.53
O=C(C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699368	1	44	-1.0	-47.23	369.31	6.74	-40.49
O=C(C1CCC2CCCC[N@@H+]21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699369	0	44	0.0	-60.36	326.02	3.76	-56.60
O=C(C1CCC2CCCC[N@H+]21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699369	1	44	0.0	-61.92	322.27	3.47	-58.45
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699370	0	42	-1.0	-56.95	361.31	3.00	-53.95
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699370	1	42	-1.0	-56.94	361.25	2.98	-53.96
COC1=CC=C(CNC(=O)C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699371	0	46	-1.0	-46.75	387.85	1.52	-45.23
COC1=CC=C(CNC(=O)C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699371	1	46	-1.0	-46.76	387.91	1.55	-45.21
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699372	0	55	0.0	-71.62	406.98	4.65	-66.97
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699372	1	55	0.0	-76.56	411.54	4.96	-71.60
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699372	1	55	0.0	-71.64	407.04	4.67	-66.97
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699372	1	55	0.0	-76.54	411.60	4.98	-71.56
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699373	0	53	-1.0	-50.22	405.00	2.09	-48.13
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699373	1	53	-1.0	-50.19	405.06	2.12	-48.07
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=NC=CS1	REAL300019699374	0	36	-1.0	-42.51	293.80	0.85	-41.66
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=NC=CS1	REAL300019699374	1	36	-1.0	-42.48	293.74	0.82	-41.66
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699375	0	35	-1.0	-47.00	326.03	4.28	-42.72
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699375	1	35	-1.0	-47.01	326.08	4.30	-42.71
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699376	0	39	-1.0	-47.90	334.45	3.38	-44.52
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699376	1	39	-1.0	-47.90	334.50	3.40	-44.50
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699377	0	35	-1.0	-41.84	322.76	2.58	-39.26
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699377	1	35	-1.0	-41.85	322.81	2.61	-39.24
COC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300019699378	0	35	-1.0	-44.32	311.70	2.26	-42.06
COC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300019699378	1	35	-1.0	-44.37	311.76	2.27	-42.10
O=C(C1C2CC3=CC=CC=C3C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699379	0	39	-1.0	-48.94	311.93	4.99	-43.95
O=C(C1C2CC3=CC=CC=C3C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699379	1	39	-1.0	-48.96	311.98	5.02	-43.94
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1OC(F)(F)F	REAL300019699380	0	38	-1.0	-43.78	326.79	2.79	-40.99
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300019699380	1	38	-1.0	-43.81	326.85	2.81	-41.00
O=C(C1COC2=CC(F)=CC=C2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699381	0	39	-1.0	-43.72	318.47	2.91	-40.81
O=C(C1COC2=CC(F)=CC=C2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699381	1	39	-1.0	-43.75	318.53	2.92	-40.83
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C(S(C)(=O)=O)O1	REAL300019699382	0	37	-1.0	-50.62	325.37	-1.26	-51.88
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C(S(C)(=O)=O)O1	REAL300019699382	1	37	-1.0	-50.61	325.43	-1.23	-51.84
CC1=CC=CC=C1COC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699383	0	44	-1.0	-51.47	352.72	4.81	-46.66
CC1=CC=CC=C1COC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699383	1	44	-1.0	-51.47	352.78	4.84	-46.63
CSC1=CC(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL300019699384	0	35	-1.0	-43.27	304.03	2.48	-40.79
CSC1=CC(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019699384	1	35	-1.0	-43.29	304.09	2.50	-40.79
COC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300019699385	0	44	-1.0	-38.36	346.08	3.68	-34.68
COC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300019699385	1	44	-1.0	-38.34	346.14	3.70	-34.64
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699386	0	40	-1.0	-47.14	319.58	3.49	-43.65
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699386	1	40	-1.0	-47.15	319.63	3.52	-43.63
CC(C)C1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699387	0	40	-1.0	-46.20	321.91	4.17	-42.03
CC(C)C1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699387	1	40	-1.0	-46.20	321.97	4.19	-42.01
O=C(C1=CSC(C(F)(F)F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699388	0	31	-1.0	-45.67	290.77	2.40	-43.27
O=C(C1=CSC(C(F)(F)F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699388	1	31	-1.0	-45.66	290.83	2.43	-43.23
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699389	0	44	-1.0	-47.62	342.13	5.42	-42.20
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699389	1	44	-1.0	-47.59	342.19	5.44	-42.15
COCCCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699390	0	41	-1.0	-48.03	341.06	0.73	-47.30
COCCCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699390	1	41	-1.0	-48.05	341.01	0.70	-47.35
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NN1C1CCOCC1	REAL300019699391	0	45	-1.0	-49.24	358.26	2.18	-47.06
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NN1C1CCOCC1	REAL300019699391	1	45	-1.0	-49.24	358.31	2.20	-47.04
CN1C=C(N2CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)CC2=O)C=N1	REAL300019699392	0	42	-1.0	-50.33	343.73	1.20	-49.13
CN1C=C(N2CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)CC2=O)C=N1	REAL300019699392	1	42	-1.0	-50.34	343.67	1.18	-49.16
CC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=NC=C1	REAL300019699393	0	39	-1.0	-46.61	316.34	2.76	-43.85
CC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=NC=C1	REAL300019699393	1	39	-1.0	-46.59	316.40	2.78	-43.81
O=C(C1=C2C=CSC2=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699394	0	33	-1.0	-41.41	292.59	1.75	-39.66
O=C(C1=C2C=CSC2=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699394	1	33	-1.0	-41.42	292.53	1.74	-39.68
CCOC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCOCC1	REAL300019699395	0	42	-1.0	-42.96	316.15	0.14	-42.82
CCOC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCOCC1	REAL300019699395	1	42	-1.0	-42.95	316.20	0.16	-42.79
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699396	0	38	-1.0	-50.96	340.89	4.55	-46.41
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699396	1	38	-1.0	-50.97	340.95	4.57	-46.40
COC1=CC=C(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300019699397	0	41	-1.0	-46.94	354.31	3.87	-43.07
COC1=CC=C(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300019699397	1	41	-1.0	-46.88	354.37	3.90	-42.98
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699398	0	40	-1.0	-54.28	338.48	2.67	-51.61
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699398	1	40	-1.0	-54.26	338.42	2.65	-51.61
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699399	0	37	-1.0	-44.03	337.58	4.64	-39.39
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699399	1	37	-1.0	-44.04	337.63	4.66	-39.38
O=C(C1=C(Br)N=C2COCCN21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699400	0	36	-1.0	-44.86	322.38	0.61	-44.25
O=C(C1=C(Br)N=C2COCCN21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699400	1	36	-1.0	-44.91	322.44	0.63	-44.28
CC1=CC=CC=C1COCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699401	0	41	-1.0	-52.14	336.83	4.37	-47.77
CC1=CC=CC=C1COCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699401	1	41	-1.0	-52.12	336.89	4.39	-47.73
CC1=CC=CC(COCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699402	0	41	-1.0	-51.35	342.07	4.35	-47.00
CC1=CC=CC(COCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699402	1	41	-1.0	-51.38	342.13	4.38	-47.00
O=C(C1=C2SC=CC2=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699403	0	33	-1.0	-44.29	293.16	2.58	-41.71
O=C(C1=C2SC=CC2=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699403	1	33	-1.0	-44.23	293.11	2.56	-41.67
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699404	0	42	-1.0	-48.15	350.00	3.48	-44.67
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699404	1	42	-1.0	-48.11	350.05	3.51	-44.60
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699405	0	40	-1.0	-64.31	316.31	1.67	-62.64
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699405	1	40	-1.0	-64.30	316.37	1.70	-62.60
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699406	0	37	-2.0	-98.55	330.48	-1.72	-100.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699406	1	37	-2.0	-98.54	330.42	-1.74	-100.28
CS(=O)(=O)NC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699406	1	38	-1.0	-45.69	330.54	-1.57	-47.26
CS(=O)(=O)NC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699406	1	38	-1.0	-45.62	330.49	-1.60	-47.22
O=C(CN1C=CC(C(F)F)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699407	0	34	-1.0	-55.24	301.52	1.49	-53.75
O=C(CN1C=CC(C(F)F)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699407	1	34	-1.0	-55.23	301.58	1.52	-53.71
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699408	0	37	-1.0	-48.49	315.70	1.55	-46.94
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699408	1	37	-1.0	-48.54	315.76	1.57	-46.97
CC1=CN2C=CN=C2C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699409	0	37	-1.0	-55.22	314.51	3.70	-51.52
CC1=CN2C=CN=C2C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699409	1	37	-1.0	-55.21	314.56	3.72	-51.49
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699410	0	34	-1.0	-46.00	315.55	2.50	-43.50
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699410	1	34	-1.0	-46.00	315.49	2.47	-43.53
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699411	0	42	-1.0	-44.03	339.38	1.57	-42.46
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699411	1	42	-1.0	-44.10	339.32	1.55	-42.55
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699412	0	37	-1.0	-47.28	348.55	4.50	-42.78
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699412	1	37	-1.0	-47.29	348.50	4.48	-42.81
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699413	0	48	-1.0	-48.38	378.45	1.38	-47.00
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699413	1	48	-1.0	-48.47	378.51	1.40	-47.07
CC1=CC=C(COCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699414	0	41	-1.0	-51.35	342.07	4.36	-46.99
CC1=CC=C(COCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699414	1	41	-1.0	-51.29	342.13	4.39	-46.90
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699415	0	34	-1.0	-44.63	307.86	1.54	-43.09
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699415	1	34	-1.0	-44.60	307.92	1.56	-43.04
O=C(C1=CC(C(F)F)=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699416	0	34	-1.0	-45.29	302.01	3.25	-42.04
O=C(C1=CC(C(F)F)=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699416	1	34	-1.0	-45.30	302.07	3.28	-42.02
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699417	0	45	-1.0	-50.87	356.19	3.26	-47.61
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699417	1	45	-1.0	-50.85	356.25	3.28	-47.57
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699418	0	38	-1.0	-48.06	328.60	3.42	-44.64
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699418	1	38	-1.0	-48.03	328.54	3.40	-44.63
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699419	0	33	-1.0	-43.24	308.47	2.28	-40.96
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699419	1	33	-1.0	-43.24	308.41	2.25	-40.99
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699420	0	59	0.0	-76.22	440.25	7.78	-68.44
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699420	1	59	0.0	-75.79	444.22	7.95	-67.84
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699420	1	59	0.0	-76.25	440.30	7.81	-68.44
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699420	1	59	0.0	-75.77	444.28	7.98	-67.79
COC1=CC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC(OC)=C1O	REAL300019699421	0	46	-1.0	-49.50	377.07	1.09	-48.41
COC1=CC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC(OC)=C1O	REAL300019699421	1	46	-1.0	-49.48	377.13	1.12	-48.36
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699422	0	41	-1.0	-48.81	343.65	2.56	-46.25
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699422	1	41	-1.0	-48.81	343.70	2.58	-46.23
COC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C	REAL300019699423	0	38	-1.0	-46.97	309.65	2.27	-44.70
COC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C	REAL300019699423	1	38	-1.0	-46.96	309.71	2.28	-44.68
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699424	0	47	-1.0	-46.71	384.24	5.89	-40.82
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699424	1	47	-1.0	-46.73	384.30	5.92	-40.81
CCC1=CNC(=O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699425	0	37	-1.0	-59.53	313.22	0.74	-58.79
CCC1=CNC(=O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699425	1	37	-1.0	-59.54	313.28	0.77	-58.77
O=C(C(O)CC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699426	0	38	-1.0	-45.95	313.29	1.75	-44.20
O=C(C(O)CC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699426	1	38	-1.0	-45.94	313.34	1.77	-44.17
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699427	0	56	0.0	-75.31	425.22	7.33	-67.98
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699427	1	56	0.0	-58.78	427.35	7.47	-51.31
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699427	1	56	0.0	-75.31	425.28	7.36	-67.95
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699427	1	56	0.0	-58.85	427.41	7.50	-51.35
CC1=CC(F)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300019699428	0	34	-1.0	-49.21	299.67	3.19	-46.02
CC1=CC(F)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300019699428	1	34	-1.0	-49.16	299.73	3.21	-45.95
CC1=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300019699429	0	40	-1.0	-47.92	329.04	4.60	-43.32
CC1=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300019699429	1	40	-1.0	-47.93	329.10	4.63	-43.30
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699430	0	41	-1.0	-44.33	352.08	2.53	-41.80
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699430	1	41	-1.0	-44.35	352.03	2.51	-41.84
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699431	0	43	-1.0	-47.42	338.62	2.74	-44.68
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699431	1	43	-1.0	-47.44	338.68	2.77	-44.67
COC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1OC(C)C	REAL300019699432	0	45	-1.0	-51.90	362.56	3.65	-48.25
COC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1OC(C)C	REAL300019699432	1	45	-1.0	-51.88	362.61	3.68	-48.20
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699433	0	34	-1.0	-47.75	311.61	2.59	-45.16
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699433	1	34	-1.0	-47.79	311.55	2.56	-45.23
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699434	0	41	-1.0	-48.90	353.13	2.58	-46.32
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699434	1	41	-1.0	-48.86	353.08	2.55	-46.31
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699435	0	42	-1.0	-50.18	346.56	2.72	-47.46
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699435	1	42	-1.0	-50.21	346.62	2.75	-47.46
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699436	0	42	-1.0	-49.81	346.72	2.70	-47.11
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699436	1	42	-1.0	-49.82	346.78	2.73	-47.09
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699437	0	35	-1.0	-39.53	299.09	-0.05	-39.58
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699437	1	35	-1.0	-39.53	299.14	-0.02	-39.55
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699438	0	37	-1.0	-49.00	333.97	3.96	-45.04
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699438	1	37	-1.0	-49.03	333.92	3.94	-45.09
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCOC(C4=N[N-]N=N4)C3)[C@@H]2C1	REAL300019699439	0	52	-1.0	-49.85	400.89	3.85	-46.00
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCOC(C4=NN=N[N-]4)C3)[C@@H]2C1	REAL300019699439	1	52	-1.0	-49.85	400.95	3.86	-45.99
COC(=O)C=CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL300019699440	0	38	-1.0	-45.30	333.44	2.84	-42.46
COC(=O)C=CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019699440	1	38	-1.0	-45.31	333.49	2.87	-42.44
CC(C)(C)C1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699441	0	47	-1.0	-39.14	371.12	6.09	-33.05
CC(C)(C)C1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699441	1	47	-1.0	-39.08	371.18	6.12	-32.96
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699442	0	31	-1.0	-47.70	293.65	2.95	-44.75
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699442	1	31	-1.0	-47.70	293.71	2.97	-44.73
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699443	0	57	-1.0	-48.28	431.45	4.92	-43.36
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699443	1	57	-1.0	-48.25	431.51	4.94	-43.31
CCN1N=CC(Cl)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699444	0	34	-1.0	-42.82	306.73	1.54	-41.28
CCN1N=CC(Cl)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699444	1	34	-1.0	-42.79	306.67	1.52	-41.27
COC(=O)C1=C(C)C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL300019699445	0	37	-1.0	-40.71	317.42	1.94	-38.77
COC(=O)C1=C(C)C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019699445	1	37	-1.0	-40.65	317.48	1.97	-38.68
COC(=O)C1=CN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1	REAL300019699446	0	37	-1.0	-55.93	323.24	1.38	-54.55
COC(=O)C1=CN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1	REAL300019699446	1	37	-1.0	-55.91	323.18	1.35	-54.56
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699447	0	56	-1.0	-42.91	424.39	2.64	-40.27
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699447	1	56	-1.0	-42.93	424.45	2.66	-40.27
C[C@@H](CC(=O)N1CCOC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300019699448	0	47	-1.0	-54.20	372.04	1.32	-52.88
C[C@@H](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300019699448	1	47	-1.0	-54.20	372.10	1.34	-52.86
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699449	0	49	-1.0	-40.36	382.57	1.66	-38.70
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699449	1	49	-1.0	-40.41	382.63	1.68	-38.73
CN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C2=CC=CO2)=N1	REAL300019699450	0	38	-1.0	-54.21	324.73	2.68	-51.53
CN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C2=CC=CO2)=N1	REAL300019699450	1	38	-1.0	-54.22	324.67	2.65	-51.57
NC(=O)C1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL300019699451	0	36	-1.0	-40.92	317.59	-1.15	-42.07
NC(=O)C1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019699451	1	36	-1.0	-40.97	317.64	-1.12	-42.09
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)OC(S(N)(=O)=O)=C1	REAL300019699452	0	36	-1.0	-47.54	317.04	-3.79	-51.33
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)OC(S(N)(=O)=O)=C1	REAL300019699452	1	36	-1.0	-47.58	317.10	-3.77	-51.35
CSC1=CC=C(O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699453	0	36	-1.0	-42.98	312.35	0.87	-42.11
CSC1=CC=C(O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699453	1	36	-1.0	-42.99	312.41	0.88	-42.11
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699454	0	55	-1.0	-54.04	414.15	2.67	-51.37
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699454	1	55	-1.0	-54.06	414.21	2.69	-51.37
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699455	0	49	-1.0	-57.71	379.94	4.35	-53.36
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699455	1	49	-1.0	-57.74	379.99	4.36	-53.38
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019699456	0	41	-1.0	-55.01	348.40	3.26	-51.75
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL300019699456	1	41	-1.0	-55.03	348.34	3.25	-51.78
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019699457	0	50	-1.0	-47.18	356.79	5.75	-41.43
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019699457	1	50	-1.0	-47.19	356.85	5.76	-41.43
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699458	0	35	-1.0	-44.07	307.68	0.91	-43.16
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699458	1	35	-1.0	-44.09	307.74	0.93	-43.16
CC1=CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1	REAL300019699459	0	48	-1.0	-50.96	392.18	7.25	-43.71
CC1=CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1	REAL300019699459	1	48	-1.0	-50.95	392.23	7.28	-43.67
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCOC(C5=NN=N[N-]5)C4)=CC=C32)=C1	REAL300019699460	0	47	-1.0	-47.57	388.96	7.55	-40.02
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCOC(C5=N[N-]N=N5)C4)=CC=C32)=C1	REAL300019699460	1	47	-1.0	-47.57	388.90	7.53	-40.04
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=C21	REAL300019699461	0	39	-1.0	-42.46	337.31	1.72	-40.74
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=C21	REAL300019699461	1	39	-1.0	-42.50	337.25	1.70	-40.80
O=C(C1CCC2=CC(F)=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699462	0	38	-1.0	-47.64	315.15	4.29	-43.35
O=C(C1CCC2=CC(F)=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699462	1	38	-1.0	-47.65	315.21	4.31	-43.34
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C	REAL300019699463	0	44	-1.0	-47.23	351.78	5.80	-41.43
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C	REAL300019699463	1	44	-1.0	-47.24	351.84	5.83	-41.41
CCOCCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699464	0	41	-1.0	-46.09	340.45	0.87	-45.22
CCOCCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699464	1	41	-1.0	-46.11	340.39	0.85	-45.26
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699465	0	42	-1.0	-45.45	350.87	3.95	-41.50
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699465	1	42	-1.0	-45.44	350.93	3.98	-41.46
O=C(C1=C(C(F)(F)F)SC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699466	0	31	-1.0	-49.80	288.77	2.30	-47.50
O=C(C1=C(C(F)(F)F)SC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699466	1	31	-1.0	-49.75	288.83	2.32	-47.43
CC1=NN(C2CCOCC2)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699467	0	45	-1.0	-44.22	354.59	1.65	-42.57
CC1=NN(C2CCOCC2)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699467	1	45	-1.0	-44.22	354.65	1.67	-42.55
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699468	0	50	-1.0	-45.48	380.02	-0.23	-45.71
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699468	1	50	-1.0	-45.51	380.08	-0.21	-45.72
CN1N=C(Cl)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1Cl	REAL300019699469	0	31	-1.0	-44.37	302.03	1.05	-43.32
CN1N=C(Cl)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1Cl	REAL300019699469	1	31	-1.0	-44.43	301.97	1.02	-43.41
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699470	0	40	-1.0	-51.51	350.24	3.96	-47.55
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699470	1	40	-1.0	-51.55	350.18	3.93	-47.62
O=C(C1CCCC1CC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699471	0	47	-1.0	-46.95	360.48	6.43	-40.52
O=C(C1CCCC1CC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699471	1	47	-1.0	-46.97	360.54	6.46	-40.51
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699472	0	44	-1.0	-45.43	361.67	4.67	-40.76
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699472	1	44	-1.0	-45.47	361.61	4.64	-40.83
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2CCCC2)CCNC1=O	REAL300019699473	0	45	-1.0	-55.23	333.47	0.18	-55.05
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2CCCC2)CCNC1=O	REAL300019699473	1	45	-1.0	-55.24	333.53	0.20	-55.04
CCOC1=CC=CC(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699474	0	42	-1.0	-39.56	346.36	4.00	-35.56
CCOC1=CC=CC(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699474	1	42	-1.0	-39.55	346.42	4.02	-35.53
COC1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699475	0	39	-1.0	-40.82	324.44	3.08	-37.74
COC1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699475	1	39	-1.0	-40.81	324.49	3.10	-37.71
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699476	0	34	-1.0	-48.81	308.78	3.83	-44.98
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699476	1	34	-1.0	-48.85	308.84	3.85	-45.00
CC1(C)CC1(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300019699477	0	44	-1.0	-46.51	343.10	5.12	-41.39
CC1(C)CC1(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019699477	1	44	-1.0	-46.48	343.16	5.14	-41.34
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699478	0	38	-1.0	-47.46	338.65	3.49	-43.97
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699478	1	38	-1.0	-47.50	338.71	3.51	-43.99
CC(=CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300019699479	0	35	-1.0	-44.12	303.61	3.62	-40.50
CC(=CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300019699479	1	35	-1.0	-44.12	303.66	3.64	-40.48
O=C(C1=CSC=C1C(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699480	0	31	-1.0	-39.62	288.49	2.32	-37.30
O=C(C1=CSC=C1C(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699480	1	31	-1.0	-39.61	288.55	2.35	-37.26
CCCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300019699481	0	43	-1.0	-46.61	359.03	5.59	-41.02
CCCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019699481	1	43	-1.0	-46.62	359.09	5.61	-41.01
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699482	0	48	-1.0	-47.37	384.47	2.30	-45.07
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699482	1	48	-1.0	-47.38	384.53	2.33	-45.05
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699483	0	41	-1.0	-50.58	336.46	1.14	-49.44
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699483	1	41	-1.0	-50.56	336.41	1.12	-49.44
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699484	0	37	-1.0	-55.73	308.24	-0.70	-56.43
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699484	1	37	-1.0	-55.73	308.30	-0.67	-56.40
CC(C)(C)OC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCCC1	REAL300019699485	0	55	-1.0	-42.34	389.99	5.16	-37.18
CC(C)(C)OC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCCC1	REAL300019699485	1	55	-1.0	-42.36	390.05	5.18	-37.18
CCOCCOCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699486	0	44	-1.0	-51.76	358.68	1.32	-50.44
CCOCCOCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699486	1	44	-1.0	-51.77	358.74	1.34	-50.43
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699487	0	39	-1.0	-50.79	340.67	1.61	-49.18
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699487	1	39	-1.0	-50.80	340.72	1.63	-49.17
O=C(N1CCOC(C2=N[N-]N=N2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019699488	0	40	-1.0	-48.20	347.65	2.84	-45.36
O=C(N1CCOC(C2=NN=N[N-]2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019699488	1	40	-1.0	-48.21	347.71	2.86	-45.35
COC1=CC=CC(C(OC)C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699489	0	42	-1.0	-48.03	341.88	2.35	-45.68
COC1=CC=CC(C(OC)C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699489	1	42	-1.0	-48.05	341.94	2.38	-45.67
COCCOCCOCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699490	0	48	-1.0	-53.16	392.30	0.68	-52.48
COCCOCCOCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699490	1	48	-1.0	-53.15	392.36	0.70	-52.45
COC1=CC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2C=C1OC	REAL300019699491	0	45	-1.0	-48.08	366.42	3.76	-44.32
COC1=CC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2C=C1OC	REAL300019699491	1	45	-1.0	-48.06	366.47	3.78	-44.28
CSC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300019699492	0	35	-1.0	-43.75	308.99	2.38	-41.37
CSC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300019699492	1	35	-1.0	-43.73	309.05	2.40	-41.33
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699493	0	43	-1.0	-63.60	335.10	1.35	-62.25
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699493	1	43	-1.0	-63.58	335.04	1.33	-62.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL300019699494	0	44	-2.0	-108.51	372.50	3.26	-105.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019699494	1	44	-2.0	-108.52	372.56	3.28	-105.24
CC(=O)NC1=CNC(=O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699495	0	38	-1.0	-56.46	329.00	-1.74	-58.20
CC(=O)NC1=CNC(=O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699495	1	38	-1.0	-56.45	329.06	-1.72	-58.17
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(N2C=CC=C2)S1	REAL300019699496	0	39	-1.0	-48.36	334.64	4.93	-43.43
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(N2C=CC=C2)S1	REAL300019699496	1	39	-1.0	-48.36	334.69	4.95	-43.41
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699497	0	37	-2.0	-102.37	316.13	1.96	-100.41
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699497	1	37	-2.0	-102.43	316.08	1.94	-100.49
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699497	1	37	-2.0	-101.36	316.24	2.04	-99.32
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699497	1	37	-2.0	-101.35	316.18	2.02	-99.33
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699498	0	34	-2.0	-85.53	301.75	-0.28	-85.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699498	1	34	-2.0	-85.51	301.69	-0.30	-85.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699498	1	34	-2.0	-85.45	301.82	-0.28	-85.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699498	1	34	-2.0	-85.47	301.76	-0.30	-85.77
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699499	0	43	-1.0	-59.01	371.63	2.37	-56.64
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699499	1	43	-1.0	-58.99	371.57	2.34	-56.65
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699500	0	37	-1.0	-44.58	347.64	0.18	-44.40
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699500	1	37	-1.0	-44.58	347.58	0.15	-44.43
O=C(C1=C(C(F)(F)F)C=NN1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699501	0	31	-1.0	-42.82	283.22	-0.24	-43.06
O=C(C1=C(C(F)(F)F)C=NN1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699501	1	31	-1.0	-42.85	283.28	-0.21	-43.06
O=C(CC1=CC(C2CC2)=NO1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699502	0	37	-1.0	-52.36	313.28	2.95	-49.41
O=C(CC1=CC(C2CC2)=NO1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699502	1	37	-1.0	-52.33	313.34	2.98	-49.35
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699503	0	37	-2.0	-92.99	320.21	-2.21	-95.20
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699503	1	37	-2.0	-92.99	320.27	-2.18	-95.17
CN1C=CC(NC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300019699504	0	43	-1.0	-50.07	353.24	3.23	-46.84
CN1C=CC(NC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300019699504	1	43	-1.0	-50.11	353.18	3.21	-46.90
CC1=NOC(C2(C(=O)N3CCOC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300019699505	0	37	-1.0	-44.12	312.93	2.56	-41.56
CC1=NOC(C2(C(=O)N3CCOC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300019699505	1	37	-1.0	-44.10	312.99	2.59	-41.51
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699506	0	45	-1.0	-46.24	357.93	2.36	-43.88
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699506	1	45	-1.0	-46.24	357.98	2.38	-43.86
O=C(C1CCCC2CCC[N@@H+]21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699507	0	44	0.0	-58.12	326.68	3.69	-54.43
O=C(C1CCCC2CCC[N@H+]21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699507	1	44	0.0	-58.21	326.63	3.71	-54.50
CC(C)(C)OC(=O)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C)(C)C1(C)C	REAL300019699508	0	55	-1.0	-44.23	398.69	5.08	-39.15
CC(C)(C)OC(=O)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C)(C)C1(C)C	REAL300019699508	1	55	-1.0	-44.24	398.74	5.11	-39.13
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699509	0	42	-1.0	-48.54	336.16	0.59	-47.95
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699509	1	42	-1.0	-48.51	336.22	0.62	-47.89
CN1C=NC2=CN=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=C21	REAL300019699510	0	36	-1.0	-45.76	299.78	1.61	-44.15
CN1C=NC2=CN=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=C21	REAL300019699510	1	36	-1.0	-45.76	299.84	1.63	-44.13
O=C(C1CCCN1C1=NC=CC=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699511	0	41	-1.0	-53.67	333.73	2.05	-51.62
O=C(C1CCCN1C1=NC=CC=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699511	1	41	-1.0	-53.65	333.67	2.02	-51.63
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(I)=NN1	REAL300019699512	0	31	-1.0	-45.06	295.50	0.37	-44.69
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(I)=NN1	REAL300019699512	1	31	-1.0	-45.03	295.56	0.39	-44.64
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699513	0	40	-1.0	-48.73	332.85	3.40	-45.33
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699513	1	40	-1.0	-48.73	332.91	3.42	-45.31
O=C(CCC1=NN=C(C2CC2)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699514	0	39	-1.0	-48.37	331.09	-1.34	-49.71
O=C(CCC1=NN=C(C2CC2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699514	1	39	-1.0	-48.35	331.15	-1.32	-49.67
CC(C)N1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C2CCOCC2)=N1	REAL300019699515	0	51	-1.0	-47.67	400.19	2.81	-44.86
CC(C)N1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C2CCOCC2)=N1	REAL300019699515	1	51	-1.0	-47.67	400.25	2.84	-44.83
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699516	0	49	-1.0	-48.53	392.97	-1.06	-49.59
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699516	1	49	-1.0	-48.51	393.03	-1.04	-49.55
CC(=O)NC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=N1	REAL300019699517	0	37	-1.0	-50.46	312.03	0.82	-49.64
CC(=O)NC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=N1	REAL300019699517	1	37	-1.0	-50.48	311.97	0.79	-49.69
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699518	0	51	-1.0	-45.17	391.85	4.78	-40.39
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699518	1	51	-1.0	-45.17	391.90	4.80	-40.37
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699519	0	40	-1.0	-52.80	339.39	5.34	-47.46
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699519	1	40	-1.0	-52.81	339.34	5.31	-47.50
O=C(C1=NC=C2C(F)=CC=CN21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699520	0	34	-1.0	-46.38	292.15	3.68	-42.70
O=C(C1=NC=C2C(F)=CC=CN21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699520	1	34	-1.0	-46.38	292.09	3.65	-42.73
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699521	0	38	-1.0	-51.44	339.50	3.95	-47.49
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699521	1	38	-1.0	-51.40	339.56	3.97	-47.43
O=C(C=CC=C(Cl)Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699522	0	29	-1.0	-46.75	281.81	2.50	-44.25
O=C(C=CC=C(Cl)Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699522	1	29	-1.0	-46.73	281.87	2.53	-44.20
CN1CCCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL300019699523	0	41	-1.0	-52.82	314.97	1.44	-51.38
CN1CCCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL300019699523	1	41	-1.0	-52.83	315.03	1.46	-51.37
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699524	0	39	-1.0	-50.57	335.95	2.40	-48.17
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699524	1	39	-1.0	-50.59	336.00	2.43	-48.16
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699525	0	42	-1.0	-49.31	340.76	-1.41	-50.72
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699525	1	42	-1.0	-49.30	340.81	-1.38	-50.68
NC1=C2N=CN(CCC(=O)N3CCOC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300019699526	0	40	-1.0	-49.86	339.74	2.66	-47.20
NC1=C2N=CN(CCC(=O)N3CCOC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300019699526	1	40	-1.0	-49.86	339.68	2.64	-47.22
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699527	0	36	-1.0	-43.53	320.37	-1.27	-44.80
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699527	1	36	-1.0	-43.51	320.42	-1.24	-44.75
O=C(C1=CNN=C1I)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699528	0	28	-1.0	-48.34	268.40	-0.40	-48.74
O=C(C1=CNN=C1I)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699528	1	28	-1.0	-48.30	268.46	-0.38	-48.68
O=C(CC=CCC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699529	0	41	-1.0	-48.48	341.76	5.49	-42.99
O=C(CC=CCC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699529	1	41	-1.0	-48.49	341.81	5.51	-42.98
CC1=CC=C(NC2=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)N=CS2)C=C1	REAL300019699530	0	42	-1.0	-43.45	355.09	3.69	-39.76
CC1=CC=C(NC2=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)N=CS2)C=C1	REAL300019699530	1	42	-1.0	-43.50	355.03	3.67	-39.83
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2=CC=NC=C2)CCC1	REAL300019699531	0	40	-1.0	-47.50	316.47	2.68	-44.82
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2=CC=NC=C2)CCC1	REAL300019699531	1	40	-1.0	-47.51	316.52	2.71	-44.80
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699532	0	34	-1.0	-44.05	303.37	-2.87	-46.92
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699532	1	34	-1.0	-44.07	303.43	-2.85	-46.92
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699533	0	53	-1.0	-45.84	400.73	0.91	-44.93
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699533	1	53	-1.0	-45.79	400.79	0.93	-44.86
C#CCN(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019699534	0	46	-1.0	-54.68	375.62	3.71	-50.97
C#CCN(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019699534	1	46	-1.0	-54.67	375.67	3.74	-50.93
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699535	0	43	-1.0	-43.82	373.23	4.47	-39.35
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699535	1	43	-1.0	-43.82	373.17	4.44	-39.38
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=N2)CC1	REAL300019699536	0	37	-1.0	-45.01	309.75	2.72	-42.29
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=N2)CC1	REAL300019699536	1	37	-1.0	-45.03	309.69	2.69	-42.34
O=C(CC1CCCS1(=O)=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699537	0	37	-1.0	-63.60	307.64	-0.88	-64.48
O=C(CC1CCCS1(=O)=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699537	1	37	-1.0	-63.61	307.70	-0.85	-64.46
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699538	0	40	-1.0	-45.75	344.85	3.84	-41.91
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699538	1	40	-1.0	-45.81	344.91	3.86	-41.95
CC1=CC=C(C(=O)C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699539	0	40	-1.0	-44.89	338.89	4.30	-40.59
CC1=CC=C(C(=O)C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699539	1	40	-1.0	-44.90	338.94	4.33	-40.57
CC1=CN(C(C)(C)C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699540	0	40	-1.0	-46.08	308.47	2.79	-43.29
CC1=CN(C(C)(C)C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699540	1	40	-1.0	-46.10	308.53	2.82	-43.28
O=C(C1=CC=C2NC=NC2=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699541	0	34	-1.0	-47.87	293.57	1.95	-45.92
O=C(C1=CC=C2NC=NC2=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699541	1	34	-1.0	-47.88	293.63	1.97	-45.91
NC1=NN=NN1C1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699542	0	38	-1.0	-57.50	321.94	2.16	-55.34
NC1=NN=NN1C1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699542	1	38	-1.0	-57.48	321.88	2.13	-55.35
CC1=CC=CC=C1NC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=CS1	REAL300019699543	0	42	-1.0	-48.51	350.55	3.61	-44.90
CC1=CC=CC=C1NC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=CS1	REAL300019699543	1	42	-1.0	-48.49	350.50	3.59	-44.90
CCN1C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300019699544	0	34	-1.0	-42.82	300.40	2.00	-40.82
CCN1C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300019699544	1	34	-1.0	-42.80	300.35	1.97	-40.83
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699545	0	34	-1.0	-47.48	309.12	0.34	-47.14
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699545	1	34	-1.0	-47.47	309.18	0.36	-47.11
O=C(NC(CO)C(=O)N1CCOC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300019699546	0	46	-1.0	-48.27	386.65	-1.28	-49.55
O=C(NC(CO)C(=O)N1CCOC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300019699546	1	46	-1.0	-48.25	386.70	-1.26	-49.51
O=C(C1=CC=CN2N=NN=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699547	0	32	-1.0	-58.41	283.35	0.63	-57.78
O=C(C1=CC=CN2N=NN=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699547	1	32	-1.0	-58.41	283.30	0.61	-57.80
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699548	0	34	-1.0	-42.07	313.79	3.55	-38.52
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699548	1	34	-1.0	-42.06	313.73	3.54	-38.52
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCOC(C3=N[N-]N=N3)C1)=NO2	REAL300019699549	0	50	-1.0	-49.64	402.75	1.56	-48.08
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCOC(C3=NN=N[N-]3)C1)=NO2	REAL300019699549	1	50	-1.0	-49.63	402.81	1.58	-48.05
CN1N=C(I)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699550	0	31	-1.0	-41.46	287.07	0.96	-40.50
CN1N=C(I)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699550	1	31	-1.0	-41.50	287.02	0.94	-40.56
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C(C#N)C=C1	REAL300019699551	0	41	-1.0	-49.08	323.93	4.39	-44.69
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(C#N)C=C1	REAL300019699551	1	41	-1.0	-49.09	323.99	4.42	-44.67
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019699552	0	54	-1.0	-51.07	413.08	2.53	-48.54
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019699552	1	54	-1.0	-51.00	413.14	2.56	-48.44
CC(=CC1=CC=C(Br)O1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699553	0	35	-1.0	-44.48	317.61	3.27	-41.21
CC(=CC1=CC=C(Br)O1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699553	1	35	-1.0	-44.49	317.67	3.30	-41.19
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699554	0	41	-1.0	-46.02	363.16	3.10	-42.92
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699554	1	41	-1.0	-46.02	363.10	3.08	-42.94
O=CC1=CC=C(F)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699555	0	33	-1.0	-40.42	291.11	2.05	-38.37
O=CC1=CC=C(F)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699555	1	33	-1.0	-40.44	291.16	2.08	-38.36
O=CC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699556	0	36	-1.0	-51.88	309.46	3.00	-48.88
O=CC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699556	1	36	-1.0	-51.90	309.52	3.02	-48.88
O=CC1=CNC2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C12	REAL300019699557	0	37	-1.0	-54.19	315.15	2.06	-52.13
O=CC1=CNC2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC=C12	REAL300019699557	1	37	-1.0	-54.22	315.21	2.08	-52.14
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300019699558	0	50	-1.0	-52.42	412.57	6.84	-45.58
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300019699558	1	50	-1.0	-52.43	412.62	6.87	-45.56
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699559	0	47	-1.0	-43.72	389.20	5.85	-37.87
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699559	1	47	-1.0	-43.73	389.25	5.87	-37.86
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699560	0	47	-1.0	-44.09	391.41	6.14	-37.95
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699560	1	47	-1.0	-44.03	391.47	6.17	-37.86
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699561	0	50	-1.0	-52.55	416.96	7.00	-45.55
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699561	1	50	-1.0	-52.58	417.01	7.03	-45.55
O=CC1=CC(Br)=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699562	0	33	-1.0	-47.27	305.38	2.55	-44.72
O=CC1=CC(Br)=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699562	1	33	-1.0	-47.24	305.44	2.57	-44.67
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699563	0	38	-1.0	-49.99	316.29	-2.27	-52.26
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699563	1	38	-1.0	-50.00	316.23	-2.29	-52.29
O=C(N1CCOC(C2=N[N-]N=N2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019699564	0	42	-1.0	-50.05	330.23	1.99	-48.06
O=C(N1CCOC(C2=NN=N[N-]2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019699564	1	42	-1.0	-50.04	330.29	2.01	-48.03
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699565	0	47	-1.0	-48.09	392.03	0.76	-47.33
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699565	1	47	-1.0	-48.11	392.08	0.78	-47.33
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699566	0	41	-1.0	-48.70	341.64	3.24	-45.46
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699566	1	41	-1.0	-48.69	341.70	3.27	-45.42
O=C(C1=CN=C2SC=CC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699567	0	33	-1.0	-44.55	292.70	1.64	-42.91
O=C(C1=CN=C2SC=CC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699567	1	33	-1.0	-44.55	292.64	1.62	-42.93
O=C(CC(F)(F)C(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699568	0	30	-1.0	-47.93	276.09	1.60	-46.33
O=C(CC(F)(F)C(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699568	1	30	-1.0	-47.99	276.15	1.62	-46.37
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699569	0	33	-1.0	-43.87	301.66	1.73	-42.14
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699569	1	33	-1.0	-43.86	301.60	1.72	-42.14
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699570	0	45	-1.0	-57.06	376.42	1.67	-55.39
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699570	1	45	-1.0	-57.04	376.47	1.69	-55.35
O=C(C1=COC(C(F)(F)F)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699571	0	30	-1.0	-41.78	279.19	-0.70	-42.48
O=C(C1=COC(C(F)(F)F)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699571	1	30	-1.0	-41.74	279.13	-0.72	-42.46
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699572	0	33	-1.0	-41.46	305.85	2.24	-39.22
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699572	1	33	-1.0	-41.47	305.80	2.22	-39.25
COC1=CC=C(C=O)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699573	0	37	-1.0	-42.55	313.84	1.71	-40.84
COC1=CC=C(C=O)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699573	1	37	-1.0	-42.53	313.90	1.73	-40.80
O=CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300019699574	0	33	-1.0	-39.55	289.67	2.03	-37.52
O=CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300019699574	1	33	-1.0	-39.52	289.73	2.04	-37.48
O=C(C1=CSN=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699575	0	27	-1.0	-46.56	262.53	0.43	-46.13
O=C(C1=CSN=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699575	1	27	-1.0	-46.53	262.47	0.40	-46.13
CS(=O)(=O)N1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699576	0	36	-1.0	-50.33	312.09	-2.45	-52.78
CS(=O)(=O)N1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699576	1	36	-1.0	-50.32	312.14	-2.42	-52.74
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699577	0	41	-1.0	-47.72	353.47	5.44	-42.28
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699577	1	41	-1.0	-47.76	353.53	5.46	-42.30
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699578	0	44	-1.0	-46.64	367.18	4.64	-42.00
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699578	1	44	-1.0	-46.67	367.13	4.63	-42.04
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699579	0	43	-1.0	-43.61	368.60	1.83	-41.78
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699579	1	43	-1.0	-43.57	368.66	1.86	-41.71
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699580	0	42	-1.0	-48.45	330.79	2.50	-45.95
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699580	1	42	-1.0	-48.43	330.85	2.53	-45.90
CC1=NC(C2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)S2)=CS1	REAL300019699581	0	37	-1.0	-40.89	339.49	2.83	-38.06
CC1=NC(C2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)S2)=CS1	REAL300019699581	1	37	-1.0	-40.89	339.43	2.81	-38.08
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699582	0	47	-1.0	-51.15	391.14	4.83	-46.32
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699582	1	47	-1.0	-51.13	391.20	4.86	-46.27
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699583	0	45	-1.0	-52.43	360.91	5.26	-47.17
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699583	1	45	-1.0	-52.43	360.97	5.29	-47.14
CCC1=CC=C(F)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699584	0	37	-1.0	-44.21	306.09	3.63	-40.58
CCC1=CC=C(F)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699584	1	37	-1.0	-44.21	306.14	3.65	-40.56
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699585	0	43	-1.0	-55.02	352.53	-0.79	-55.81
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699585	1	43	-1.0	-55.02	352.59	-0.77	-55.79
COCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=CS1	REAL300019699586	0	35	-1.0	-40.25	305.89	1.02	-39.23
COCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CS1	REAL300019699586	1	35	-1.0	-40.20	305.94	1.05	-39.15
CN1C=CC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C21	REAL300019699587	0	38	-1.0	-47.79	314.66	3.95	-43.84
CN1C=CC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C21	REAL300019699587	1	38	-1.0	-47.79	314.72	3.97	-43.82
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019699588	0	43	-1.0	-49.73	346.84	4.37	-45.36
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019699588	1	43	-1.0	-49.68	346.78	4.34	-45.34
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2CCCCO2)CCC1	REAL300019699589	0	45	-1.0	-47.19	332.87	3.00	-44.19
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2CCCCO2)CCC1	REAL300019699589	1	45	-1.0	-47.20	332.93	3.01	-44.19
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019699590	0	43	-1.0	-49.82	347.31	5.06	-44.76
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019699590	1	43	-1.0	-49.79	347.37	5.08	-44.71
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019699591	0	42	-1.0	-56.85	345.95	3.66	-53.19
CC(C)(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019699591	1	42	-1.0	-56.91	345.89	3.64	-53.27
COC1=CC=C(F)C(OC)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699592	0	39	-1.0	-51.07	328.40	1.11	-49.96
COC1=CC=C(F)C(OC)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699592	1	39	-1.0	-51.08	328.46	1.13	-49.95
COC1=CC=NC(OC)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699593	0	38	-1.0	-51.72	322.07	-1.43	-53.15
COC1=CC=NC(OC)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699593	1	38	-1.0	-51.76	322.01	-1.45	-53.21
COC(=O)C1=NN(C)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699594	0	37	-1.0	-43.42	315.48	0.56	-42.86
COC(=O)C1=NN(C)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699594	1	37	-1.0	-43.42	315.43	0.53	-42.89
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C[C@H]1C	REAL300019699595	0	41	-1.0	-53.52	334.67	2.59	-50.93
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C[C@H]1C	REAL300019699595	1	41	-1.0	-53.53	334.72	2.62	-50.91
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699596	0	52	-1.0	-47.18	412.27	6.54	-40.64
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699596	1	52	-1.0	-47.24	412.32	6.56	-40.68
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699597	0	47	-1.0	-49.22	382.38	3.97	-45.25
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699597	1	47	-1.0	-49.23	382.44	3.99	-45.24
O=C(C=CC1=CC=C(Cl)S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699598	0	32	-1.0	-39.07	302.25	3.47	-35.60
O=C(C=CC1=CC=C(Cl)S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699598	1	32	-1.0	-39.02	302.30	3.50	-35.52
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699599	0	39	-1.0	-50.36	339.83	3.63	-46.73
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699599	1	39	-1.0	-50.37	339.89	3.66	-46.71
O=C(C1=NN(C2CCOCC2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699600	0	42	-1.0	-47.30	336.75	1.51	-45.79
O=C(C1=NN(C2CCOCC2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699600	1	42	-1.0	-47.31	336.69	1.49	-45.82
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCOC(C3=N[N-]N=N3)C1)OC2=O	REAL300019699601	0	44	-1.0	-46.48	334.72	3.16	-43.32
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCOC(C3=NN=N[N-]3)C1)OC2=O	REAL300019699601	1	44	-1.0	-46.50	334.77	3.19	-43.31
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699602	0	39	-1.0	-49.93	332.93	5.61	-44.32
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699602	1	39	-1.0	-49.91	332.99	5.63	-44.28
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C(C2=CC=CC=C2)O1	REAL300019699603	0	41	-1.0	-44.79	343.10	4.91	-39.88
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C(C2=CC=CC=C2)O1	REAL300019699603	1	41	-1.0	-44.79	343.16	4.94	-39.85
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699604	0	39	-1.0	-43.24	321.37	0.75	-42.49
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699604	1	39	-1.0	-43.21	321.43	0.77	-42.44
O=C(CC1CCC(F)(F)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699605	0	40	-1.0	-47.00	317.16	3.69	-43.31
O=C(CC1CCC(F)(F)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699605	1	40	-1.0	-46.95	317.21	3.71	-43.24
CC1=CN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300019699606	0	37	-1.0	-57.50	328.11	2.28	-55.22
CC1=CN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300019699606	1	37	-1.0	-57.44	328.05	2.26	-55.18
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699607	0	41	-1.0	-47.19	334.98	5.26	-41.93
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699607	1	41	-1.0	-47.20	335.04	5.28	-41.92
O=C(C1=C(C(F)F)N=CO1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699608	0	30	-1.0	-40.27	264.94	-1.87	-42.14
O=C(C1=C(C(F)F)N=CO1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699608	1	30	-1.0	-40.25	265.00	-1.84	-42.09
O=C(C1=CC=CC(C#CCO)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699609	0	37	-1.0	-52.30	321.27	1.03	-51.27
O=C(C1=CC=CC(C#CCO)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699609	1	37	-1.0	-52.29	321.33	1.05	-51.24
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699610	0	45	-1.0	-47.30	359.57	-3.24	-50.54
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699610	1	45	-1.0	-47.32	359.63	-3.22	-50.54
CC1=C(C=O)C(C)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N1	REAL300019699611	0	37	-1.0	-45.34	312.53	1.02	-44.32
CC1=C(C=O)C(C)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N1	REAL300019699611	1	37	-1.0	-45.34	312.59	1.04	-44.30
COC1=CC(CO)=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699612	0	39	-1.0	-43.75	323.48	-0.77	-44.52
COC1=CC(CO)=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699612	1	39	-1.0	-43.72	323.54	-0.74	-44.46
O=C(CC1CCN(CC(F)F)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699613	0	45	-1.0	-47.88	351.35	2.19	-45.69
O=C(CC1CCN(CC(F)F)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699613	1	45	-1.0	-47.89	351.41	2.21	-45.68
COC1=CC(OC)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1C=O	REAL300019699614	0	41	-1.0	-51.97	341.82	1.39	-50.58
COC1=CC(OC)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1C=O	REAL300019699614	1	41	-1.0	-51.95	341.88	1.42	-50.53
NC1=C2N=CN(CCCC(=O)N3CCOC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300019699615	0	43	-1.0	-58.31	361.24	3.47	-54.84
NC1=C2N=CN(CCCC(=O)N3CCOC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300019699615	1	43	-1.0	-58.31	361.18	3.44	-54.87
NC1=C2N=CN(CCCCC(=O)N3CCOC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300019699616	0	46	-1.0	-53.34	382.73	4.24	-49.10
NC1=C2N=CN(CCCCC(=O)N3CCOC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300019699616	1	46	-1.0	-53.35	382.67	4.21	-49.14
CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019699617	0	46	0.0	-42.10	323.87	3.30	-38.80
O=C(CC(O)COCC1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699618	0	45	-1.0	-55.23	372.97	1.94	-53.29
O=C(CC(O)COCC1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699618	1	45	-1.0	-55.23	373.02	1.97	-53.26
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699619	0	42	-1.0	-52.22	350.16	3.52	-48.70
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699619	1	42	-1.0	-52.25	350.21	3.54	-48.71
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699620	0	51	-1.0	-48.00	392.59	3.39	-44.61
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699620	1	51	-1.0	-48.01	392.65	3.41	-44.60
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699621	0	37	-1.0	-50.72	326.15	4.49	-46.23
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699621	1	37	-1.0	-50.70	326.10	4.47	-46.23
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019699622	0	41	-1.0	-61.35	341.32	0.54	-60.81
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019699622	1	41	-1.0	-61.34	341.37	0.57	-60.77
CC1CCC2=NC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CN2C1	REAL300019699623	0	41	-1.0	-48.06	326.69	3.89	-44.17
CC1CCC2=NC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CN2C1	REAL300019699623	1	41	-1.0	-48.06	326.75	3.91	-44.15
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699624	0	40	-1.0	-49.65	334.35	3.99	-45.66
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699624	1	40	-1.0	-49.63	334.40	4.01	-45.62
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699625	0	45	-1.0	-40.16	369.20	7.18	-32.98
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699625	1	45	-1.0	-40.15	369.25	7.21	-32.94
CC1=NC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019699626	0	34	-1.0	-46.93	302.26	1.75	-45.18
CC1=NC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019699626	1	34	-1.0	-46.92	302.31	1.78	-45.14
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699627	0	41	-1.0	-49.50	334.31	1.62	-47.88
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699627	1	41	-1.0	-49.49	334.25	1.60	-47.89
O=C(C1=CC=NC2=CC=NN21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699628	0	33	-1.0	-50.81	288.41	1.18	-49.63
O=C(C1=CC=NC2=CC=NN21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699628	1	33	-1.0	-50.80	288.35	1.16	-49.64
NC(=O)C1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699629	0	37	-1.0	-52.88	318.05	-1.64	-54.52
NC(=O)C1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699629	1	37	-1.0	-52.88	317.99	-1.67	-54.55
O=C(C1=NC2=CC=NN2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699630	0	33	-1.0	-44.35	283.18	2.04	-42.31
O=C(C1=NC2=CC=NN2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699630	1	33	-1.0	-44.38	283.12	2.01	-42.37
CC1=C(C)C(=O)N(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1=O	REAL300019699631	0	41	-1.0	-50.04	349.08	1.90	-48.14
CC1=C(C)C(=O)N(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1=O	REAL300019699631	1	41	-1.0	-50.05	349.14	1.93	-48.12
O=C(C1CC2CSCC(C1)C2=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699632	0	41	-1.0	-47.84	318.34	2.90	-44.94
O=C(C1CC2CSCC(C1)C2=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699632	1	41	-1.0	-47.82	318.39	2.92	-44.90
CCOC(=O)C1CCCN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699633	0	48	-1.0	-52.37	378.57	2.21	-50.16
CCOC(=O)C1CCCN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699633	1	48	-1.0	-52.37	378.62	2.23	-50.14
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699633	1	49	0.0	-67.40	380.18	4.41	-62.99
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699633	1	49	0.0	-67.41	380.15	4.38	-63.03
CCC(C)C(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C=CC=C1C=O	REAL300019699634	0	46	-1.0	-44.70	361.69	4.55	-40.15
CCC(C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C=CC=C1C=O	REAL300019699634	1	46	-1.0	-44.72	361.75	4.58	-40.14
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699635	0	51	0.0	-75.79	373.14	3.10	-72.69
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699635	1	51	0.0	-75.79	373.20	3.13	-72.66
O=C(C1CCC(N2CCOCC2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699635	1	50	-1.0	-47.04	370.40	0.87	-46.17
O=C(C1CCC(N2CCOCC2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699635	1	50	-1.0	-47.05	370.46	0.89	-46.16
CC1=NNC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300019699636	0	34	-1.0	-42.33	300.69	0.20	-42.13
CC1=NNC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300019699636	1	34	-1.0	-42.37	300.75	0.23	-42.14
O=CC1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019699637	0	37	-1.0	-52.08	318.13	3.48	-48.60
O=CC1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019699637	1	37	-1.0	-52.06	318.19	3.50	-48.56
O=CC1=CC(F)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1F	REAL300019699638	0	33	-1.0	-39.04	296.60	2.10	-36.94
O=CC1=CC(F)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1F	REAL300019699638	1	33	-1.0	-39.01	296.65	2.13	-36.88
CN1CCOC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C21	REAL300019699639	0	41	-1.0	-46.85	327.58	0.88	-45.97
CN1CCOC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C21	REAL300019699639	1	41	-1.0	-46.84	327.64	0.90	-45.94
CC1CCN2C=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)N=C2C1	REAL300019699640	0	41	-1.0	-48.25	326.69	3.90	-44.35
CC1CCN2C=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)N=C2C1	REAL300019699640	1	41	-1.0	-48.21	326.74	3.93	-44.28
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699641	0	47	0.0	-68.47	333.88	1.57	-66.90
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699641	1	47	0.0	-68.48	333.93	1.60	-66.88
CC(C)(CN1CCOCC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699641	1	46	-1.0	-38.54	337.22	0.22	-38.32
CC(C)(CN1CCOCC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699641	1	46	-1.0	-38.50	337.28	0.24	-38.26
CN1CC[N@H+](C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699642	0	45	0.0	-64.26	328.02	0.88	-63.38
CN1CC[N@@H+](C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699642	1	45	0.0	-54.83	331.98	0.89	-53.94
CN1CC[N@H+](C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699642	1	45	0.0	-64.28	328.08	0.90	-63.38
CN1CC[N@@H+](C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699642	1	45	0.0	-54.87	332.04	0.91	-53.96
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702202	0	33	-1.0	-40.29	314.44	2.52	-37.77
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702202	1	33	-1.0	-40.24	314.39	2.50	-37.74
O=C(C1CCC(=O)N(C2CC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702203	0	42	-1.0	-40.20	331.76	2.17	-38.03
O=C(C1CCC(=O)N(C2CC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702203	1	42	-1.0	-40.19	331.81	2.18	-38.01
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702204	0	47	-1.0	-49.37	370.20	2.12	-47.25
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702204	1	47	-1.0	-49.34	370.26	2.14	-47.20
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702205	0	44	-1.0	-51.08	358.08	3.76	-47.32
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702205	1	44	-1.0	-51.07	358.14	3.78	-47.29
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702206	0	38	-1.0	-47.26	334.05	5.07	-42.19
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702206	1	38	-1.0	-47.22	334.11	5.10	-42.12
N#CC1=CN=C(Cl)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702207	0	31	-1.0	-47.27	292.83	1.24	-46.03
N#CC1=CN=C(Cl)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702207	1	31	-1.0	-47.29	292.77	1.21	-46.08
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702208	0	36	-1.0	-50.88	301.69	0.64	-50.24
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702208	1	36	-1.0	-50.88	301.75	0.65	-50.23
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702209	0	41	-1.0	-50.05	336.36	1.82	-48.23
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702209	1	41	-1.0	-50.09	336.41	1.85	-48.24
CCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300019702210	0	37	-1.0	-43.60	316.22	4.02	-39.58
CCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300019702210	1	37	-1.0	-43.59	316.28	4.05	-39.54
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702211	0	45	-1.0	-46.16	364.24	1.25	-44.91
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702211	1	45	-1.0	-46.14	364.18	1.22	-44.92
O=C(C1=CC=C(CC2CC2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702212	0	41	-1.0	-45.59	336.20	5.25	-40.34
O=C(C1=CC=C(CC2CC2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702212	1	41	-1.0	-45.58	336.26	5.27	-40.31
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702213	0	33	-1.0	-40.03	310.43	3.43	-36.60
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702213	1	33	-1.0	-40.04	310.37	3.40	-36.64
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702214	0	34	-1.0	-45.01	309.47	3.19	-41.82
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702214	1	34	-1.0	-45.00	309.52	3.21	-41.79
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702215	0	33	-1.0	-42.71	308.43	2.34	-40.37
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702215	1	33	-1.0	-42.71	308.37	2.32	-40.39
N#CC1=CC=C(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300019702216	0	38	-1.0	-48.97	333.90	4.51	-44.46
N#CC1=CC=C(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300019702216	1	38	-1.0	-49.00	333.96	4.53	-44.47
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702217	0	37	-1.0	-49.11	318.34	-0.43	-49.54
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702217	1	37	-1.0	-49.17	318.40	-0.41	-49.58
O=C(C1=CN=C2CCCCC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702218	0	40	-1.0	-44.25	318.54	2.81	-41.44
O=C(C1=CN=C2CCCCC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702218	1	40	-1.0	-44.22	318.59	2.84	-41.38
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702219	0	39	-1.0	-45.50	327.80	4.23	-41.27
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702219	1	39	-1.0	-45.49	327.86	4.25	-41.24
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702220	0	41	-1.0	-43.59	333.92	5.26	-38.33
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702220	1	41	-1.0	-43.58	333.98	5.28	-38.30
COCCN1C=CC2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019702221	0	45	-1.0	-48.66	371.10	3.98	-44.68
COCCN1C=CC2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019702221	1	45	-1.0	-48.62	371.15	3.99	-44.63
CC(C)N1C=CC2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019702222	0	44	-1.0	-48.59	355.45	5.38	-43.21
CC(C)N1C=CC2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019702222	1	44	-1.0	-48.65	355.51	5.40	-43.25
O=C(C=CC1=CC=C2OCOC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702223	0	38	-1.0	-49.83	321.02	2.45	-47.38
O=C(C=CC1=CC=C2OCOC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702223	1	38	-1.0	-49.87	321.07	2.47	-47.40
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702224	0	36	-1.0	-45.41	320.80	3.26	-42.15
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702224	1	36	-1.0	-45.43	320.74	3.23	-42.20
O=C(C1=CC=CC2=NN=CN21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702225	0	33	-1.0	-50.23	286.18	3.41	-46.82
O=C(C1=CC=CC2=NN=CN21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702225	1	33	-1.0	-50.24	286.13	3.39	-46.85
C=CCOCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300019702226	0	47	-1.0	-43.48	355.70	3.59	-39.89
C=CCOCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300019702226	1	47	-1.0	-43.52	355.76	3.62	-39.90
CC12CCCN1S(=O)(=O)C(C(=O)N1CCOC(C3=N[N-]N=N3)C1)C2	REAL300019702227	0	43	-1.0	-56.31	333.74	-0.39	-56.70
CC12CCCN1S(=O)(=O)C(C(=O)N1CCOC(C3=NN=N[N-]3)C1)C2	REAL300019702227	1	43	-1.0	-56.30	333.80	-0.37	-56.67
CN1N=CC(C(F)F)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702228	0	34	-1.0	-45.64	300.11	0.94	-44.70
CN1N=CC(C(F)F)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702228	1	34	-1.0	-45.59	300.05	0.91	-44.68
CC1=NN(C2CCC2)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702229	0	41	-1.0	-44.25	328.67	2.79	-41.46
CC1=NN(C2CCC2)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702229	1	41	-1.0	-44.24	328.73	2.82	-41.42
O=C(C1=CC=NN1CCC(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702230	0	37	-1.0	-44.35	320.21	2.02	-42.33
O=C(C1=CC=NN1CCC(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702230	1	37	-1.0	-44.33	320.15	1.99	-42.34
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702231	0	42	-1.0	-48.54	357.53	4.52	-44.02
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702231	1	42	-1.0	-48.54	357.59	4.54	-44.00
CC1(C)CCCOC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702232	0	44	-1.0	-48.58	329.92	3.00	-45.58
CC1(C)CCCOC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702232	1	44	-1.0	-48.56	329.98	3.02	-45.54
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702233	0	37	-1.0	-42.99	332.63	1.38	-41.61
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702233	1	37	-1.0	-43.03	332.68	1.40	-41.63
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702234	0	35	-1.0	-37.49	317.25	4.32	-33.17
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702234	1	35	-1.0	-37.52	317.31	4.35	-33.17
CC(=O)NC(COC(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702235	0	44	-1.0	-52.70	350.82	0.43	-52.27
CC(=O)NC(COC(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702235	1	44	-1.0	-52.67	350.88	0.46	-52.21
CC1(C)OCC(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL300019702236	0	42	-1.0	-46.83	337.72	1.47	-45.36
CC1(C)OCC(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019702236	1	42	-1.0	-46.84	337.77	1.50	-45.34
CCCCOC1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019702237	0	48	-1.0	-40.26	389.29	5.58	-34.68
CCCCOC1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019702237	1	48	-1.0	-40.26	389.34	5.61	-34.65
COC1=CC2=CC=C(CC(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300019702238	0	44	-1.0	-50.86	361.65	4.83	-46.03
COC1=CC2=CC=C(CC(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300019702238	1	44	-1.0	-50.83	361.71	4.85	-45.98
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702239	0	49	-1.0	-44.87	363.17	5.90	-38.97
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702239	1	49	-1.0	-44.84	363.22	5.93	-38.91
COC1=CC=C(Br)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C	REAL300019702240	0	38	-1.0	-46.37	333.38	2.85	-43.52
COC1=CC=C(Br)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C	REAL300019702240	1	38	-1.0	-46.37	333.43	2.87	-43.50
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702241	0	37	-1.0	-44.83	326.50	0.14	-44.69
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702241	1	37	-1.0	-44.85	326.56	0.17	-44.68
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702242	0	41	-1.0	-60.40	354.40	1.86	-58.54
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702242	1	41	-1.0	-60.43	354.46	1.88	-58.55
CC12CCC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)(CC1)OC2	REAL300019702243	0	42	-1.0	-44.83	315.06	2.14	-42.69
CC12CCC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)(CC1)OC2	REAL300019702243	1	42	-1.0	-44.82	315.12	2.16	-42.66
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702244	0	31	-1.0	-41.22	292.41	2.89	-38.33
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702244	1	31	-1.0	-41.24	292.47	2.92	-38.32
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702245	0	37	-1.0	-50.16	323.18	3.24	-46.92
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702245	1	37	-1.0	-50.18	323.23	3.26	-46.92
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702246	0	36	-1.0	-44.79	311.83	2.75	-42.04
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702246	1	36	-1.0	-44.83	311.77	2.73	-42.10
COC(=O)C1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019702247	0	40	-1.0	-49.88	345.58	2.61	-47.27
COC(=O)C1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019702247	1	40	-1.0	-49.89	345.64	2.63	-47.26
CC1=C(C)NC(=O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702248	0	37	-1.0	-49.87	309.48	0.48	-49.39
CC1=C(C)NC(=O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702248	1	37	-1.0	-49.88	309.53	0.50	-49.38
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702249	0	40	-1.0	-47.85	342.03	4.78	-43.07
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702249	1	40	-1.0	-47.84	342.08	4.81	-43.03
CC(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(F)=C1	REAL300019702250	0	40	-1.0	-46.34	333.73	4.63	-41.71
CC(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(F)=C1	REAL300019702250	1	40	-1.0	-46.34	333.79	4.65	-41.69
CC(C)(C)N1C=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019702251	0	43	-1.0	-51.55	349.06	3.11	-48.44
CC(C)(C)N1C=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019702251	1	43	-1.0	-51.52	349.00	3.09	-48.43
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702252	0	38	-1.0	-47.87	326.77	2.36	-45.51
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702252	1	38	-1.0	-47.85	326.83	2.38	-45.47
CC1=CC=C(C2(C(=O)N3CCOC(C4=N[N-]N=N4)C3)CC2)C(F)=C1	REAL300019702253	0	41	-1.0	-51.93	338.99	4.92	-47.01
CC1=CC=C(C2(C(=O)N3CCOC(C4=NN=N[N-]4)C3)CC2)C(F)=C1	REAL300019702253	1	41	-1.0	-51.90	339.05	4.95	-46.95
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019702254	0	31	-2.0	-92.30	290.98	1.67	-90.63
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019702254	1	31	-2.0	-92.26	291.04	1.69	-90.57
CCCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=NN1CC	REAL300019702255	0	42	-1.0	-47.49	340.56	2.01	-45.48
CCCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=NN1CC	REAL300019702255	1	42	-1.0	-47.52	340.62	2.04	-45.48
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SC(C2=NNC=N2)=N1	REAL300019702256	0	39	-1.0	-49.43	341.03	1.57	-47.86
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SC(C2=NNC=N2)=N1	REAL300019702256	1	39	-1.0	-49.40	341.09	1.59	-47.81
O=C(NC1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1CCCCC1	REAL300019702257	0	50	-1.0	-45.05	388.59	4.38	-40.67
O=C(NC1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300019702257	1	50	-1.0	-45.04	388.65	4.40	-40.64
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702258	0	40	-1.0	-47.92	351.93	3.42	-44.50
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702258	1	40	-1.0	-47.93	351.87	3.40	-44.53
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702259	0	34	-1.0	-44.35	309.32	2.49	-41.86
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702259	1	34	-1.0	-44.32	309.38	2.52	-41.80
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702260	0	41	-1.0	-48.18	338.57	3.27	-44.91
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702260	1	41	-1.0	-48.19	338.63	3.29	-44.90
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702261	0	43	-1.0	-49.07	359.48	0.95	-48.12
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702261	1	43	-1.0	-49.05	359.54	0.97	-48.08
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702262	0	44	-1.0	-48.45	372.56	4.85	-43.60
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702262	1	44	-1.0	-48.45	372.62	4.87	-43.58
CC1=NNC2=C1CC(C(=O)N1CCOC(C3=N[N-]N=N3)C1)CC2	REAL300019702263	0	41	-1.0	-49.77	322.19	1.58	-48.19
CC1=NNC2=C1CC(C(=O)N1CCOC(C3=NN=N[N-]3)C1)CC2	REAL300019702263	1	41	-1.0	-49.73	322.25	1.60	-48.13
CC1=C2CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)CCC2=NN1	REAL300019702263	1	41	-1.0	-47.80	321.78	1.58	-46.22
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702264	0	42	-1.0	-51.26	346.02	2.45	-48.81
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702264	1	42	-1.0	-51.25	346.08	2.48	-48.77
CSC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300019702265	0	37	-1.0	-44.87	325.54	3.82	-41.05
CSC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300019702265	1	37	-1.0	-44.83	325.59	3.83	-41.00
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702266	0	41	-1.0	-53.29	329.01	3.81	-49.48
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702266	1	41	-1.0	-53.27	329.06	3.84	-49.43
C=C1CCC1(C(=O)OC)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702267	0	38	-1.0	-43.55	313.35	2.32	-41.23
C=C1CCC1(C(=O)OC)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702267	1	38	-1.0	-43.60	313.41	2.34	-41.26
NS(=O)(=O)C1=COC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702268	0	33	-1.0	-44.63	299.01	-4.61	-49.24
NS(=O)(=O)C1=COC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702268	1	33	-1.0	-44.56	299.07	-4.58	-49.14
N#CC1=CC2=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=NN2C=C1	REAL300019702269	0	35	-1.0	-50.95	310.63	2.44	-48.51
N#CC1=CC2=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=NN2C=C1	REAL300019702269	1	35	-1.0	-50.98	310.57	2.42	-48.56
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702270	0	37	-1.0	-46.80	339.34	4.53	-42.27
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702270	1	37	-1.0	-46.83	339.29	4.51	-42.32
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702271	0	41	-1.0	-47.82	346.49	3.53	-44.29
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702271	1	41	-1.0	-47.82	346.55	3.54	-44.28
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702272	0	45	-1.0	-55.91	362.13	1.27	-54.64
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702272	1	45	-1.0	-55.96	362.19	1.29	-54.67
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702273	0	35	-1.0	-44.13	312.16	1.38	-42.75
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702273	1	35	-1.0	-44.18	312.22	1.41	-42.77
O=C(C1=CN2N=NC=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702274	0	33	-1.0	-44.30	287.97	0.91	-43.39
O=C(C1=CN2N=NC=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702274	1	33	-1.0	-44.30	287.91	0.88	-43.42
C[C@@H]1CC2=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)NN=C2[C@H](C)O1	REAL300019702275	0	42	-1.0	-41.82	341.62	0.36	-41.46
C[C@@H]1CC2=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)NN=C2[C@H](C)O1	REAL300019702275	1	42	-1.0	-41.78	341.68	0.38	-41.40
C[C@@H]1CC2=C(NN=C2C(=O)N2CCOC(C3=NN=N[N-]3)C2)[C@H](C)O1	REAL300019702275	1	42	-1.0	-47.31	336.09	0.81	-46.50
C[C@@H]1CC2=C(NN=C2C(=O)N2CCOC(C3=N[N-]N=N3)C2)[C@H](C)O1	REAL300019702275	1	42	-1.0	-47.34	336.03	0.79	-46.55
O=C(CCC1=C(Br)C=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702276	0	34	-1.0	-45.31	317.30	3.72	-41.59
O=C(CCC1=C(Br)C=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702276	1	34	-1.0	-45.30	317.36	3.75	-41.55
O=C(CCNC1=CN=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702277	0	37	-1.0	-50.55	311.16	0.29	-50.26
O=C(CCNC1=CN=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702277	1	37	-1.0	-50.58	311.10	0.26	-50.32
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702278	0	37	-1.0	-53.77	329.54	3.40	-50.37
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702278	1	37	-1.0	-53.77	329.59	3.43	-50.34
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702278	1	37	-1.0	-52.47	329.38	3.40	-49.07
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702278	1	37	-1.0	-52.47	329.44	3.43	-49.04
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019702279	0	52	-1.0	-50.75	396.63	5.37	-45.38
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019702279	1	52	-1.0	-50.68	396.69	5.39	-45.29
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702280	0	40	-1.0	-49.33	341.44	3.93	-45.40
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702280	1	40	-1.0	-49.37	341.38	3.90	-45.47
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702281	0	38	-1.0	-49.67	334.99	3.81	-45.86
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702281	1	38	-1.0	-49.67	334.93	3.79	-45.88
O=C(C1CCCC(F)(F)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702282	0	40	-1.0	-49.75	302.96	3.00	-46.75
O=C(C1CCCC(F)(F)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702282	1	40	-1.0	-49.77	303.02	3.02	-46.75
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702283	0	38	-1.0	-49.40	314.47	1.79	-47.61
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702283	1	38	-1.0	-49.43	314.53	1.82	-47.61
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702284	0	39	-1.0	-57.60	331.62	3.94	-53.66
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702284	1	39	-1.0	-57.62	331.67	3.97	-53.65
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702285	0	38	-1.0	-48.13	323.13	4.48	-43.65
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702285	1	38	-1.0	-48.13	323.19	4.50	-43.63
O=C(CCCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1	REAL300019702286	0	50	-1.0	-57.77	405.60	4.70	-53.07
O=C(CCCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1	REAL300019702286	1	50	-1.0	-57.71	405.66	4.72	-52.99
O=C(C1CCC2=CC=NN2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702287	0	38	-1.0	-46.80	306.88	1.75	-45.05
O=C(C1CCC2=CC=NN2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702287	1	38	-1.0	-46.75	306.93	1.77	-44.98
O=C(C1=C2C=NSC2=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702288	0	33	-1.0	-48.08	293.76	2.40	-45.68
O=C(C1=C2C=NSC2=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702288	1	33	-1.0	-48.11	293.70	2.37	-45.74
O=C(C1=CC=CC2=NON=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702289	0	32	-1.0	-55.51	276.07	1.04	-54.47
O=C(C1=CC=CC2=NON=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702289	1	32	-1.0	-55.48	276.01	1.02	-54.46
CS(=O)(=O)C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300019702290	0	37	-1.0	-52.96	337.23	0.28	-52.68
CS(=O)(=O)C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300019702290	1	37	-1.0	-52.94	337.29	0.30	-52.64
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702291	0	37	-1.0	-46.62	334.62	4.23	-42.39
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702291	1	37	-1.0	-46.63	334.67	4.25	-42.38
NC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C(F)C(Br)=C1F	REAL300019702292	0	33	-1.0	-40.13	306.85	1.10	-39.03
NC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C(F)C(Br)=C1F	REAL300019702292	1	33	-1.0	-40.09	306.91	1.12	-38.97
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC(C2CC2)=NO1	REAL300019702293	0	39	-1.0	-44.39	317.08	2.04	-42.35
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC(C2CC2)=NO1	REAL300019702293	1	39	-1.0	-44.38	317.13	2.07	-42.31
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NO1	REAL300019702294	0	47	-1.0	-43.72	385.56	0.73	-42.99
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NO1	REAL300019702294	1	47	-1.0	-43.72	385.61	0.76	-42.96
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702295	0	36	-1.0	-40.01	315.61	3.29	-36.72
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702295	1	36	-1.0	-40.01	315.67	3.31	-36.70
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019702296	0	38	-1.0	-49.42	321.18	4.25	-45.17
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019702296	1	38	-1.0	-49.44	321.24	4.27	-45.17
CN(C)C1=CC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300019702297	0	45	-1.0	-47.59	359.40	4.88	-42.71
CN(C)C1=CC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300019702297	1	45	-1.0	-47.59	359.46	4.90	-42.69
COC1(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019702298	0	52	-1.0	-55.33	408.28	2.42	-52.91
COC1(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019702298	1	52	-1.0	-55.29	408.34	2.43	-52.86
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(CC2=NNN=C2)CCCC1	REAL300019702299	0	43	-1.0	-54.19	330.56	1.06	-53.13
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(CC2=NNN=C2)CCCC1	REAL300019702299	1	43	-1.0	-54.12	330.62	1.08	-53.04
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702300	0	52	-1.0	-45.87	399.68	4.43	-41.44
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702300	1	52	-1.0	-45.89	399.62	4.41	-41.48
C#CC1=CC=C(C2CC2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019702301	0	40	-1.0	-51.01	332.49	5.68	-45.33
C#CC1=CC=C(C2CC2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019702301	1	40	-1.0	-50.99	332.55	5.71	-45.28
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=N1	REAL300019702302	0	39	-1.0	-48.21	325.81	3.33	-44.88
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=N1	REAL300019702302	1	39	-1.0	-48.20	325.87	3.36	-44.84
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2CCC2)CC1(F)F	REAL300019702303	0	38	-1.0	-43.16	299.92	2.93	-40.23
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2CCC2)CC1(F)F	REAL300019702303	1	38	-1.0	-43.13	299.98	2.96	-40.17
CN1N=CC2=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300019702304	0	43	-1.0	-45.59	355.59	3.39	-42.20
CN1N=CC2=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300019702304	1	43	-1.0	-45.60	355.65	3.42	-42.18
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019702305	0	41	-1.0	-46.71	327.03	3.70	-43.01
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019702305	1	41	-1.0	-46.74	327.09	3.71	-43.03
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702306	0	51	-1.0	-56.24	393.91	1.71	-54.53
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702306	1	51	-1.0	-56.21	393.97	1.74	-54.47
COC1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300019702307	0	47	-1.0	-52.42	387.83	3.01	-49.41
COC1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300019702307	1	47	-1.0	-52.43	387.89	3.04	-49.39
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702308	0	47	-1.0	-51.70	369.13	2.01	-49.69
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702308	1	47	-1.0	-51.65	369.19	2.03	-49.62
CC(C)(C)OC(=O)NCC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300019702309	0	57	-1.0	-47.38	425.45	2.45	-44.93
CC(C)(C)OC(=O)NCC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300019702309	1	57	-1.0	-47.36	425.51	2.47	-44.89
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)(C2CC2)C1	REAL300019702310	0	55	-1.0	-52.13	408.37	3.81	-48.32
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)(C2CC2)C1	REAL300019702310	1	55	-1.0	-52.12	408.43	3.83	-48.29
O=C(C1=C2C(=O)NCCN2N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702311	0	36	-1.0	-57.91	301.18	-1.49	-59.40
O=C(C1=C2C(=O)NCCN2N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702311	1	36	-1.0	-57.94	301.13	-1.51	-59.45
CC=CC1=CC=C(OCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300019702312	0	46	-1.0	-54.29	377.12	4.93	-49.36
CC=CC1=CC=C(OCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300019702312	1	46	-1.0	-54.31	377.18	4.95	-49.36
O=C(C1CC(=O)CC12CCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702313	0	40	-1.0	-45.68	311.10	2.96	-42.72
O=C(C1CC(=O)CC12CCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702313	1	40	-1.0	-45.66	311.15	2.98	-42.68
CC1=CNC2=NC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C12	REAL300019702314	0	37	-1.0	-47.34	309.91	2.13	-45.21
CC1=CNC2=NC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C12	REAL300019702314	1	37	-1.0	-47.35	309.96	2.15	-45.20
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019702315	0	55	-1.0	-52.41	422.12	2.42	-49.99
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019702315	1	55	-1.0	-52.42	422.18	2.45	-49.97
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702316	0	55	-1.0	-49.25	403.83	3.74	-45.51
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702316	1	55	-1.0	-49.28	403.88	3.77	-45.51
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702317	0	38	-1.0	-47.98	325.66	0.93	-47.05
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702317	1	38	-1.0	-47.97	325.72	0.95	-47.02
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702318	0	48	-1.0	-46.65	372.98	5.05	-41.60
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702318	1	48	-1.0	-46.64	373.04	5.07	-41.57
CC1=NN=C(CC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2)O1	REAL300019702319	0	42	-1.0	-52.14	356.58	-0.36	-52.50
CC1=NN=C(CC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2)O1	REAL300019702319	1	42	-1.0	-52.09	356.64	-0.34	-52.43
O=C(C1CC2=CC=CN=C2C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702320	0	37	-1.0	-50.36	297.57	2.31	-48.05
O=C(C1CC2=CC=CN=C2C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702320	1	37	-1.0	-50.36	297.63	2.33	-48.03
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702321	0	37	-1.0	-46.28	325.54	5.01	-41.27
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702321	1	37	-1.0	-46.25	325.59	5.03	-41.22
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702322	0	43	-1.0	-48.45	354.94	5.94	-42.51
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702322	1	43	-1.0	-48.43	354.99	5.97	-42.46
CC1=CC2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CN=C2C(F)=C1	REAL300019702323	0	39	-1.0	-48.48	329.75	3.38	-45.10
CC1=CC2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CN=C2C(F)=C1	REAL300019702323	1	39	-1.0	-48.46	329.69	3.37	-45.09
CN1C=C(C2=NC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CO2)C=N1	REAL300019702324	0	37	-1.0	-48.25	322.48	-0.31	-48.56
CN1C=C(C2=NC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CO2)C=N1	REAL300019702324	1	37	-1.0	-48.31	322.42	-0.34	-48.65
COC1=C2C=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)NC2=C(C)C=C1	REAL300019702325	0	42	-1.0	-47.40	342.76	2.65	-44.75
COC1=C2C=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)NC2=C(C)C=C1	REAL300019702325	1	42	-1.0	-47.39	342.82	2.67	-44.72
CCCCOC1=CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019702326	0	47	-1.0	-48.70	380.55	5.09	-43.61
CCCCOC1=CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019702326	1	47	-1.0	-48.70	380.61	5.12	-43.58
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL300019702327	0	48	-1.0	-58.45	396.22	1.43	-57.02
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019702327	1	48	-1.0	-58.42	396.28	1.44	-56.98
COC1=NC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300019702328	0	40	-1.0	-47.32	334.30	1.13	-46.19
COC1=NC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300019702328	1	40	-1.0	-47.34	334.24	1.11	-46.23
CC1=CN2C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CN=C2S1	REAL300019702329	0	34	-1.0	-47.33	298.91	2.59	-44.74
CC1=CN2C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CN=C2S1	REAL300019702329	1	34	-1.0	-47.30	298.85	2.56	-44.74
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702330	0	41	-1.0	-44.56	355.30	3.61	-40.95
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702330	1	41	-1.0	-44.54	355.36	3.64	-40.90
O=C(C1=CC(Cl)=C(Cl)S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702331	0	28	-1.0	-41.31	284.48	2.35	-38.96
O=C(C1=CC(Cl)=C(Cl)S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702331	1	28	-1.0	-41.30	284.54	2.37	-38.93
CC(C)(C)C1=CC=NC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702332	0	42	-1.0	-41.82	332.60	3.69	-38.13
CC(C)(C)C1=CC=NC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702332	1	42	-1.0	-41.84	332.54	3.68	-38.16
COC1CC2(C1)CCC(C(=O)N1CCOC(C3=N[N-]N=N3)C1)CC2	REAL300019702333	0	48	-1.0	-47.73	364.52	3.32	-44.41
COC1CC2(C1)CCC(C(=O)N1CCOC(C3=NN=N[N-]3)C1)CC2	REAL300019702333	1	48	-1.0	-47.74	364.57	3.34	-44.40
CCCC(CCC1=CC=CC=C1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702334	0	49	-1.0	-48.58	380.56	6.41	-42.17
CCCC(CCC1=CC=CC=C1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702334	1	49	-1.0	-48.60	380.62	6.44	-42.16
CCC(C)(C)C1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019702335	0	52	-1.0	-45.86	360.11	4.91	-40.95
CCC(C)(C)C1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019702335	1	52	-1.0	-45.86	360.16	4.94	-40.92
CC1=CC2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CN=C2C=C1	REAL300019702336	0	39	-1.0	-46.34	323.40	3.29	-43.05
CC1=CC2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CN=C2C=C1	REAL300019702336	1	39	-1.0	-46.37	323.34	3.26	-43.11
CN1C=C(C2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=NO2)N=N1	REAL300019702337	0	36	-1.0	-45.97	315.96	0.44	-45.53
CN1C=C(C2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=NO2)N=N1	REAL300019702337	1	36	-1.0	-45.96	316.02	0.47	-45.49
O=C(C1CCC2(CC(=O)C2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702338	0	43	-1.0	-50.47	334.49	3.44	-47.03
O=C(C1CCC2(CC(=O)C2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702338	1	43	-1.0	-50.47	334.55	3.47	-47.00
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702339	0	38	-1.0	-52.52	316.84	1.98	-50.54
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702339	1	38	-1.0	-52.50	316.89	2.01	-50.49
CCC(CCC1=CC=CC=C1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702340	0	46	-1.0	-48.57	357.68	5.60	-42.97
CCC(CCC1=CC=CC=C1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702340	1	46	-1.0	-48.57	357.74	5.62	-42.95
COC1(C(F)(F)C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL300019702341	0	41	-1.0	-41.67	318.22	2.83	-38.84
COC1(C(F)(F)C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL300019702341	1	41	-1.0	-41.67	318.28	2.86	-38.81
O=C(CCC1=CC=C2CCOCC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702342	0	45	-1.0	-46.94	361.30	4.17	-42.77
O=C(CCC1=CC=C2CCOCC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702342	1	45	-1.0	-46.95	361.35	4.20	-42.75
O=C(C1CC12CCC(F)(F)CC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702343	0	41	-1.0	-48.04	327.57	4.18	-43.86
O=C(C1CC12CCC(F)(F)CC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702343	1	41	-1.0	-48.02	327.63	4.20	-43.82
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N=C1Br	REAL300019702344	0	33	-1.0	-44.86	295.54	2.45	-42.41
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N=C1Br	REAL300019702344	1	33	-1.0	-44.86	295.49	2.42	-42.44
CN(C)C1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300019702345	0	41	-1.0	-44.09	341.22	3.50	-40.59
CN(C)C1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300019702345	1	41	-1.0	-44.12	341.28	3.52	-40.60
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702346	0	35	-1.0	-45.01	312.12	2.12	-42.89
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702346	1	35	-1.0	-45.01	312.06	2.09	-42.92
COC(=O)C1=CSC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702347	0	34	-1.0	-40.17	307.49	1.90	-38.27
COC(=O)C1=CSC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702347	1	34	-1.0	-40.15	307.55	1.93	-38.22
CC(C)(C)C1=CN=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702348	0	42	-1.0	-44.38	332.11	2.77	-41.61
CC(C)(C)C1=CN=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702348	1	42	-1.0	-44.39	332.06	2.74	-41.65
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702349	0	39	-1.0	-38.91	348.99	4.38	-34.53
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702349	1	39	-1.0	-38.92	349.04	4.41	-34.51
N#CC1=CC=C(C2=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)N=CO2)C=C1	REAL300019702350	0	38	-1.0	-50.06	337.11	0.94	-49.12
N#CC1=CC=C(C2=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)N=CO2)C=C1	REAL300019702350	1	38	-1.0	-50.11	337.06	0.91	-49.20
COC1CC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1(C)C	REAL300019702351	0	44	-1.0	-49.76	342.36	2.49	-47.27
COC1CC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1(C)C	REAL300019702351	1	44	-1.0	-49.80	342.41	2.51	-47.29
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702352	0	55	-1.0	-52.85	416.77	4.60	-48.25
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702352	1	55	-1.0	-52.86	416.83	4.63	-48.23
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019702353	0	41	-1.0	-46.20	346.61	4.37	-41.83
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019702353	1	41	-1.0	-46.18	346.67	4.40	-41.78
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702354	0	51	-1.0	-43.22	399.74	1.96	-41.26
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702354	1	51	-1.0	-43.29	399.79	1.98	-41.31
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=NN21	REAL300019702355	0	45	-1.0	-54.59	358.46	3.68	-50.91
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=NN21	REAL300019702355	1	45	-1.0	-54.60	358.41	3.65	-50.95
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCCN1C(=O)CCCC2	REAL300019702356	0	45	-1.0	-55.54	333.00	2.18	-53.36
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCCN1C(=O)CCCC2	REAL300019702356	1	45	-1.0	-55.55	333.06	2.21	-53.34
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019702357	0	41	-1.0	-46.89	342.08	4.85	-42.04
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019702357	1	41	-1.0	-46.88	342.13	4.87	-42.01
O=C(C1CCC2(CC2(F)F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702358	0	38	-1.0	-46.92	310.24	3.49	-43.43
O=C(C1CCC2(CC2(F)F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702358	1	38	-1.0	-46.95	310.30	3.50	-43.45
O=C(C1CCCC2C1C2(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702359	0	38	-1.0	-51.82	300.06	3.28	-48.54
O=C(C1CCCC2C1C2(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702359	1	38	-1.0	-51.79	300.12	3.30	-48.49
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702360	0	42	-1.0	-51.22	336.90	3.89	-47.33
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702360	1	42	-1.0	-51.23	336.96	3.90	-47.33
O=C(CCC1=CC=CC(Br)=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702361	0	37	-1.0	-47.66	333.78	4.73	-42.93
O=C(CCC1=CC=CC(Br)=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702361	1	37	-1.0	-47.66	333.84	4.76	-42.90
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702362	0	49	-1.0	-44.91	333.83	4.57	-40.34
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702362	1	49	-1.0	-44.89	333.89	4.59	-40.30
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL300019702363	0	49	-1.0	-47.93	388.24	1.90	-46.03
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL300019702363	1	49	-1.0	-47.95	388.29	1.92	-46.03
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C(F)F)=NN1C	REAL300019702364	0	37	-1.0	-50.47	319.97	1.45	-49.02
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C(F)F)=NN1C	REAL300019702364	1	37	-1.0	-50.42	320.03	1.48	-48.94
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702365	0	42	-1.0	-58.89	335.45	1.36	-57.53
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702365	1	42	-1.0	-58.91	335.51	1.37	-57.54
CCC1=CC=C(C(=O)C(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019702366	0	36	-1.0	-41.36	314.25	2.88	-38.48
CCC1=CC=C(C(=O)C(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019702366	1	36	-1.0	-41.32	314.30	2.91	-38.41
COC1=CC(Br)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1F	REAL300019702367	0	35	-1.0	-40.00	316.20	2.23	-37.77
COC1=CC(Br)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1F	REAL300019702367	1	35	-1.0	-39.96	316.26	2.24	-37.72
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702368	0	49	-1.0	-45.98	386.41	1.85	-44.13
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702368	1	49	-1.0	-46.03	386.47	1.87	-44.16
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702369	0	52	-1.0	-52.12	401.34	3.52	-48.60
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702369	1	52	-1.0	-52.12	401.40	3.55	-48.57
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C12COC2	REAL300019702370	0	53	-1.0	-54.89	400.02	2.15	-52.74
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C12COC2	REAL300019702370	1	53	-1.0	-54.89	400.08	2.17	-52.72
O=C(C1=CC(C2CCCC2)=NN1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702371	0	41	-1.0	-42.68	324.67	2.20	-40.48
O=C(C1=CC(C2CCCC2)=NN1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702371	1	41	-1.0	-42.71	324.72	2.22	-40.49
CC1(C)OC2=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C2NC1=O	REAL300019702372	0	43	-1.0	-48.69	350.16	0.76	-47.93
CC1(C)OC2=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC=C2NC1=O	REAL300019702372	1	43	-1.0	-48.66	350.22	0.78	-47.88
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702373	0	39	-1.0	-48.64	318.41	1.34	-47.30
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702373	1	39	-1.0	-48.64	318.46	1.36	-47.28
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C21	REAL300019702374	0	39	-1.0	-48.42	335.53	1.15	-47.27
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C21	REAL300019702374	1	39	-1.0	-48.41	335.59	1.18	-47.23
COC(=O)C1=CC=CC2=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300019702375	0	43	-1.0	-46.44	356.31	5.00	-41.44
COC(=O)C1=CC=CC2=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300019702375	1	43	-1.0	-46.49	356.37	5.03	-41.46
O=C(C1=CN=CC2=C1CCNC2=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702376	0	38	-1.0	-44.45	313.40	-1.23	-45.68
O=C(C1=CN=CC2=C1CCNC2=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702376	1	38	-1.0	-44.47	313.46	-1.21	-45.68
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=NC=C1C(F)F	REAL300019702377	0	36	-1.0	-42.07	304.22	2.71	-39.36
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=NC=C1C(F)F	REAL300019702377	1	36	-1.0	-42.07	304.27	2.74	-39.33
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702378	0	39	-1.0	-43.92	329.01	0.53	-43.39
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702378	1	39	-1.0	-43.94	329.07	0.55	-43.39
CN(C)C(=O)C1=CN=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702379	0	40	-1.0	-45.24	326.28	0.30	-44.94
CN(C)C(=O)C1=CN=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702379	1	40	-1.0	-45.25	326.23	0.27	-44.98
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702380	0	35	-1.0	-47.89	313.12	2.26	-45.63
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702380	1	35	-1.0	-47.90	313.06	2.24	-45.66
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702381	0	51	-1.0	-46.16	403.87	0.13	-46.03
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702381	1	51	-1.0	-46.15	403.93	0.16	-45.99
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019702382	0	54	-1.0	-56.80	410.21	3.80	-53.00
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019702382	1	54	-1.0	-56.76	410.26	3.83	-52.93
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019702383	0	51	-1.0	-50.53	387.03	1.88	-48.65
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019702383	1	51	-1.0	-50.51	387.09	1.91	-48.60
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019702384	0	52	-1.0	-48.42	409.07	2.79	-45.63
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019702384	1	52	-1.0	-48.43	409.13	2.81	-45.62
COC1=CC=CC=C1OC(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702385	0	42	-1.0	-54.18	338.02	3.27	-50.91
COC1=CC=CC=C1OC(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702385	1	42	-1.0	-54.15	338.08	3.29	-50.86
CC1=C(Cl)C=NN1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702386	0	34	-1.0	-51.15	304.54	1.61	-49.54
CC1=C(Cl)C=NN1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702386	1	34	-1.0	-51.16	304.60	1.63	-49.53
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C12CCC2	REAL300019702387	0	55	-1.0	-48.66	403.85	3.48	-45.18
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C12CCC2	REAL300019702387	1	55	-1.0	-48.66	403.91	3.51	-45.15
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702388	0	45	-1.0	-55.89	361.13	1.22	-54.67
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702388	1	45	-1.0	-55.91	361.19	1.25	-54.66
CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)N(C)C	REAL300019702389	0	45	-1.0	-54.97	363.89	0.63	-54.34
CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)N(C)C	REAL300019702389	1	45	-1.0	-54.94	363.94	0.66	-54.28
CCC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)N2C=C(C)SC2=N1	REAL300019702390	0	40	-1.0	-45.33	348.12	4.12	-41.21
CCC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)N2C=C(C)SC2=N1	REAL300019702390	1	40	-1.0	-45.28	348.18	4.15	-41.13
O=C(C1CCC(C2CCCO2)O1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702391	0	43	-1.0	-54.56	335.08	2.20	-52.36
O=C(C1CCC(C2CCCO2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702391	1	43	-1.0	-54.51	335.13	2.22	-52.29
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702392	0	52	-1.0	-57.24	393.72	4.42	-52.82
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702392	1	52	-1.0	-57.23	393.78	4.45	-52.78
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702393	0	34	-1.0	-46.64	316.71	3.68	-42.96
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702393	1	34	-1.0	-46.64	316.77	3.70	-42.94
CC1=CC(F)=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300019702394	0	36	-1.0	-46.13	312.69	3.52	-42.61
CC1=CC(F)=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300019702394	1	36	-1.0	-46.14	312.75	3.55	-42.59
CN1N=NC2=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300019702395	0	36	-1.0	-61.44	305.49	0.83	-60.61
CN1N=NC2=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300019702395	1	36	-1.0	-61.43	305.43	0.81	-60.62
O=C(C1=CN=C2OCCCC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702396	0	38	-1.0	-46.05	309.43	-0.31	-46.36
O=C(C1=CN=C2OCCCC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702396	1	38	-1.0	-46.02	309.37	-0.34	-46.36
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702397	0	36	-1.0	-42.34	312.31	1.60	-40.74
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702397	1	36	-1.0	-42.34	312.37	1.62	-40.72
O=C(N1CCOC(C2=N[N-]N=N2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300019702398	0	40	-1.0	-40.85	336.94	4.83	-36.02
O=C(N1CCOC(C2=NN=N[N-]2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300019702398	1	40	-1.0	-40.88	336.99	4.86	-36.02
CC1=CC2=C(C=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)S2)S1	REAL300019702399	0	34	-1.0	-44.51	309.60	3.48	-41.03
CC1=CC2=C(C=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)S2)S1	REAL300019702399	1	34	-1.0	-44.52	309.66	3.51	-41.01
O=C(C1CC=CC2=CC=CC=C21)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702400	0	39	-1.0	-39.22	316.81	4.63	-34.59
O=C(C1CC=CC2=CC=CC=C21)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702400	1	39	-1.0	-39.28	316.86	4.65	-34.63
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702401	0	42	-1.0	-51.69	357.71	-1.22	-52.91
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702401	1	42	-1.0	-51.68	357.76	-1.20	-52.88
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702402	0	37	-1.0	-43.12	336.31	4.56	-38.56
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702402	1	37	-1.0	-43.12	336.37	4.59	-38.53
O=C(C1=CN2C=NN=C2C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702403	0	32	-1.0	-46.69	276.71	2.64	-44.05
O=C(C1=CN2C=NN=C2C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702403	1	32	-1.0	-46.71	276.66	2.62	-44.09
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702404	0	44	-1.0	-48.50	368.82	6.05	-42.45
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702404	1	44	-1.0	-48.46	368.88	6.08	-42.38
CON(CCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019702405	0	48	-1.0	-47.46	385.15	2.68	-44.78
CON(CCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019702405	1	48	-1.0	-47.43	385.21	2.70	-44.73
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702406	0	33	-1.0	-44.33	302.33	0.09	-44.24
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702406	1	33	-1.0	-44.29	302.38	0.11	-44.18
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702407	0	44	-1.0	-42.84	359.15	1.08	-41.76
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702407	1	44	-1.0	-42.86	359.21	1.11	-41.75
O=C(C1=CC=CC2=NC=CC=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702408	0	36	-1.0	-47.62	300.08	2.60	-45.02
O=C(C1=CC=CC2=NC=CC=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702408	1	36	-1.0	-47.62	300.02	2.57	-45.05
COC(=O)C1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C(F)C=N1	REAL300019702409	0	36	-1.0	-42.01	318.75	1.21	-40.80
COC(=O)C1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C(F)C=N1	REAL300019702409	1	36	-1.0	-42.02	318.70	1.19	-40.83
CC1=CC2=C(OCC2)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019702410	0	39	-1.0	-43.42	319.59	2.82	-40.60
CC1=CC2=C(OCC2)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019702410	1	39	-1.0	-43.43	319.65	2.83	-40.60
O=C(C1=C2SC=CC2=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702411	0	33	-1.0	-47.52	293.85	1.80	-45.72
O=C(C1=C2SC=CC2=CN=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702411	1	33	-1.0	-47.50	293.79	1.78	-45.72
COC1CC2(C1)CC(C(=O)N1CCOC(C3=N[N-]N=N3)C1)C2	REAL300019702412	0	42	-1.0	-46.53	334.24	2.33	-44.20
COC1CC2(C1)CC(C(=O)N1CCOC(C3=NN=N[N-]3)C1)C2	REAL300019702412	1	42	-1.0	-46.53	334.30	2.36	-44.17
CC(C)OCC1=CC=CC=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702413	0	47	-1.0	-48.95	377.60	4.75	-44.20
CC(C)OCC1=CC=CC=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702413	1	47	-1.0	-48.91	377.66	4.78	-44.13
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702414	0	38	-1.0	-46.83	342.29	5.36	-41.47
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702414	1	38	-1.0	-46.80	342.35	5.39	-41.41
O=C(CC1CCCNC(=O)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702415	0	41	-1.0	-60.97	318.35	0.12	-60.85
O=C(CC1CCCNC(=O)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702415	1	41	-1.0	-60.96	318.41	0.14	-60.82
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1C(F)(F)F	REAL300019702416	0	34	-1.0	-45.31	288.27	2.20	-43.11
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1C(F)(F)F	REAL300019702416	1	34	-1.0	-45.30	288.33	2.23	-43.07
O=C(C1CCCCC12CCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702417	0	44	-1.0	-45.89	316.51	4.12	-41.77
O=C(C1CCCCC12CCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702417	1	44	-1.0	-45.89	316.57	4.15	-41.74
CC12CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)(CO1)CCC2	REAL300019702418	0	42	-1.0	-38.47	310.57	1.48	-36.99
CC12CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)(CO1)CCC2	REAL300019702418	1	42	-1.0	-38.50	310.63	1.51	-36.99
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702419	0	47	-1.0	-47.78	362.45	6.04	-41.74
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702419	1	47	-1.0	-47.78	362.50	6.07	-41.71
O=C(CN1C=C(I)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702420	0	31	-1.0	-53.02	294.70	1.76	-51.26
O=C(CN1C=C(I)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702420	1	31	-1.0	-53.02	294.65	1.74	-51.28
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702421	0	34	-1.0	-44.70	305.80	3.13	-41.57
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702421	1	34	-1.0	-44.70	305.74	3.11	-41.59
CN1C=NC2=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300019702422	0	37	-1.0	-49.10	310.88	3.64	-45.46
CN1C=NC2=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300019702422	1	37	-1.0	-49.10	310.82	3.61	-45.49
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCCCC1C2(F)F	REAL300019702423	0	38	-1.0	-43.63	301.22	3.11	-40.52
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCCCC1C2(F)F	REAL300019702423	1	38	-1.0	-43.63	301.28	3.13	-40.50
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702424	0	41	-1.0	-42.21	349.66	3.56	-38.65
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702424	1	41	-1.0	-42.27	349.61	3.54	-38.73
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702425	0	37	-1.0	-47.02	316.32	0.96	-46.06
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702425	1	37	-1.0	-46.98	316.38	0.98	-46.00
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702426	0	41	-1.0	-58.62	346.46	-1.38	-60.00
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702426	1	41	-1.0	-58.59	346.40	-1.41	-60.00
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702427	0	31	-1.0	-40.35	301.64	-1.71	-42.06
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702427	1	31	-1.0	-40.35	301.58	-1.73	-42.08
COC1=C(Cl)C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C2=NC=CC=C21	REAL300019702428	0	40	-1.0	-50.43	351.08	2.93	-47.50
COC1=C(Cl)C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C2=NC=CC=C21	REAL300019702428	1	40	-1.0	-50.42	351.02	2.90	-47.52
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702429	0	46	-1.0	-48.56	378.13	2.61	-45.95
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702429	1	46	-1.0	-48.58	378.07	2.58	-46.00
O=C(C1=CC=CN2N=NC=C12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702430	0	33	-1.0	-51.68	288.53	0.98	-50.70
O=C(C1=CC=CN2N=NC=C12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702430	1	33	-1.0	-51.61	288.47	0.95	-50.66
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019702431	0	52	-1.0	-44.92	400.17	3.06	-41.86
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019702431	1	52	-1.0	-44.93	400.22	3.08	-41.85
CC1(C)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC(C)(C)C1	REAL300019710202	0	52	-1.0	-44.19	393.36	6.54	-37.65
CC1(C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC(C)(C)C1	REAL300019710202	1	52	-1.0	-44.17	393.41	6.55	-37.62
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710203	0	41	-1.0	-53.67	353.25	4.70	-48.97
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710203	1	41	-1.0	-53.66	353.20	4.69	-48.97
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=C1COCC2	REAL300019710204	0	42	-1.0	-46.92	344.87	4.56	-42.36
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=C1COCC2	REAL300019710204	1	42	-1.0	-46.93	344.93	4.58	-42.35
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2(CC2(F)F)C1	REAL300019710205	0	38	-1.0	-46.04	333.91	4.95	-41.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2(CC2(F)F)C1	REAL300019710205	1	38	-1.0	-46.06	333.96	4.97	-41.09
CC1=CC(F)=CC(C)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710206	0	40	-1.0	-43.79	346.15	5.44	-38.35
CC1=CC(F)=CC(C)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710206	1	40	-1.0	-43.78	346.21	5.45	-38.33
CSC(C)(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710207	0	37	-1.0	-47.77	317.04	3.69	-44.08
CSC(C)(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710207	1	37	-1.0	-47.74	317.10	3.71	-44.03
CN1N=CC(C2CCC2)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710208	0	44	-1.0	-44.71	370.22	4.71	-40.00
CN1N=CC(C2CCC2)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710208	1	44	-1.0	-44.71	370.16	4.70	-40.01
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(N2C=NN=N2)CC1	REAL300019710209	0	36	-1.0	-49.16	318.65	2.74	-46.42
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(N2C=NN=N2)CC1	REAL300019710209	1	36	-1.0	-49.16	318.60	2.72	-46.44
C[C@@H](C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019710210	0	50	-1.0	-47.57	401.14	4.49	-43.08
C[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019710210	1	50	-1.0	-47.57	401.20	4.50	-43.07
COC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(C)O1	REAL300019710211	0	40	-1.0	-44.85	355.03	4.00	-40.85
COC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(C)O1	REAL300019710211	1	40	-1.0	-44.81	355.08	4.01	-40.80
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(CO)C1=CC=CC=C1	REAL300019710212	0	41	-1.0	-45.15	346.59	2.76	-42.39
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(CO)C1=CC=CC=C1	REAL300019710212	1	41	-1.0	-45.12	346.65	2.78	-42.34
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCN1C1CCCC1	REAL300019710213	0	46	-1.0	-43.08	353.45	2.04	-41.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300019710213	1	47	0.0	-69.40	369.72	5.82	-63.58
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@H+]1C1CCCC1	REAL300019710213	1	47	0.0	-68.33	362.36	5.31	-63.02
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCN1C1CCCC1	REAL300019710213	1	46	-1.0	-43.03	353.50	2.05	-40.98
CC(C)(O)C(O)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710214	0	38	-1.0	-43.52	312.27	-1.04	-44.56
CC(C)(O)C(O)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710214	1	38	-1.0	-43.54	312.32	-1.02	-44.56
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC(=O)C1	REAL300019710215	0	36	-1.0	-46.30	309.00	3.05	-43.25
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC(=O)C1	REAL300019710215	1	36	-1.0	-46.26	309.06	3.06	-43.20
CCC(O)C(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710216	0	40	-1.0	-48.47	329.02	1.93	-46.54
CCC(O)C(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710216	1	40	-1.0	-48.45	329.07	1.95	-46.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2N=C(CO)NC2=CC=C1	REAL300019710217	0	41	-1.0	-56.32	354.40	0.83	-55.49
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2N=C(CO)NC2=CC=C1	REAL300019710217	1	41	-1.0	-56.30	354.46	0.84	-55.46
CCC1=CNC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019710218	0	40	-1.0	-54.72	343.60	3.18	-51.54
CCC1=CNC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019710218	1	40	-1.0	-54.72	343.66	3.19	-51.53
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710219	0	42	-1.0	-50.81	359.55	5.46	-45.35
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710219	1	42	-1.0	-50.82	359.61	5.47	-45.35
CC(=CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)CN1CCOCC1	REAL300019710220	0	47	-1.0	-45.25	378.91	1.87	-43.38
CC(=CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)CN1CCOCC1	REAL300019710220	1	47	-1.0	-45.25	378.96	1.88	-43.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN=C(C2=CC=CO2)O1	REAL300019710221	0	36	-1.0	-45.97	333.67	-1.44	-47.41
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN=C(C2=CC=CO2)O1	REAL300019710221	1	36	-1.0	-45.96	333.61	-1.45	-47.41
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019710222	0	37	-1.0	-53.26	335.97	4.08	-49.18
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019710222	1	37	-1.0	-53.27	336.03	4.09	-49.18
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019710223	0	38	-1.0	-45.18	353.42	5.90	-39.28
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019710223	1	38	-1.0	-45.16	353.48	5.92	-39.24
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN2C=CC=NC2=N1	REAL300019710224	0	35	-1.0	-54.72	317.73	4.61	-50.11
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN2C=CC=NC2=N1	REAL300019710224	1	35	-1.0	-54.72	317.67	4.60	-50.12
CC(=CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CO1	REAL300019710225	0	38	-1.0	-44.48	330.93	4.52	-39.96
CC(=CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CO1	REAL300019710225	1	38	-1.0	-44.44	330.99	4.54	-39.90
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710226	0	41	-1.0	-43.92	358.54	4.61	-39.31
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710226	1	41	-1.0	-43.91	358.59	4.62	-39.29
CC1=NNC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C12	REAL300019710227	0	40	-1.0	-47.36	345.22	3.75	-43.61
CC1=NNC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C12	REAL300019710227	1	40	-1.0	-47.39	345.27	3.76	-43.63
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)C=CC2=CC=NC=C21	REAL300019710228	0	39	-1.0	-49.48	347.05	4.75	-44.73
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)C=CC2=CC=NC=C21	REAL300019710228	1	39	-1.0	-49.50	346.99	4.73	-44.77
NC(=O)N=NC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019710229	0	40	-1.0	-51.79	358.15	-0.39	-52.18
NC(=O)N=NC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019710229	1	40	-1.0	-51.76	358.21	-0.38	-52.14
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCNC1=O	REAL300019710230	0	38	-1.0	-45.16	320.93	0.20	-44.96
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCNC1=O	REAL300019710230	1	38	-1.0	-45.16	320.99	0.22	-44.94
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CNC(=S)N1C1CC1	REAL300019710231	0	39	-1.0	-54.80	341.16	4.64	-50.16
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CNC(=S)N1C1CC1	REAL300019710231	1	39	-1.0	-54.78	341.22	4.66	-50.12
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710232	0	44	-1.0	-47.71	384.06	3.90	-43.81
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710232	1	44	-1.0	-47.71	384.11	3.92	-43.79
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC(C2=CC=CN=C2)=N1	REAL300019710233	0	39	-1.0	-45.22	351.99	1.13	-44.09
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC(C2=CC=CN=C2)=N1	REAL300019710233	1	39	-1.0	-45.20	351.93	1.12	-44.08
CC1=CC=NC=C1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710234	0	39	-1.0	-49.34	333.71	3.81	-45.53
CC1=CC=NC=C1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710234	1	39	-1.0	-49.31	333.76	3.83	-45.48
COCCCN1N=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CC1=O	REAL300019710235	0	46	-1.0	-46.24	396.28	2.30	-43.94
COCCCN1N=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CC1=O	REAL300019710235	1	46	-1.0	-46.28	396.22	2.28	-44.00
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2C=CSC2=NC=N1	REAL300019710236	0	35	-1.0	-43.57	322.81	3.77	-39.80
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2C=CSC2=NC=N1	REAL300019710236	1	35	-1.0	-43.56	322.75	3.75	-39.81
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300019710237	0	51	-1.0	-51.62	387.79	5.62	-46.00
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300019710237	1	51	-1.0	-51.62	387.84	5.64	-45.98
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NN1C(F)F	REAL300019710238	0	34	-1.0	-47.14	308.49	2.37	-44.77
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NN1C(F)F	REAL300019710238	1	34	-1.0	-47.14	308.43	2.36	-44.78
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(C2=NOC=C2)OC=N1	REAL300019710239	0	36	-1.0	-51.65	326.24	0.66	-50.99
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(C2=NOC=C2)OC=N1	REAL300019710239	1	36	-1.0	-51.67	326.18	0.64	-51.03
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC=C21	REAL300019710240	0	48	-1.0	-48.45	401.23	5.94	-42.51
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC=C21	REAL300019710240	1	48	-1.0	-48.47	401.29	5.96	-42.51
CC(C)C1=CC=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710241	0	43	-1.0	-44.64	351.47	6.10	-38.54
CC(C)C1=CC=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710241	1	43	-1.0	-44.64	351.53	6.11	-38.53
CC1=NN(C(C)CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019710242	0	43	-1.0	-47.28	360.27	4.16	-43.12
CC1=NN(C(C)CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019710242	1	43	-1.0	-47.30	360.33	4.17	-43.13
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC2CC21	REAL300019710243	0	41	-1.0	-45.33	328.99	5.26	-40.07
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC2CC21	REAL300019710243	1	41	-1.0	-45.32	329.05	5.28	-40.04
O=C(CCCC1=CC=CN=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710244	0	42	-1.0	-50.13	359.12	4.93	-45.20
O=C(CCCC1=CC=CN=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710244	1	42	-1.0	-50.14	359.17	4.94	-45.20
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(CF)C=C1	REAL300019710245	0	37	-1.0	-46.98	324.74	5.26	-41.72
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(CF)C=C1	REAL300019710245	1	37	-1.0	-46.96	324.80	5.27	-41.69
COC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1C(F)(F)F	REAL300019710246	0	41	-1.0	-46.43	363.65	4.82	-41.61
COC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1C(F)(F)F	REAL300019710246	1	41	-1.0	-46.46	363.71	4.84	-41.62
COC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCOC1	REAL300019710247	0	42	-1.0	-50.03	340.16	2.12	-47.91
COC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCOC1	REAL300019710247	1	42	-1.0	-50.05	340.21	2.13	-47.92
CC(C)(C)N1N=NC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019710248	0	44	-1.0	-53.33	375.02	2.69	-50.64
CC(C)(C)N1N=NC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019710248	1	44	-1.0	-53.31	375.07	2.70	-50.61
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2COCCC2=C1	REAL300019710249	0	42	-1.0	-46.62	350.81	4.52	-42.10
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2COCCC2=C1	REAL300019710249	1	42	-1.0	-46.59	350.86	4.54	-42.05
O=C(CCC1CC1(F)F)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710250	0	37	-1.0	-47.74	326.80	4.61	-43.13
O=C(CCC1CC1(F)F)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710250	1	37	-1.0	-47.75	326.85	4.62	-43.13
COCCCOCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710251	0	44	-1.0	-45.71	372.34	2.04	-43.67
COCCCOCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710251	1	44	-1.0	-45.71	372.40	2.05	-43.66
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710252	0	42	-1.0	-43.22	365.43	4.60	-38.62
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710252	1	42	-1.0	-43.19	365.49	4.62	-38.57
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019710253	0	37	-1.0	-43.20	352.84	6.36	-36.84
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019710253	1	37	-1.0	-43.20	352.90	6.37	-36.83
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019710254	0	45	-1.0	-47.36	378.80	5.77	-41.59
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019710254	1	45	-1.0	-47.36	378.85	5.78	-41.58
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300019710255	0	43	-1.0	-49.66	376.22	6.07	-43.59
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300019710255	1	43	-1.0	-49.69	376.28	6.08	-43.61
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710256	0	53	-1.0	-46.66	423.51	8.92	-37.74
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710256	1	53	-1.0	-46.66	423.57	8.93	-37.73
COCC1=CN=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710257	0	40	-1.0	-46.48	347.19	2.36	-44.12
COCC1=CN=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710257	1	40	-1.0	-46.51	347.13	2.35	-44.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CCCCC1	REAL300019710258	0	43	-1.0	-42.86	348.58	5.45	-37.41
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CCCCC1	REAL300019710258	1	43	-1.0	-42.83	348.64	5.47	-37.36
CC1=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)OC=C1	REAL300019710259	0	37	-1.0	-49.37	322.95	3.89	-45.48
CC1=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)OC=C1	REAL300019710259	1	37	-1.0	-49.40	323.01	3.90	-45.50
CN(C)C(=O)C1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019710260	0	50	-1.0	-59.07	389.66	4.44	-54.63
CN(C)C(=O)C1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019710260	1	50	-1.0	-59.08	389.72	4.45	-54.63
CC1=C(Br)C=NC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710261	0	36	-1.0	-43.05	326.29	3.86	-39.19
CC1=C(Br)C=NC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710261	1	36	-1.0	-43.02	326.35	3.88	-39.14
CC(C)(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N1C=CC=N1	REAL300019710262	0	40	-1.0	-53.76	336.40	3.78	-49.98
CC(C)(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N1C=CC=N1	REAL300019710262	1	40	-1.0	-53.77	336.34	3.76	-50.01
COC1=CC=C(OC(C)(C)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019710263	0	48	-1.0	-48.73	386.75	5.06	-43.67
COC1=CC=C(OC(C)(C)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019710263	1	48	-1.0	-48.72	386.81	5.07	-43.65
CC(C)CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019710264	0	49	-1.0	-45.16	408.16	8.56	-36.60
CC(C)CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019710264	1	49	-1.0	-45.14	408.21	8.57	-36.57
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C21	REAL300019710265	0	47	-1.0	-50.11	391.62	4.69	-45.42
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C21	REAL300019710265	1	47	-1.0	-50.11	391.67	4.71	-45.40
COC1=CC=CC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300019710266	0	41	-1.0	-49.21	364.68	4.88	-44.33
COC1=CC=CC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300019710266	1	41	-1.0	-49.20	364.74	4.90	-44.30
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C2CCCN12	REAL300019710267	0	38	-1.0	-49.15	322.70	3.97	-45.18
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C2CCCN12	REAL300019710267	1	38	-1.0	-49.14	322.75	3.99	-45.15
CCCCC(C)(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710268	0	42	-1.0	-42.30	348.21	4.93	-37.37
CCCCC(C)(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710268	1	42	-1.0	-42.30	348.27	4.94	-37.36
CC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(N)=N1	REAL300019710269	0	37	-1.0	-44.21	319.13	1.54	-42.67
CC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(N)=N1	REAL300019710269	1	37	-1.0	-44.20	319.18	1.55	-42.65
CCC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019710270	0	53	-1.0	-46.76	420.17	5.60	-41.16
CCC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019710270	1	53	-1.0	-46.74	420.23	5.62	-41.12
O=C(CCC1CC1(Cl)Cl)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710271	0	37	-1.0	-46.49	346.19	5.47	-41.02
O=C(CCC1CC1(Cl)Cl)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710271	1	37	-1.0	-46.52	346.25	5.48	-41.04
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710272	0	47	-1.0	-44.92	394.53	3.69	-41.23
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710272	1	47	-1.0	-44.90	394.59	3.70	-41.20
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019710273	0	40	-1.0	-53.88	353.69	4.44	-49.44
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019710273	1	40	-1.0	-53.88	353.63	4.43	-49.45
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(N2C=NN=N2)CCOCC1	REAL300019710274	0	43	-1.0	-52.12	352.59	1.89	-50.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(N2C=NN=N2)CCOCC1	REAL300019710274	1	43	-1.0	-52.13	352.54	1.87	-50.26
CC(C)N(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300019710275	0	53	-1.0	-50.12	420.20	5.77	-44.35
CC(C)N(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300019710275	1	53	-1.0	-50.13	420.26	5.79	-44.34
CC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1OC(C)C	REAL300019710276	0	49	-1.0	-49.34	405.15	6.98	-42.36
CC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1OC(C)C	REAL300019710276	1	49	-1.0	-49.32	405.20	7.00	-42.32
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019710277	0	43	0.0	-69.85	346.56	4.57	-65.28
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019710277	1	43	0.0	-69.87	346.62	4.59	-65.28
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019710278	0	53	0.0	-80.37	413.99	5.22	-75.15
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019710278	1	53	0.0	-79.64	421.58	5.66	-73.98
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019710278	1	53	0.0	-80.34	413.93	5.21	-75.13
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019710278	1	53	0.0	-79.64	421.52	5.65	-73.99
NC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=NN1CC1=CC=CC=C1	REAL300019710279	0	46	-1.0	-46.36	391.95	5.12	-41.24
NC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=NN1CC1=CC=CC=C1	REAL300019710279	1	46	-1.0	-46.39	391.89	5.10	-41.29
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2CCCCN2C=C1	REAL300019710280	0	42	-1.0	-47.43	345.72	5.67	-41.76
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2CCCCN2C=C1	REAL300019710280	1	42	-1.0	-47.44	345.78	5.68	-41.76
CCNC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300019710281	0	38	-1.0	-45.78	342.95	2.47	-43.31
CCNC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300019710281	1	38	-1.0	-45.77	342.89	2.45	-43.32
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2)C=C1	REAL300019710282	0	41	-1.0	-45.48	346.22	6.53	-38.95
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2)C=C1	REAL300019710282	1	41	-1.0	-45.45	346.28	6.54	-38.91
COC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC1	REAL300019710283	0	44	-1.0	-47.00	357.13	4.87	-42.13
COC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC1	REAL300019710283	1	44	-1.0	-46.99	357.19	4.88	-42.11
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710284	0	44	-1.0	-45.62	367.11	6.99	-38.63
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710284	1	44	-1.0	-45.60	367.17	7.00	-38.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2=CC=CC=C2CO1	REAL300019710285	0	42	-1.0	-47.88	353.92	5.54	-42.34
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2=CC=CC=C2CO1	REAL300019710285	1	42	-1.0	-47.87	353.97	5.55	-42.32
COC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300019710286	0	47	-1.0	-46.95	374.31	5.41	-41.54
COC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300019710286	1	47	-1.0	-46.98	374.37	5.42	-41.56
CC(CC1=CC=CO1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710287	0	40	-1.0	-45.44	339.22	4.53	-40.91
CC(CC1=CC=CO1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710287	1	40	-1.0	-45.43	339.28	4.54	-40.89
CC1CC2=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC=C2O1	REAL300019710288	0	42	-1.0	-46.56	353.64	5.02	-41.54
CC1CC2=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC=C2O1	REAL300019710288	1	42	-1.0	-46.54	353.69	5.04	-41.50
CC1(C)CCC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710289	0	40	-1.0	-44.65	326.43	4.38	-40.27
CC1(C)CCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710289	1	40	-1.0	-44.66	326.49	4.40	-40.26
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2(C1)CCCCC2	REAL300019710290	0	47	-1.0	-44.86	367.77	6.33	-38.53
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2(C1)CCCCC2	REAL300019710290	1	47	-1.0	-44.89	367.82	6.35	-38.54
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019710291	0	40	-1.0	-44.69	354.95	7.22	-37.47
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019710291	1	40	-1.0	-44.70	355.01	7.23	-37.47
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(C)N1C1=CN(C)N=C1	REAL300019710292	0	48	-1.0	-48.75	404.13	6.03	-42.72
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(C)N1C1=CN(C)N=C1	REAL300019710292	1	48	-1.0	-48.73	404.07	6.02	-42.71
COCC1=CSC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710293	0	38	-1.0	-46.16	344.18	3.17	-42.99
COCC1=CSC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710293	1	38	-1.0	-46.15	344.24	3.18	-42.97
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710294	0	41	-1.0	-48.93	331.55	4.38	-44.55
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710294	1	41	-1.0	-48.91	331.61	4.39	-44.52
CC(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCO1	REAL300019710295	0	44	-1.0	-44.36	351.66	3.76	-40.60
CC(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCO1	REAL300019710295	1	44	-1.0	-44.36	351.71	3.77	-40.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019710296	0	47	0.0	-71.23	384.05	5.02	-66.21
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019710296	1	47	0.0	-71.18	384.11	5.04	-66.14
NC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC(Br)=N1	REAL300019710297	0	35	-1.0	-43.86	328.92	1.93	-41.93
NC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC(Br)=N1	REAL300019710297	1	35	-1.0	-43.86	328.86	1.92	-41.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NOC2=C1COCC2	REAL300019710298	0	38	-1.0	-44.50	328.87	2.06	-42.44
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NOC2=C1COCC2	REAL300019710298	1	38	-1.0	-44.47	328.82	2.04	-42.43
CC1=CN2C=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC2=N1	REAL300019710299	0	40	-1.0	-53.55	345.28	5.60	-47.95
CC1=CN2C=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC2=N1	REAL300019710299	1	40	-1.0	-53.55	345.34	5.61	-47.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(C2CC2)N=N1	REAL300019710300	0	37	-1.0	-45.22	327.97	2.29	-42.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(C2CC2)N=N1	REAL300019710300	1	37	-1.0	-45.21	327.92	2.27	-42.94
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710301	0	42	-1.0	-52.75	361.33	2.89	-49.86
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710301	1	42	-1.0	-52.74	361.39	2.90	-49.84
CNC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300019710302	0	39	-1.0	-45.06	337.30	3.33	-41.73
CNC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300019710302	1	39	-1.0	-45.05	337.36	3.34	-41.71
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2C(C1)C2(F)F	REAL300019710303	0	41	-1.0	-47.74	338.99	5.39	-42.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2C(C1)C2(F)F	REAL300019710303	1	41	-1.0	-47.73	339.05	5.40	-42.33
CC(F)(F)C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019710304	0	37	-1.0	-41.25	321.94	4.33	-36.92
CC(F)(F)C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019710304	1	37	-1.0	-41.26	321.99	4.34	-36.92
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710305	0	45	-1.0	-50.85	376.66	1.10	-49.75
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019710305	1	45	-1.0	-50.88	376.72	1.11	-49.77
O=C(COCC(F)F)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710306	0	34	-1.0	-54.96	309.23	2.68	-52.28
O=C(COCC(F)F)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710306	1	34	-1.0	-54.97	309.29	2.70	-52.27
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019710307	0	43	-1.0	-55.28	374.47	4.88	-50.40
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019710307	1	43	-1.0	-55.26	374.42	4.87	-50.39
COC1=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CO1	REAL300019710308	0	34	-1.0	-43.80	308.75	-1.92	-45.72
COC1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CO1	REAL300019710308	1	34	-1.0	-43.80	308.69	-1.93	-45.73
CC1=CC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NC=C1Cl	REAL300019710309	0	39	-1.0	-50.94	350.91	4.58	-46.36
CC1=CC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NC=C1Cl	REAL300019710309	1	39	-1.0	-50.95	350.96	4.59	-46.36
NC1=C(Cl)C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019710310	0	36	-1.0	-44.44	340.68	3.47	-40.97
NC1=C(Cl)C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019710310	1	36	-1.0	-44.41	340.74	3.49	-40.92
CCC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCC(F)(F)CC1	REAL300019710311	0	46	-1.0	-45.43	357.74	6.18	-39.25
CCC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCC(F)(F)CC1	REAL300019710311	1	46	-1.0	-45.44	357.79	6.20	-39.24
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710312	0	37	-1.0	-45.04	343.18	3.13	-41.91
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710312	1	37	-1.0	-45.03	343.13	3.12	-41.91
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019710313	0	46	-1.0	-46.61	369.64	5.62	-40.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019710313	1	46	-1.0	-46.62	369.69	5.63	-40.99
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CCOCC1	REAL300019710314	0	41	-1.0	-42.60	340.22	3.09	-39.51
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CCOCC1	REAL300019710314	1	41	-1.0	-42.60	340.28	3.11	-39.49
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019710315	0	37	-1.0	-44.97	348.00	5.95	-39.02
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019710315	1	37	-1.0	-44.95	348.05	5.96	-38.99
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710316	0	43	-1.0	-57.61	371.73	0.76	-56.85
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710316	1	43	-1.0	-57.61	371.79	0.77	-56.84
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019710317	0	47	-1.0	-44.32	387.70	7.44	-36.88
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019710317	1	47	-1.0	-44.29	387.75	7.45	-36.84
CC1=CCC(C)(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019710318	0	44	-1.0	-45.70	350.98	5.55	-40.15
CC1=CCC(C)(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019710318	1	44	-1.0	-45.73	351.04	5.56	-40.17
CCN1C(=O)NC2=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC=C21	REAL300019710319	0	44	-1.0	-51.37	376.49	4.26	-47.11
CCN1C(=O)NC2=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC=C21	REAL300019710319	1	44	-1.0	-51.35	376.55	4.27	-47.08
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019710320	0	45	-1.0	-50.43	381.52	4.91	-45.52
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019710320	1	45	-1.0	-50.41	381.58	4.92	-45.49
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710321	0	44	-1.0	-43.83	362.74	3.97	-39.86
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710321	1	44	-1.0	-43.82	362.80	3.98	-39.84
CC1(C)CCCC(O)(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710322	0	47	-1.0	-45.35	361.91	3.09	-42.26
CC1(C)CCCC(O)(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019710322	1	47	-1.0	-45.34	361.97	3.10	-42.24
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CC1=CC=CC=C1COCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710415	1	44	-1.0	-51.11	372.36	6.12	-44.99
CC1=CC=CC(COCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710416	0	44	-1.0	-50.54	377.54	6.09	-44.45
CC1=CC=CC(COCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710416	1	44	-1.0	-50.58	377.60	6.10	-44.48
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2SC=CC2=CC=N1	REAL300019710417	0	36	-1.0	-47.21	328.59	4.10	-43.11
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2SC=CC2=CC=N1	REAL300019710417	1	36	-1.0	-47.18	328.53	4.08	-43.10
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019710418	0	43	-1.0	-60.06	353.60	3.28	-56.78
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019710418	1	43	-1.0	-60.02	353.66	3.30	-56.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019710419	0	40	-2.0	-85.85	365.97	0.55	-85.30
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019710419	1	40	-2.0	-85.82	365.91	0.53	-85.29
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019710419	1	41	-1.0	-52.73	366.04	0.69	-52.04
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019710419	1	41	-1.0	-52.77	365.98	0.68	-52.09
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710420	0	37	-1.0	-58.02	336.46	3.39	-54.63
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710420	1	37	-1.0	-58.00	336.52	3.40	-54.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=CC(=O)NC=C21	REAL300019710421	0	40	-1.0	-50.55	344.22	3.64	-46.91
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=CC(=O)NC=C21	REAL300019710421	1	40	-1.0	-50.58	344.28	3.66	-46.92
CC1=CN2C=CN=C2C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710422	0	40	-1.0	-48.75	343.79	6.24	-42.51
CC1=CN2C=CN=C2C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710422	1	40	-1.0	-48.74	343.73	6.23	-42.51
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(SC(F)(F)F)N=C1	REAL300019710423	0	37	-1.0	-44.36	351.98	4.69	-39.67
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(SC(F)(F)F)N=C1	REAL300019710423	1	37	-1.0	-44.38	351.92	4.67	-39.71
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NC(N2CCOCC2)=N1	REAL300019710424	0	45	-1.0	-43.78	377.54	2.92	-40.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NC(N2CCOCC2)=N1	REAL300019710424	1	45	-1.0	-43.78	377.48	2.91	-40.87
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710425	0	51	-1.0	-47.44	414.23	3.24	-44.20
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019710425	1	51	-1.0	-47.42	414.29	3.25	-44.17
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC2(CC2)C1	REAL300019710426	0	44	-1.0	-44.65	354.17	5.99	-38.66
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC2(CC2)C1	REAL300019710426	1	44	-1.0	-44.67	354.23	6.00	-38.67
CCCN1N=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710427	0	40	-1.0	-44.66	334.59	4.30	-40.36
CCCN1N=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710427	1	40	-1.0	-44.66	334.53	4.28	-40.38
CC1=CC=C(COCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019710428	0	44	-1.0	-50.52	377.54	6.10	-44.42
CC1=CC=C(COCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019710428	1	44	-1.0	-50.49	377.59	6.11	-44.38
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C(F)F)=CC=C1F	REAL300019710429	0	37	-1.0	-50.71	335.73	5.44	-45.27
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C(F)F)=CC=C1F	REAL300019710429	1	37	-1.0	-50.69	335.79	5.45	-45.24
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019710430	0	48	-1.0	-49.90	394.52	5.29	-44.61
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019710430	1	48	-1.0	-49.90	394.57	5.30	-44.60
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019710431	0	41	-1.0	-49.28	364.55	5.55	-43.73
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019710431	1	41	-1.0	-49.32	364.49	5.54	-43.78
CC1=CN=CN1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710432	0	37	-1.0	-53.42	322.30	4.67	-48.75
CC1=CN=CN1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710432	1	37	-1.0	-53.43	322.24	4.65	-48.78
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710432	1	38	0.0	-68.56	325.73	5.18	-63.38
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710432	1	38	0.0	-68.56	325.67	5.17	-63.39
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019710433	0	36	-1.0	-45.84	343.48	4.48	-41.36
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019710433	1	36	-1.0	-45.85	343.42	4.46	-41.39
COC1=CC(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC(OC)=C1O	REAL300019710434	0	49	-1.0	-49.67	412.26	2.93	-46.74
COC1=CC(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC(OC)=C1O	REAL300019710434	1	49	-1.0	-49.70	412.32	2.95	-46.75
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710435	0	44	-1.0	-47.73	378.77	4.37	-43.36
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710435	1	44	-1.0	-47.73	378.83	4.39	-43.34
COC1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1C	REAL300019710436	0	41	-1.0	-46.62	340.59	4.50	-42.12
COC1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1C	REAL300019710436	1	41	-1.0	-46.63	340.64	4.52	-42.11
CCC1=CNC(=O)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710437	0	40	-1.0	-52.04	342.19	3.06	-48.98
CCC1=CNC(=O)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710437	1	40	-1.0	-52.06	342.25	3.08	-48.98
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(O)CC1=CC=CC=C1	REAL300019710438	0	41	-1.0	-46.82	352.48	3.74	-43.08
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(O)CC1=CC=CC=C1	REAL300019710438	1	41	-1.0	-46.81	352.54	3.76	-43.05
CN1N=CC(Cl)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710439	0	34	-1.0	-44.43	319.41	2.61	-41.82
CN1N=CC(Cl)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710439	1	34	-1.0	-44.48	319.36	2.60	-41.88
CC1=CC(F)=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019710440	0	37	-1.0	-47.65	334.69	5.06	-42.59
CC1=CC(F)=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019710440	1	37	-1.0	-47.64	334.75	5.07	-42.57
CC1=CC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC(C)=C1	REAL300019710441	0	43	-1.0	-47.25	364.47	6.43	-40.82
CC1=CC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC(C)=C1	REAL300019710441	1	43	-1.0	-47.27	364.53	6.45	-40.82
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(N2CCCC2)=C1	REAL300019710442	0	46	-1.0	-47.65	375.03	4.93	-42.72
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(N2CCCC2)=C1	REAL300019710442	1	46	-1.0	-47.66	375.08	4.94	-42.72
CCOC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCC1	REAL300019710443	0	41	-1.0	-41.44	337.27	3.50	-37.94
CCOC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCC1	REAL300019710443	1	41	-1.0	-41.47	337.32	3.52	-37.95
COC1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1OC(C)C	REAL300019710444	0	48	-1.0	-49.74	390.60	6.29	-43.45
COC1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1OC(C)C	REAL300019710444	1	48	-1.0	-49.75	390.66	6.30	-43.45
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019710445	0	45	-1.0	-51.23	381.47	4.91	-46.32
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019710445	1	45	-1.0	-51.23	381.52	4.92	-46.31
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019710446	0	45	-1.0	-50.35	383.21	4.95	-45.40
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019710446	1	45	-1.0	-50.32	383.27	4.97	-45.35
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2CC(=O)NC2=NC=C1	REAL300019710447	0	38	-1.0	-49.66	332.43	2.10	-47.56
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2CC(=O)NC2=NC=C1	REAL300019710447	1	38	-1.0	-49.67	332.49	2.12	-47.55
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300019710448	0	41	-1.0	-45.17	371.78	4.63	-40.54
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019710448	1	41	-1.0	-45.14	371.83	4.65	-40.49
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019710449	0	50	-1.0	-45.58	407.64	7.95	-37.63
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019710449	1	50	-1.0	-45.56	407.70	7.96	-37.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019710450	0	34	-1.0	-46.79	328.64	4.81	-41.98
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019710450	1	34	-1.0	-46.80	328.70	4.82	-41.98
CCN1N=CC(Cl)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710451	0	37	-1.0	-44.51	341.32	3.48	-41.03
CCN1N=CC(Cl)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710451	1	37	-1.0	-44.53	341.26	3.47	-41.06
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300019710452	0	40	-1.0	-43.26	355.78	3.85	-39.41
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019710452	1	40	-1.0	-43.27	355.83	3.87	-39.40
COC(=O)C1=CN(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=C1	REAL300019710453	0	40	-1.0	-55.73	358.69	3.26	-52.47
COC(=O)C1=CN(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=C1	REAL300019710453	1	40	-1.0	-55.72	358.64	3.24	-52.48
C[C@@H](CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)NC(=O)OC(C)(C)C	REAL300019710454	0	50	-1.0	-53.19	407.24	3.18	-50.01
C[C@@H](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)NC(=O)OC(C)(C)C	REAL300019710454	1	50	-1.0	-53.19	407.29	3.19	-50.00
CN1C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C2=CC=CO2)=N1	REAL300019710455	0	41	-1.0	-54.59	360.78	4.89	-49.70
CN1C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C2=CC=CO2)=N1	REAL300019710455	1	41	-1.0	-54.60	360.73	4.88	-49.72
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300019710456	0	39	-1.0	-48.43	353.83	0.72	-47.71
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019710456	1	39	-1.0	-48.43	353.89	0.73	-47.70
COC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC1	REAL300019710457	0	41	-1.0	-46.06	339.81	4.35	-41.71
COC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC1	REAL300019710457	1	41	-1.0	-46.08	339.87	4.36	-41.72
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)OC(S(N)(=O)=O)=C1	REAL300019710458	0	39	-1.0	-48.11	355.47	-1.87	-49.98
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)OC(S(N)(=O)=O)=C1	REAL300019710458	1	39	-1.0	-48.08	355.53	-1.86	-49.94
CSC1=CC=C(O)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710459	0	39	-1.0	-46.77	345.74	3.88	-42.89
CSC1=CC=C(O)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710459	1	39	-1.0	-46.78	345.79	3.90	-42.88
CCCCC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C)C	REAL300019710460	0	48	-1.0	-44.08	373.85	6.42	-37.66
CCCCC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C)C	REAL300019710460	1	48	-1.0	-44.06	373.91	6.44	-37.62
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019710461	0	44	-1.0	-55.16	382.70	5.71	-49.45
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300019710461	1	44	-1.0	-55.19	382.64	5.69	-49.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019710462	0	53	-1.0	-44.41	395.02	8.70	-35.71
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019710462	1	53	-1.0	-44.41	395.08	8.71	-35.70
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019710463	0	38	-1.0	-45.21	343.11	2.85	-42.36
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019710463	1	38	-1.0	-45.19	343.17	2.87	-42.32
CCN1C=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710464	0	37	-1.0	-47.25	324.51	4.57	-42.68
CCN1C=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710464	1	37	-1.0	-47.24	324.45	4.56	-42.68
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019710465	0	36	-1.0	-44.22	307.69	2.27	-41.95
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019710465	1	36	-1.0	-44.23	307.75	2.29	-41.94
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CC2)CC1	REAL300019710466	0	44	-1.0	-44.74	353.95	5.97	-38.77
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CC2)CC1	REAL300019710466	1	44	-1.0	-44.73	354.01	5.98	-38.75
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2=CC(F)=CC=C21	REAL300019710467	0	41	-1.0	-46.21	349.57	6.26	-39.95
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2=CC(F)=CC=C21	REAL300019710467	1	41	-1.0	-46.21	349.62	6.27	-39.94
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1C	REAL300019710468	0	47	-1.0	-46.22	387.98	7.66	-38.56
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1C	REAL300019710468	1	47	-1.0	-46.21	388.04	7.68	-38.53
CCOCCN1C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019710469	0	44	-1.0	-46.21	379.18	3.09	-43.12
CCOCCN1C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019710469	1	44	-1.0	-46.19	379.13	3.08	-43.11
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(C(F)(F)F)SC=C1	REAL300019710470	0	34	-1.0	-49.77	321.60	4.55	-45.22
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(C(F)(F)F)SC=C1	REAL300019710470	1	34	-1.0	-49.77	321.66	4.56	-45.21
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710471	0	48	-1.0	-45.36	393.32	3.80	-41.56
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710471	1	48	-1.0	-45.33	393.38	3.82	-41.51
CN1N=C(Cl)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300019710472	0	34	-1.0	-44.57	336.99	2.92	-41.65
CN1N=C(Cl)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300019710472	1	34	-1.0	-44.58	336.94	2.90	-41.68
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC1CC1=CC=CC=C1	REAL300019710473	0	50	-1.0	-45.90	398.91	8.13	-37.77
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC1CC1=CC=CC=C1	REAL300019710473	1	50	-1.0	-45.89	398.97	8.14	-37.75
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019710474	0	47	-1.0	-44.28	387.64	6.88	-37.40
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019710474	1	47	-1.0	-44.30	387.58	6.86	-37.44
CN1C=C(Cl)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019710475	0	34	-1.0	-48.36	317.82	2.77	-45.59
CN1C=C(Cl)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019710475	1	34	-1.0	-48.37	317.76	2.75	-45.62
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2CCCC2)CCNC1=O	REAL300019710476	0	48	-1.0	-53.31	374.53	2.53	-50.78
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2CCCC2)CCNC1=O	REAL300019710476	1	48	-1.0	-53.26	374.59	2.55	-50.71
CCOC1=CC=CC(C=CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710477	0	45	-1.0	-48.06	382.88	5.85	-42.21
CCOC1=CC=CC(C=CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710477	1	45	-1.0	-48.06	382.94	5.86	-42.20
COC1=CC=C(C=CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019710478	0	42	-1.0	-47.22	360.97	4.93	-42.29
COC1=CC=C(C=CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019710478	1	42	-1.0	-47.21	361.02	4.94	-42.27
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710479	0	37	-1.0	-49.06	344.25	5.67	-43.39
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710479	1	37	-1.0	-49.08	344.30	5.68	-43.40
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Cl)SC=C1	REAL300019710480	0	31	-1.0	-46.38	302.07	3.96	-42.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Cl)SC=C1	REAL300019710480	1	31	-1.0	-46.40	302.13	3.97	-42.43
CC1(C)CC1(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019710481	0	47	-1.0	-43.86	386.72	7.40	-36.46
CC1(C)CC1(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019710481	1	47	-1.0	-43.88	386.78	7.41	-36.47
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710482	0	41	-1.0	-47.54	374.11	5.31	-42.23
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710482	1	41	-1.0	-47.50	374.17	5.32	-42.18
CC(=CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CS1	REAL300019710483	0	38	-1.0	-42.87	339.93	5.51	-37.36
CC(=CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CS1	REAL300019710483	1	38	-1.0	-42.87	339.98	5.52	-37.35
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CSC=C1C(F)(F)F	REAL300019710484	0	34	-1.0	-50.73	321.26	4.44	-46.29
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CSC=C1C(F)(F)F	REAL300019710484	1	34	-1.0	-50.73	321.32	4.46	-46.27
CCCC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019710485	0	46	-1.0	-45.28	391.16	8.04	-37.24
CCCC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019710485	1	46	-1.0	-45.28	391.22	8.05	-37.23
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710486	0	51	-1.0	-47.30	419.44	4.18	-43.12
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710486	1	51	-1.0	-47.31	419.50	4.20	-43.11
CC1=NC=CN=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710487	0	35	-1.0	-44.19	304.93	1.53	-42.66
CC1=NC=CN=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710487	1	35	-1.0	-44.21	304.87	1.52	-42.69
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710488	0	44	-1.0	-50.92	373.05	3.26	-47.66
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710488	1	44	-1.0	-50.88	373.00	3.24	-47.64
CN1C=C(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=N1	REAL300019710489	0	39	-1.0	-50.35	339.57	2.40	-47.95
CN1C=C(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=N1	REAL300019710489	1	39	-1.0	-50.33	339.63	2.42	-47.91
CCOCCOCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710490	0	47	-1.0	-50.61	394.15	3.16	-47.45
CCOCCOCCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710490	1	47	-1.0	-50.62	394.21	3.17	-47.45
COC1=CC=CC(C(OC)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710491	0	45	-1.0	-46.58	383.16	4.45	-42.13
COC1=CC=CC(C(OC)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710491	1	45	-1.0	-46.55	383.22	4.46	-42.09
COCCOCCOCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710492	0	51	-1.0	-52.02	427.78	2.52	-49.50
COCCOCCOCCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710492	1	51	-1.0	-52.05	427.83	2.54	-49.51
CSC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(C)O1	REAL300019710493	0	38	-1.0	-43.67	343.13	4.42	-39.25
CSC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(C)O1	REAL300019710493	1	38	-1.0	-43.66	343.19	4.44	-39.22
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710494	0	46	-1.0	-61.25	371.96	3.25	-58.00
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710494	1	46	-1.0	-61.26	371.90	3.24	-58.02
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=NO1	REAL300019710495	0	30	-1.0	-41.40	292.60	2.31	-39.09
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=NO1	REAL300019710495	1	30	-1.0	-41.39	292.55	2.29	-39.10
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1COC(=O)N1	REAL300019710496	0	33	-1.0	-55.79	294.03	-1.28	-57.07
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@H]1COC(=O)N1	REAL300019710496	1	33	-1.0	-55.79	294.09	-1.27	-57.06
CN1C(=O)NCC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710497	0	37	-1.0	-55.38	316.97	-0.08	-55.46
CN1C(=O)NCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710497	1	37	-1.0	-55.37	317.03	-0.07	-55.44
CCC(C)(C)C(=O)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710498	0	41	-1.0	-40.26	333.20	3.68	-36.58
CCC(C)(C)C(=O)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710498	1	41	-1.0	-40.28	333.15	3.67	-36.61
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710499	0	41	-1.0	-61.50	358.03	0.56	-60.94
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710499	1	41	-1.0	-61.52	358.09	0.58	-60.94
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(N2C=CC=C2)S1	REAL300019710500	0	42	-1.0	-47.36	371.19	7.35	-40.01
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(N2C=CC=C2)S1	REAL300019710500	1	42	-1.0	-47.36	371.25	7.36	-40.00
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019710501	0	40	-2.0	-98.74	353.78	4.22	-94.52
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019710501	1	40	-2.0	-98.74	353.72	4.20	-94.54
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019710501	1	40	-2.0	-99.81	354.44	4.19	-95.62
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019710501	1	40	-2.0	-99.80	354.38	4.18	-95.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019710502	0	37	-2.0	-77.52	340.03	1.10	-76.42
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019710502	1	37	-2.0	-77.50	339.97	1.09	-76.41
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019710502	1	37	-2.0	-77.57	339.96	1.10	-76.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019710502	1	37	-2.0	-77.54	339.91	1.09	-76.45
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC=C1C(F)(F)F	REAL300019710503	0	34	-1.0	-49.22	316.25	1.97	-47.25
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC=C1C(F)(F)F	REAL300019710503	1	34	-1.0	-49.27	316.19	1.95	-47.32
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710504	0	40	-1.0	-52.44	348.72	4.79	-47.65
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710504	1	40	-1.0	-52.45	348.78	4.80	-47.65
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710505	0	40	-2.0	-90.93	355.68	-0.38	-91.31
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710505	1	40	-2.0	-90.95	355.74	-0.37	-91.32
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2)=N1	REAL300019710506	0	46	-1.0	-49.82	389.54	5.46	-44.36
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2)=N1	REAL300019710506	1	46	-1.0	-49.85	389.48	5.45	-44.40
CC1=NOC(C2(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CC2)=C1	REAL300019710507	0	40	-1.0	-44.94	346.82	4.72	-40.22
CC1=NOC(C2(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CC2)=C1	REAL300019710507	1	40	-1.0	-44.96	346.87	4.73	-40.23
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710508	0	48	-1.0	-44.79	393.12	4.18	-40.61
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710508	1	48	-1.0	-44.77	393.17	4.20	-40.57
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CC1CN(C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019710510	1	43	-1.0	-47.45	352.36	1.56	-45.89
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CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019710510	1	44	0.0	-79.88	349.16	3.94	-75.94
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O=CC1=CC=C(F)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710554	1	36	-1.0	-52.87	324.87	4.25	-48.62
O=CC1=CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019710555	0	39	-1.0	-51.80	344.66	4.85	-46.95
O=CC1=CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019710555	1	39	-1.0	-51.81	344.71	4.86	-46.95
O=CC1=CNC2=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC=C12	REAL300019710556	0	40	-1.0	-53.65	350.01	4.25	-49.40
O=CC1=CNC2=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC=C12	REAL300019710556	1	40	-1.0	-53.65	350.07	4.26	-49.39
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019710557	0	41	-1.0	-46.82	354.80	-0.65	-47.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019710557	1	41	-1.0	-46.80	354.74	-0.67	-47.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019710558	0	45	-1.0	-48.76	374.54	3.37	-45.39
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019710558	1	45	-1.0	-48.76	374.60	3.38	-45.38
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(C(F)F)N=C2CCCCN21	REAL300019710559	0	44	-1.0	-47.13	376.91	5.17	-41.96
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(C(F)F)N=C2CCCCN21	REAL300019710559	1	44	-1.0	-47.12	376.97	5.19	-41.93
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CC=N1	REAL300019710560	0	38	-1.0	-49.51	327.44	1.83	-47.68
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CC=N1	REAL300019710560	1	38	-1.0	-49.52	327.50	1.84	-47.68
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C2SC=CC2=C1	REAL300019710561	0	36	-1.0	-46.25	328.76	3.92	-42.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C2SC=CC2=C1	REAL300019710561	1	36	-1.0	-46.24	328.70	3.90	-42.34
O=C(CC(F)(F)C(F)(F)F)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710562	0	33	-1.0	-48.32	311.56	3.42	-44.90
O=C(CC(F)(F)C(F)(F)F)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710562	1	33	-1.0	-48.35	311.62	3.44	-44.91
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C(Cl)N=CC=C2O1	REAL300019710563	0	36	-1.0	-44.88	339.68	3.53	-41.35
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=C(Cl)N=CC=C2O1	REAL300019710563	1	36	-1.0	-44.91	339.62	3.52	-41.39
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC(C(F)(F)F)=N1	REAL300019710564	0	33	-1.0	-41.80	317.66	0.19	-41.61
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC(C(F)(F)F)=N1	REAL300019710564	1	33	-1.0	-41.86	317.60	0.18	-41.68
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)C=NC=C1F	REAL300019710565	0	33	-1.0	-45.53	308.40	2.66	-42.87
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)C=NC=C1F	REAL300019710565	1	33	-1.0	-45.52	308.34	2.65	-42.87
COC1=CC=C(C=O)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710566	0	40	-1.0	-52.78	347.49	4.63	-48.15
COC1=CC=C(C=O)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710566	1	40	-1.0	-52.77	347.55	4.65	-48.12
O=CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019710567	0	36	-1.0	-49.16	324.81	4.24	-44.92
O=CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019710567	1	36	-1.0	-49.14	324.86	4.25	-44.89
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CSN=C1Cl	REAL300019710568	0	30	-1.0	-48.75	296.25	2.51	-46.24
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CSN=C1Cl	REAL300019710568	1	30	-1.0	-48.74	296.20	2.50	-46.24
CS(=O)(=O)N1CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710569	0	39	-1.0	-50.60	347.90	-0.59	-51.19
CS(=O)(=O)N1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019710569	1	39	-1.0	-50.61	347.96	-0.58	-51.19
O=C(CCOC1COC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710570	0	39	-1.0	-45.77	334.97	0.74	-45.03
O=C(CCOC1COC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710570	1	39	-1.0	-45.74	335.03	0.76	-44.98
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CSC=C1Cl	REAL300019710571	0	31	-1.0	-47.35	301.81	3.89	-43.46
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CSC=C1Cl	REAL300019710571	1	31	-1.0	-47.32	301.87	3.90	-43.42
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019710572	0	45	-1.0	-47.07	366.77	4.38	-42.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019710572	1	45	-1.0	-47.06	366.82	4.40	-42.66
CC1=NC(C2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)S2)=CS1	REAL300019710573	0	40	-1.0	-46.23	377.08	5.00	-41.23
CC1=NC(C2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)S2)=CS1	REAL300019710573	1	40	-1.0	-46.24	377.02	4.98	-41.26
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019710574	0	48	-1.0	-51.10	400.01	7.13	-43.97
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019710574	1	48	-1.0	-51.10	400.06	7.14	-43.96
CCC(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C)(C)C	REAL300019710575	0	48	-1.0	-44.31	363.67	5.50	-38.81
CCC(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C)(C)C	REAL300019710575	1	48	-1.0	-44.32	363.73	5.52	-38.80
CCC1=CC=C(F)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710576	0	40	-1.0	-43.24	337.77	5.91	-37.33
CCC1=CC=C(F)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710576	1	40	-1.0	-43.26	337.83	5.92	-37.34
COCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CS1	REAL300019710577	0	38	-1.0	-46.69	338.92	3.20	-43.49
COCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CS1	REAL300019710577	1	38	-1.0	-46.67	338.98	3.21	-43.46
CN1C=CC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C21	REAL300019710578	0	41	-1.0	-47.51	350.42	6.19	-41.32
CN1C=CC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C21	REAL300019710578	1	41	-1.0	-47.53	350.48	6.20	-41.33
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019710579	0	46	-1.0	-47.06	387.18	6.46	-40.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019710579	1	46	-1.0	-47.06	387.13	6.45	-40.61
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2CCCCO2)CCC1	REAL300019710580	0	48	-1.0	-46.39	371.60	5.78	-40.61
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2CCCCO2)CCC1	REAL300019710580	1	48	-1.0	-46.38	371.66	5.79	-40.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019710581	0	46	-1.0	-47.36	391.55	7.44	-39.92
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019710581	1	46	-1.0	-47.35	391.61	7.45	-39.90
COC1=CC=C(F)C(OC)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710582	0	42	-1.0	-49.41	367.82	3.26	-46.15
COC1=CC=C(F)C(OC)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710582	1	42	-1.0	-49.41	367.87	3.28	-46.13
COC1=CC=NC(OC)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710583	0	41	-1.0	-49.58	357.10	0.43	-49.15
COC1=CC=NC(OC)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710583	1	41	-1.0	-49.58	357.04	0.42	-49.16
COC(=O)C1=NN(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710584	0	40	-1.0	-45.09	352.80	2.73	-42.36
COC(=O)C1=NN(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710584	1	40	-1.0	-45.08	352.74	2.71	-42.37
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C[C@H]1C	REAL300019710585	0	44	-1.0	-52.87	374.10	4.51	-48.36
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C[C@H]1C	REAL300019710585	1	44	-1.0	-52.85	374.16	4.52	-48.33
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710586	0	35	-1.0	-44.26	338.52	5.36	-38.90
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710586	1	35	-1.0	-44.24	338.58	5.38	-38.86
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(C2CCOCC2)C=C1	REAL300019710587	0	45	-1.0	-46.22	374.83	3.09	-43.13
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(C2CCOCC2)C=C1	REAL300019710587	1	45	-1.0	-46.20	374.77	3.08	-43.12
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)OC2=O	REAL300019710588	0	47	-1.0	-45.33	374.43	4.99	-40.34
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)OC2=O	REAL300019710588	1	47	-1.0	-45.31	374.49	5.00	-40.31
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C(C2=CC=CC=C2)O1	REAL300019710589	0	44	-1.0	-44.72	378.09	6.97	-37.75
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C(C2=CC=CC=C2)O1	REAL300019710589	1	44	-1.0	-44.74	378.15	6.98	-37.76
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CNC(=O)C2=CC=CC=C21	REAL300019710590	0	42	-1.0	-57.12	356.77	2.79	-54.33
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CNC(=O)C2=CC=CC=C21	REAL300019710590	1	42	-1.0	-57.14	356.83	2.81	-54.33
O=C(CC1CCC(F)(F)CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710591	0	43	-1.0	-46.34	352.34	5.53	-40.81
O=C(CC1CCC(F)(F)CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710591	1	43	-1.0	-46.31	352.40	5.55	-40.76
CC1=CN(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=C1C(F)(F)F	REAL300019710592	0	40	-1.0	-57.27	363.54	4.17	-53.10
CC1=CN(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=C1C(F)(F)F	REAL300019710592	1	40	-1.0	-57.25	363.48	4.15	-53.10
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019710593	0	44	-1.0	-46.03	370.71	7.14	-38.89
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019710593	1	44	-1.0	-46.08	370.76	7.15	-38.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C(F)F)O1	REAL300019710594	0	34	-1.0	-43.63	316.03	3.56	-40.07
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C(F)F)O1	REAL300019710594	1	34	-1.0	-43.65	316.09	3.57	-40.08
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(C(F)F)N=CO1	REAL300019710595	0	33	-1.0	-47.20	303.80	0.04	-47.16
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(C(F)F)N=CO1	REAL300019710595	1	33	-1.0	-47.16	303.86	0.05	-47.11
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C#CCO)=C1	REAL300019710596	0	40	-1.0	-50.74	357.52	3.23	-47.51
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C#CCO)=C1	REAL300019710596	1	40	-1.0	-50.76	357.58	3.25	-47.51
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N=C[N-]1	REAL300019710597	0	32	-2.0	-82.42	296.03	0.18	-82.24
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N=C[N-]1	REAL300019710597	1	32	-2.0	-82.45	295.97	0.17	-82.28
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N=CN1	REAL300019710597	1	33	-1.0	-61.41	297.33	0.69	-60.72
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N=CN1	REAL300019710597	1	33	-1.0	-61.43	297.27	0.67	-60.76
O=C(CN1CCOC1=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710598	0	36	-1.0	-57.19	316.89	1.93	-55.26
O=C(CN1CCOC1=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710598	1	36	-1.0	-57.21	316.95	1.95	-55.26
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710599	0	48	-1.0	-47.65	396.28	-1.16	-48.81
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710599	1	48	-1.0	-47.64	396.34	-1.14	-48.78
O=C(CCCN1C=NC=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710600	0	39	-1.0	-56.24	340.08	5.35	-50.89
O=C(CCCN1C=NC=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710600	1	39	-1.0	-56.21	340.02	5.34	-50.87
CC1=C(C=O)C(C)=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N1	REAL300019710601	0	40	-1.0	-53.84	342.76	3.24	-50.60
CC1=C(C=O)C(C)=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N1	REAL300019710601	1	40	-1.0	-53.82	342.70	3.23	-50.59
O=C(CN1CCNC(=O)C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710602	0	40	-1.0	-55.69	333.66	-1.47	-57.16
O=C(CN1CCNC(=O)C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710602	1	40	-1.0	-55.67	333.72	-1.46	-57.13
CCCC=CC(O)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710603	0	41	-1.0	-45.03	349.85	2.85	-42.18
CCCC=CC(O)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710603	1	41	-1.0	-45.06	349.91	2.86	-42.20
COC1=CC(CO)=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710604	0	42	-1.0	-50.39	356.88	2.20	-48.19
COC1=CC(CO)=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710604	1	42	-1.0	-50.42	356.94	2.22	-48.20
O=C(CC1CCN(CC(F)F)CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710605	0	48	-1.0	-48.63	379.39	3.44	-45.19
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COC1=CC(OC)=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1C=O	REAL300019710606	0	44	-1.0	-53.93	374.37	5.26	-48.67
COC1=CC(OC)=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1C=O	REAL300019710606	1	44	-1.0	-53.98	374.43	5.28	-48.70
NC1=C2N=CN(CCCC(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C2=NC=N1	REAL300019710607	0	46	-1.0	-57.35	396.43	5.30	-52.05
NC1=C2N=CN(CCCC(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C2=NC=N1	REAL300019710607	1	46	-1.0	-57.33	396.37	5.29	-52.04
CC(C)(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019710608	0	49	0.0	-67.33	366.50	5.75	-61.58
CC(C)(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N1CCCCC1	REAL300019710608	1	48	-1.0	-42.17	366.97	3.83	-38.34
CC(C)(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N1CCCCC1	REAL300019710608	1	48	-1.0	-42.17	367.03	3.85	-38.32
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CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(Cl)=NN1	REAL300019710610	0	34	-1.0	-47.06	319.18	1.79	-45.27
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(Cl)=NN1	REAL300019710610	1	34	-1.0	-47.09	319.24	1.80	-45.29
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CC1=NC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300019710612	0	36	-1.0	-52.15	319.06	0.71	-51.44
CC1=NC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019710612	1	36	-1.0	-52.13	319.12	0.73	-51.40
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C[NH+]1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019710623	1	43	0.0	-73.84	341.63	4.51	-69.33
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CCOC(=O)C1CCCN(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710629	0	51	-1.0	-46.71	413.36	4.08	-42.63
CCOC(=O)C1CCCN(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019710629	1	51	-1.0	-46.68	413.42	4.09	-42.59
CCC(C)C(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N1C=CC=C1C=O	REAL300019710630	0	49	-1.0	-45.78	387.94	6.77	-39.01
CCC(C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N1C=CC=C1C=O	REAL300019710630	1	49	-1.0	-45.81	388.00	6.78	-39.03
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CC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N1C	REAL300019710632	0	37	-1.0	-45.85	316.87	3.36	-42.49
CC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N1C	REAL300019710632	1	37	-1.0	-45.86	316.93	3.38	-42.48
CC1=C(C(F)(F)F)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1	REAL300019710633	0	37	-1.0	-47.82	331.52	2.43	-45.39
CC1=C(C(F)(F)F)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1	REAL300019710633	1	37	-1.0	-47.82	331.47	2.42	-45.40
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710634	0	35	-1.0	-54.09	305.97	0.03	-54.06
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710634	1	35	-1.0	-54.15	306.02	0.05	-54.10
CC[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300019710635	0	42	0.0	-65.62	327.66	3.89	-61.73
CC[C@@H](C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N(C)C	REAL300019710635	1	41	-1.0	-43.67	327.22	1.71	-41.96
CC[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N(C)C	REAL300019710635	1	41	-1.0	-43.68	327.28	1.73	-41.95
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CC[C@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300019710637	0	42	0.0	-65.39	327.21	3.90	-61.49
CC[C@H](C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N(C)C	REAL300019710637	1	41	-1.0	-43.16	327.12	1.77	-41.39
CC[C@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N(C)C	REAL300019710637	1	41	-1.0	-43.14	327.18	1.79	-41.35
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CN1CCOC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C21	REAL300019710639	0	44	-1.0	-47.75	362.62	3.04	-44.71
CN1CCOC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C21	REAL300019710639	1	44	-1.0	-47.73	362.68	3.06	-44.67
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CC1CCN2C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)N=C2C1	REAL300019710640	1	44	-1.0	-46.00	364.92	5.21	-40.79
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710641	0	50	0.0	-67.23	377.94	3.91	-63.32
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710641	1	50	0.0	-67.27	377.99	3.92	-63.35
CC(C)(CN1CCOCC1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710641	1	49	-1.0	-46.29	377.30	2.36	-43.93
CC(C)(CN1CCOCC1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710641	1	49	-1.0	-46.31	377.36	2.38	-43.93
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710642	0	48	0.0	-67.91	369.74	3.05	-64.86
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710642	1	48	0.0	-66.25	368.54	2.60	-63.65
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CC(C(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL300019712205	1	36	-1.0	-43.42	319.05	3.83	-39.59
COC1(C2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2)COC1	REAL300019712206	0	46	-1.0	-47.70	377.45	3.73	-43.97
COC1(C2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2)COC1	REAL300019712206	1	46	-1.0	-47.70	377.50	3.75	-43.95
CC1=CNC(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019712207	0	40	-1.0	-47.49	344.36	3.19	-44.30
CC1=CNC(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019712207	1	40	-1.0	-47.48	344.42	3.20	-44.28
O=C(CN1CC(C(F)(F)F)CCC1=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712208	0	44	-1.0	-50.23	379.68	4.31	-45.92
O=C(CN1CC(C(F)(F)F)CCC1=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712208	1	44	-1.0	-50.25	379.74	4.32	-45.93
CCC1=NC=C(Cl)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019712209	0	38	-1.0	-42.21	345.11	3.63	-38.58
CCC1=NC=C(Cl)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019712209	1	38	-1.0	-42.16	345.06	3.61	-38.55
CC1=CC2=C(C=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)N2)S1	REAL300019712210	0	38	-1.0	-45.72	342.53	4.27	-41.45
CC1=CC2=C(C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)N2)S1	REAL300019712210	1	38	-1.0	-45.69	342.48	4.25	-41.44
CC12CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(C1)C(C)(C)O2	REAL300019712211	0	45	-1.0	-45.66	359.44	3.65	-42.01
CC12CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(C1)C(C)(C)O2	REAL300019712211	1	45	-1.0	-45.68	359.50	3.67	-42.01
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300019712212	0	41	-1.0	-48.79	370.81	6.86	-41.93
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300019712212	1	41	-1.0	-48.80	370.87	6.88	-41.92
CC(C)(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N1C=NN=N1	REAL300019712213	0	38	-1.0	-60.25	325.34	2.64	-57.61
CC(C)(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N1C=NN=N1	REAL300019712213	1	38	-1.0	-60.27	325.28	2.63	-57.64
CC(C)(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CN=C1	REAL300019712214	0	41	-1.0	-49.05	342.93	3.98	-45.07
CC(C)(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CN=C1	REAL300019712214	1	41	-1.0	-49.05	342.88	3.97	-45.08
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2CCCO2)CCCC1	REAL300019712215	0	48	-1.0	-42.67	367.44	5.02	-37.65
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2CCCO2)CCCC1	REAL300019712215	1	48	-1.0	-42.67	367.50	5.03	-37.64
COCC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC=CC1	REAL300019712216	0	42	-1.0	-43.54	345.78	4.10	-39.44
COCC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC=CC1	REAL300019712216	1	42	-1.0	-43.55	345.84	4.11	-39.44
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)=C2	REAL300019712217	0	50	-1.0	-48.40	397.91	4.96	-43.44
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)=C2	REAL300019712217	1	50	-1.0	-48.37	397.97	4.98	-43.39
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019712218	0	34	-2.0	-75.73	317.68	0.89	-74.84
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019712218	1	34	-2.0	-75.75	317.74	0.90	-74.85
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CC=CCO1	REAL300019712219	0	39	-1.0	-41.53	338.74	3.57	-37.96
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC=CCO1	REAL300019712219	1	39	-1.0	-41.55	338.79	3.58	-37.97
CCCC(CC)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712220	0	45	-1.0	-44.96	353.93	5.44	-39.52
CCCC(CC)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712220	1	45	-1.0	-44.96	353.98	5.45	-39.51
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC2=C1CSC2	REAL300019712221	0	36	-1.0	-49.23	326.73	4.05	-45.18
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC2=C1CSC2	REAL300019712221	1	36	-1.0	-49.22	326.78	4.06	-45.16
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712222	0	55	-1.0	-44.36	434.16	8.72	-35.64
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712222	1	55	-1.0	-44.40	434.22	8.73	-35.67
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CNC(=O)CC12CCOC2	REAL300019712223	0	46	-1.0	-53.55	362.97	0.31	-53.24
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CNC(=O)CC12CCOC2	REAL300019712223	1	46	-1.0	-53.51	363.03	0.33	-53.18
CC1=CC=C2OC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C2=C1	REAL300019712224	0	40	-1.0	-50.79	347.13	5.44	-45.35
CC1=CC=C2OC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C2=C1	REAL300019712224	1	40	-1.0	-50.77	347.19	5.45	-45.32
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2SCCCC2=C1	REAL300019712225	0	42	-1.0	-45.05	359.38	6.63	-38.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2SCCCC2=C1	REAL300019712225	1	42	-1.0	-45.06	359.44	6.64	-38.42
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2SCCCCC2=C1	REAL300019712226	0	45	-1.0	-45.30	376.36	7.25	-38.05
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2SCCCCC2=C1	REAL300019712226	1	45	-1.0	-45.28	376.42	7.26	-38.02
CC1=CC=C2C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=COC2=C1	REAL300019712227	0	40	-1.0	-49.48	347.12	5.45	-44.03
CC1=CC=C2C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=COC2=C1	REAL300019712227	1	40	-1.0	-49.54	347.18	5.46	-44.08
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712228	0	42	-1.0	-54.00	354.60	-0.51	-54.51
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712228	1	42	-1.0	-54.01	354.66	-0.49	-54.50
COC(=O)CCC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019712229	0	46	-1.0	-49.29	395.38	6.67	-42.62
COC(=O)CCC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019712229	1	46	-1.0	-49.27	395.44	6.69	-42.58
CC(C)=CCC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019712230	0	47	-1.0	-44.66	395.90	7.83	-36.83
CC(C)=CCC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019712230	1	47	-1.0	-44.66	395.96	7.85	-36.81
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C(C=C(Cl)S2)N1	REAL300019712231	0	35	-1.0	-43.99	337.71	4.08	-39.91
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=C(C=C(Cl)S2)N1	REAL300019712231	1	35	-1.0	-44.03	337.65	4.07	-39.96
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300019712232	0	41	-1.0	-45.75	363.54	4.01	-41.74
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300019712232	1	41	-1.0	-45.75	363.49	4.00	-41.75
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712233	0	42	-1.0	-52.26	362.62	5.49	-46.77
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712233	1	42	-1.0	-52.24	362.57	5.48	-46.76
COC1(C(F)(F)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCOCC1	REAL300019712234	0	45	-1.0	-42.29	362.77	3.02	-39.27
COC1(C(F)(F)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCOCC1	REAL300019712234	1	45	-1.0	-42.28	362.83	3.03	-39.25
CC(C)(C)C1=NN(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=N1	REAL300019712235	0	44	-1.0	-54.07	375.49	2.78	-51.29
CC(C)(C)C1=NN(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=N1	REAL300019712235	1	44	-1.0	-54.07	375.44	2.76	-51.31
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C(F)(F)C12CC2	REAL300019712236	0	35	-1.0	-44.85	317.63	4.52	-40.33
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C(F)(F)C12CC2	REAL300019712236	1	35	-1.0	-44.87	317.68	4.54	-40.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300019712237	0	45	-1.0	-45.94	377.81	7.68	-38.26
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300019712237	1	45	-1.0	-45.91	377.87	7.70	-38.21
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(C2CC2(F)F)C=C1	REAL300019712238	0	38	-1.0	-50.77	345.55	3.96	-46.81
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(C2CC2(F)F)C=C1	REAL300019712238	1	38	-1.0	-50.82	345.50	3.95	-46.87
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)C1=CC=C(F)C=C1	REAL300019712239	0	37	-1.0	-47.39	331.60	5.22	-42.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)C1=CC=C(F)C=C1	REAL300019712239	1	37	-1.0	-47.40	331.66	5.23	-42.17
C=CCOC(=O)NCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712240	0	39	-1.0	-46.11	345.91	0.73	-45.38
C=CCOC(=O)NCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712240	1	39	-1.0	-46.12	345.96	0.75	-45.37
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300019712241	0	48	-1.0	-46.85	388.45	7.91	-38.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300019712241	1	48	-1.0	-46.86	388.51	7.92	-38.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300019712242	0	44	-1.0	-52.44	376.54	4.93	-47.51
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300019712242	1	44	-1.0	-52.43	376.48	4.91	-47.52
COCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)OC=C1	REAL300019712243	0	38	-1.0	-44.76	333.22	2.27	-42.49
COCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)OC=C1	REAL300019712243	1	38	-1.0	-44.80	333.28	2.28	-42.52
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC2=CC(F)=CC(F)=C12	REAL300019712244	0	37	-1.0	-51.95	335.54	4.91	-47.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC2=CC(F)=CC(F)=C12	REAL300019712244	1	37	-1.0	-51.94	335.59	4.92	-47.02
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(CCCF)N=N1	REAL300019712245	0	39	-1.0	-47.80	347.83	2.52	-45.28
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(CCCF)N=N1	REAL300019712245	1	39	-1.0	-47.83	347.78	2.51	-45.32
N#CC1=C2N=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CN2N=C1	REAL300019712246	0	37	-1.0	-50.15	340.41	3.84	-46.31
N#CC1=C2N=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CN2N=C1	REAL300019712246	1	37	-1.0	-50.22	340.35	3.82	-46.40
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC=C(OCC2CC2)C=C1F	REAL300019712247	0	44	-1.0	-45.87	381.91	4.59	-41.28
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC=C(OCC2CC2)C=C1F	REAL300019712247	1	44	-1.0	-45.88	381.85	4.57	-41.31
CN1N=CC2=C1SC(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)=C2	REAL300019712248	0	37	-1.0	-46.24	338.50	3.56	-42.68
CN1N=CC2=C1SC(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)=C2	REAL300019712248	1	37	-1.0	-46.25	338.44	3.55	-42.70
COC1=CC=CC=C1N1C=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712249	0	45	-1.0	-46.89	389.77	6.23	-40.66
COC1=CC=CC=C1N1C=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712249	1	45	-1.0	-46.90	389.71	6.22	-40.68
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C(C2CCOCC2)N=C1	REAL300019712250	0	46	-1.0	-46.00	382.40	3.15	-42.85
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C(C2CCOCC2)N=C1	REAL300019712250	1	46	-1.0	-46.02	382.45	3.16	-42.86
CC(=O)C1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=CC=CC=C2N=C1	REAL300019712251	0	44	-1.0	-52.06	377.99	5.07	-46.99
CC(=O)C1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=CC=CC=C2N=C1	REAL300019712251	1	44	-1.0	-52.01	378.05	5.08	-46.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2C=CCC(C2)C1	REAL300019712252	0	45	-1.0	-45.79	328.33	6.19	-39.60
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2C=CCC(C2)C1	REAL300019712252	1	45	-1.0	-45.81	328.39	6.21	-39.60
COC1=CN=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712253	0	37	-1.0	-46.12	321.64	1.92	-44.20
COC1=CN=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712253	1	37	-1.0	-46.09	321.59	1.91	-44.18
CC1CCN(C2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2)CC1	REAL300019712254	0	52	-1.0	-45.52	410.59	6.29	-39.23
CC1CCN(C2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2)CC1	REAL300019712254	1	52	-1.0	-45.53	410.65	6.31	-39.22
O=C(C[C@H]1COC(=O)N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712255	0	36	-1.0	-53.64	312.81	-0.48	-54.12
O=C(C[C@H]1COC(=O)N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712255	1	36	-1.0	-53.61	312.87	-0.46	-54.07
O=C(CC1=CC=NC=C1Cl)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712256	0	36	-1.0	-48.74	330.92	3.76	-44.98
O=C(CC1=CC=NC=C1Cl)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712256	1	36	-1.0	-48.76	330.97	3.77	-44.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC=C(O)C=C2N1	REAL300019712257	0	39	-1.0	-45.95	341.58	1.54	-44.41
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC=C(O)C=C2N1	REAL300019712257	1	39	-1.0	-46.00	341.52	1.53	-44.47
CC1=CC(=O)N2N=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2N1	REAL300019712258	0	40	-1.0	-53.73	350.66	2.83	-50.90
CC1=CC(=O)N2N=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2N1	REAL300019712258	1	40	-1.0	-53.73	350.72	2.84	-50.89
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712259	0	45	-1.0	-47.56	374.76	3.45	-44.11
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712259	1	45	-1.0	-47.55	374.82	3.46	-44.09
CS(=N)(=O)C1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712260	0	41	-1.0	-55.43	364.13	1.19	-54.24
CS(=N)(=O)C1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712260	1	41	-1.0	-55.44	364.19	1.21	-54.23
COC1=CC=C(C(C)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300019712261	0	44	-1.0	-51.62	373.25	5.03	-46.59
COC1=CC=C(C(C)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300019712261	1	44	-1.0	-51.63	373.31	5.04	-46.59
COC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(F)(F)C1	REAL300019712262	0	41	-1.0	-50.07	347.91	4.24	-45.83
COC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(F)(F)C1	REAL300019712262	1	41	-1.0	-50.06	347.97	4.25	-45.81
CC(C)C(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC=N1	REAL300019712263	0	42	-1.0	-50.87	352.88	3.86	-47.01
CC(C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC=N1	REAL300019712263	1	42	-1.0	-50.84	352.94	3.88	-46.96
CC(C)C(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN=CN1	REAL300019712263	1	42	-1.0	-46.57	345.38	4.66	-41.91
CC(C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN=CN1	REAL300019712263	1	42	-1.0	-46.56	345.44	4.68	-41.88
O=C(COC1CCCOC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712264	0	42	-1.0	-48.65	349.21	2.65	-46.00
O=C(COC1CCCOC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712264	1	42	-1.0	-48.65	349.26	2.66	-45.99
CC(C)(C)C1(C)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019712265	0	49	-1.0	-44.62	375.41	5.89	-38.73
CC(C)(C)C1(C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019712265	1	49	-1.0	-44.64	375.46	5.90	-38.74
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300019712266	0	40	-1.0	-43.20	363.41	2.99	-40.21
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300019712266	1	40	-1.0	-43.19	363.35	2.98	-40.21
CC(C)NC(=O)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712267	0	37	-1.0	-41.80	321.00	0.60	-41.20
CC(C)NC(=O)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712267	1	37	-1.0	-41.81	321.06	0.62	-41.19
O=C(COCC1=NC(C2CC2)=NO1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712268	0	43	-1.0	-56.58	378.82	2.53	-54.05
O=C(COCC1=NC(C2CC2)=NO1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712268	1	43	-1.0	-56.60	378.88	2.54	-54.06
CN1CCC2=CC(CC(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC=C21	REAL300019712269	0	46	-1.0	-48.87	382.15	4.96	-43.91
CN1CCC2=CC(CC(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC=C21	REAL300019712269	1	46	-1.0	-48.86	382.21	4.98	-43.88
CC1=CC(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1C	REAL300019712270	0	43	-1.0	-48.28	365.36	4.07	-44.21
CC1=CC(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1C	REAL300019712270	1	43	-1.0	-48.29	365.42	4.08	-44.21
O=C(CN1C=NC(Br)=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712271	0	34	-1.0	-54.42	324.27	4.69	-49.73
O=C(CN1C=NC(Br)=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712271	1	34	-1.0	-54.41	324.21	4.68	-49.73
CN1N=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300019712272	0	34	-1.0	-44.35	309.18	2.19	-42.16
CN1N=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300019712272	1	34	-1.0	-44.35	309.12	2.18	-42.17
CC1(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1(F)F	REAL300019712273	0	37	-1.0	-44.07	318.43	4.22	-39.85
CC1(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1(F)F	REAL300019712273	1	37	-1.0	-44.09	318.49	4.23	-39.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@]12CCC[C@H]1CC(=O)C2	REAL300019712274	0	43	-1.0	-50.64	348.68	4.69	-45.95
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@]12CCC[C@H]1CC(=O)C2	REAL300019712274	1	43	-1.0	-50.63	348.74	4.71	-45.92
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)CC1CC1	REAL300019712275	0	37	-1.0	-45.19	321.32	4.50	-40.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)CC1CC1	REAL300019712275	1	37	-1.0	-45.15	321.37	4.51	-40.64
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2C(=C1)CNC2=O	REAL300019712276	0	39	-1.0	-49.53	339.00	1.92	-47.61
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2C(=C1)CNC2=O	REAL300019712276	1	39	-1.0	-49.56	339.05	1.93	-47.63
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC=C(Cl)C=N1	REAL300019712277	0	32	-1.0	-44.95	306.70	2.41	-42.54
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC=C(Cl)C=N1	REAL300019712277	1	32	-1.0	-44.96	306.64	2.40	-42.56
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(CCN2CCOCC2)N=N1	REAL300019712278	0	49	-1.0	-46.26	408.01	0.09	-46.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(CCN2CCOCC2)N=N1	REAL300019712278	1	49	-1.0	-46.28	408.07	0.11	-46.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)N=C1F	REAL300019712279	0	36	-1.0	-51.45	336.85	3.76	-47.69
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)N=C1F	REAL300019712279	1	36	-1.0	-51.44	336.79	3.75	-47.69
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)S(N)(=O)=O	REAL300019712280	0	35	-1.0	-57.95	314.00	-2.45	-60.40
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)S(N)(=O)=O	REAL300019712280	1	35	-1.0	-57.94	314.06	-2.44	-60.38
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC2=C1C(=O)NC=N2	REAL300019712281	0	36	-1.0	-56.61	323.48	2.07	-54.54
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC2=C1C(=O)NC=N2	REAL300019712281	1	36	-1.0	-56.63	323.42	2.06	-54.57
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC2=C1C(O)CCC2	REAL300019712282	0	42	-1.0	-50.07	350.04	3.03	-47.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC2=C1C(O)CCC2	REAL300019712282	1	42	-1.0	-50.05	350.10	3.05	-47.00
CC1=CNC(C=CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019712283	0	38	-1.0	-47.39	335.59	3.17	-44.22
CC1=CNC(C=CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019712283	1	38	-1.0	-47.36	335.65	3.18	-44.18
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1C(F)F	REAL300019712284	0	37	-1.0	-46.57	325.23	5.18	-41.39
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1C(F)F	REAL300019712284	1	37	-1.0	-46.59	325.29	5.19	-41.40
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C2=CC=CN=C2)=NO1	REAL300019712285	0	39	-1.0	-43.96	350.48	3.68	-40.28
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C2=CC=CN=C2)=NO1	REAL300019712285	1	39	-1.0	-43.99	350.42	3.67	-40.32
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(O)C1CCCCCC1	REAL300019712286	0	47	-1.0	-44.56	358.51	4.10	-40.46
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(O)C1CCCCCC1	REAL300019712286	1	47	-1.0	-44.57	358.57	4.11	-40.46
CCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=NN1CC	REAL300019712287	0	43	-1.0	-46.34	361.75	4.27	-42.07
CCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=NN1CC	REAL300019712287	1	43	-1.0	-46.34	361.81	4.29	-42.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(O)C1=CC(F)=CC(F)=C1	REAL300019712288	0	38	-1.0	-46.87	342.40	3.22	-43.65
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(O)C1=CC(F)=CC(F)=C1	REAL300019712288	1	38	-1.0	-46.88	342.46	3.23	-43.65
N#CC1=CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019712289	0	38	-1.0	-50.29	347.67	5.53	-44.76
N#CC1=CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019712289	1	38	-1.0	-50.29	347.73	5.54	-44.75
CCC(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC1	REAL300019712290	0	43	-1.0	-44.73	349.42	5.61	-39.12
CCC(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC1	REAL300019712290	1	43	-1.0	-44.67	349.48	5.62	-39.05
O=C(CC(C1=CC=CC=C1)C(F)F)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712291	0	43	-1.0	-44.13	365.81	6.43	-37.70
O=C(CC(C1=CC=CC=C1)C(F)F)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712291	1	43	-1.0	-44.09	365.87	6.45	-37.64
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2CCOCC2=C1	REAL300019712292	0	42	-1.0	-46.45	350.77	4.50	-41.95
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2CCOCC2=C1	REAL300019712292	1	42	-1.0	-46.47	350.83	4.51	-41.96
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1Cl	REAL300019712293	0	39	-1.0	-43.99	356.36	6.03	-37.96
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1Cl	REAL300019712293	1	39	-1.0	-44.01	356.42	6.05	-37.96
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C2C(=O)CCCC2=N1	REAL300019712294	0	45	-1.0	-51.67	377.16	6.01	-45.66
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C2C(=O)CCCC2=N1	REAL300019712294	1	45	-1.0	-51.70	377.22	6.03	-45.67
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2(C1)CCOCC2	REAL300019712295	0	43	-1.0	-45.48	356.78	4.09	-41.39
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2(C1)CCOCC2	REAL300019712295	1	43	-1.0	-45.47	356.83	4.11	-41.36
NC1=NC(C(F)(F)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CS1	REAL300019712296	0	35	-1.0	-44.88	330.44	1.83	-43.05
NC1=NC(C(F)(F)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CS1	REAL300019712296	1	35	-1.0	-44.88	330.39	1.81	-43.07
CCC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N1C=CC=N1	REAL300019712297	0	40	-1.0	-45.71	337.68	3.85	-41.86
CCC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N1C=CC=N1	REAL300019712297	1	40	-1.0	-45.72	337.63	3.83	-41.89
CCOCC1=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CS1	REAL300019712298	0	40	-1.0	-44.81	361.81	2.17	-42.64
CCOCC1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CS1	REAL300019712298	1	40	-1.0	-44.80	361.75	2.16	-42.64
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=NN1C1CCOC1	REAL300019712299	0	44	-1.0	-46.94	370.28	1.55	-45.39
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=NN1C1CCOC1	REAL300019712299	1	44	-1.0	-46.90	370.22	1.54	-45.36
CC(=O)C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300019712300	0	39	-1.0	-48.86	342.04	4.91	-43.95
CC(=O)C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300019712300	1	39	-1.0	-48.88	342.10	4.93	-43.95
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2(CC(=O)N2)C1	REAL300019712301	0	39	-1.0	-51.99	334.40	0.47	-51.52
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2(CC(=O)N2)C1	REAL300019712301	1	39	-1.0	-52.02	334.46	0.48	-51.54
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2=NN=NN2C1	REAL300019712302	0	39	-1.0	-50.01	330.54	2.16	-47.85
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CC1=NC=C2CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CCC2=N1	REAL300019712379	1	45	-1.0	-47.96	372.29	4.76	-43.20
CC1=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C(F)(F)F)=CO1	REAL300019712380	0	40	-1.0	-47.68	362.08	4.88	-42.80
CC1=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C(F)(F)F)=CO1	REAL300019712380	1	40	-1.0	-47.69	362.14	4.89	-42.80
CCC1=NC=C2CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CCC2=N1	REAL300019712381	0	48	-1.0	-47.80	394.64	5.35	-42.45
CCC1=NC=C2CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CCC2=N1	REAL300019712381	1	48	-1.0	-47.81	394.70	5.36	-42.45
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CC1=CN(CC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2)N=C1	REAL300019712383	0	47	-1.0	-50.51	402.51	6.79	-43.72
CC1=CN(CC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2)N=C1	REAL300019712383	1	47	-1.0	-50.48	402.45	6.77	-43.71
COCCC(C)(C)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712384	0	46	-1.0	-44.72	362.73	3.56	-41.16
COCCC(C)(C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712384	1	46	-1.0	-44.74	362.79	3.58	-41.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL300019712385	0	48	-1.0	-42.98	371.05	6.83	-36.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL300019712385	1	48	-1.0	-42.97	371.11	6.85	-36.12
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL300019712386	0	48	-1.0	-46.91	385.98	7.10	-39.81
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CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCNS1(=O)=O	REAL300019712387	0	42	-1.0	-44.51	348.41	-0.41	-44.92
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCCNS1(=O)=O	REAL300019712387	1	42	-1.0	-44.51	348.47	-0.40	-44.91
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CCSC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712389	0	37	-1.0	-46.67	324.45	4.02	-42.65
CCSC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712389	1	37	-1.0	-46.66	324.51	4.03	-42.63
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CCC1(C)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019712391	0	43	-1.0	-44.15	345.90	5.14	-39.01
CCC1(C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019712391	1	43	-1.0	-44.17	345.96	5.16	-39.01
CC(C)(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C)(F)F	REAL300019712392	0	42	-1.0	-42.66	338.58	4.57	-38.09
CC(C)(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C)(F)F	REAL300019712392	1	42	-1.0	-42.65	338.64	4.58	-38.07
CN1C=CC(C23CC(CC2)C3C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019712393	0	48	-1.0	-51.01	391.44	5.83	-45.18
CN1C=CC(C23CC(CC2)C3C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019712393	1	48	-1.0	-50.99	391.38	5.82	-45.17
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O=C(CCC=CBr)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712394	1	34	-1.0	-45.17	317.48	4.18	-40.99
CC(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)F	REAL300019712395	0	36	-1.0	-46.73	310.82	3.71	-43.02
CC(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)F	REAL300019712395	1	36	-1.0	-46.72	310.88	3.73	-42.99
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(C)C=N1	REAL300019712396	0	39	-1.0	-44.37	329.63	3.95	-40.42
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(C)C=N1	REAL300019712396	1	39	-1.0	-44.31	329.69	3.97	-40.34
CC1=CC(F)=CC(C(C)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712397	0	43	-1.0	-48.30	365.35	6.39	-41.91
CC1=CC(F)=CC(C(C)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712397	1	43	-1.0	-48.31	365.41	6.40	-41.91
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712398	0	40	-1.0	-46.94	359.19	4.10	-42.84
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712398	1	40	-1.0	-46.93	359.14	4.08	-42.85
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O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC2=CC=NN21	REAL300019712400	0	41	-1.0	-45.21	340.85	4.11	-41.10
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC2=CC=NN21	REAL300019712400	1	41	-1.0	-45.22	340.91	4.12	-41.10
O=C(COC1=CC=CC=C1C(F)F)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712401	0	41	-1.0	-52.96	360.26	5.90	-47.06
O=C(COC1=CC=CC=C1C(F)F)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712401	1	41	-1.0	-52.94	360.32	5.92	-47.02
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C2CC2(F)F)=C1	REAL300019712402	0	41	-1.0	-50.33	356.87	6.62	-43.71
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C2CC2(F)F)=C1	REAL300019712402	1	41	-1.0	-50.32	356.93	6.64	-43.68
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C2CCCC2=C1	REAL300019712403	0	40	-1.0	-45.30	337.30	4.53	-40.77
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C2CCCC2=C1	REAL300019712403	1	40	-1.0	-45.25	337.35	4.54	-40.71
CC1=NC(C2CC2)=NC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712404	0	42	-1.0	-44.24	355.58	4.77	-39.47
CC1=NC(C2CC2)=NC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712404	1	42	-1.0	-44.26	355.63	4.79	-39.47
CCOC1=C2C=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)SC2=NC=C1	REAL300019712405	0	43	-1.0	-47.57	382.14	4.23	-43.34
CCOC1=C2C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)SC2=NC=C1	REAL300019712405	1	43	-1.0	-47.60	382.09	4.22	-43.38
CC1(C)CCOC1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712406	0	44	-1.0	-48.69	351.57	3.98	-44.71
CC1(C)CCOC1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712406	1	44	-1.0	-48.67	351.63	3.99	-44.68
CC1=NN=C(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N1C	REAL300019712407	0	42	-1.0	-53.08	358.46	4.75	-48.33
CC1=NN=C(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N1C	REAL300019712407	1	42	-1.0	-53.11	358.51	4.77	-48.34
CCC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C)=N1	REAL300019712408	0	41	-1.0	-43.95	346.33	3.69	-40.26
CCC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C)=N1	REAL300019712408	1	41	-1.0	-43.94	346.39	3.70	-40.24
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712409	0	49	-1.0	-44.46	398.70	3.80	-40.66
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712409	1	49	-1.0	-44.47	398.75	3.81	-40.66
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300019712410	0	45	-1.0	-47.48	352.33	3.78	-43.70
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300019712410	1	45	-1.0	-47.47	352.38	3.79	-43.68
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2CC1C1C2C1(F)F	REAL300019712411	0	42	-1.0	-45.64	341.59	5.59	-40.05
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2CC1C1C2C1(F)F	REAL300019712411	1	42	-1.0	-45.61	341.65	5.60	-40.01
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C2CC1(C1=CN=CS1)CC2	REAL300019712412	0	44	-1.0	-43.95	370.30	5.29	-38.66
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C2CC1(C1=CN=CS1)CC2	REAL300019712412	1	44	-1.0	-43.96	370.24	5.27	-38.69
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CC1)COCCO2	REAL300019712413	0	49	-1.0	-48.20	381.12	3.71	-44.49
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CC1)COCCO2	REAL300019712413	1	49	-1.0	-48.20	381.18	3.73	-44.47
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NC2=NC=CN=C12	REAL300019712414	0	37	-1.0	-56.24	326.47	2.36	-53.88
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NC2=NC=CN=C12	REAL300019712414	1	37	-1.0	-56.26	326.41	2.35	-53.91
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712415	0	37	-1.0	-47.67	351.63	5.56	-42.11
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712415	1	37	-1.0	-47.65	351.69	5.57	-42.08
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300019712416	0	45	-1.0	-42.99	375.13	7.12	-35.87
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300019712416	1	45	-1.0	-42.98	375.19	7.13	-35.85
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300019712417	0	40	-1.0	-54.98	358.40	-2.44	-57.42
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300019712417	1	40	-1.0	-55.02	358.35	-2.45	-57.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300019712418	0	41	-1.0	-47.91	339.70	5.42	-42.49
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300019712418	1	41	-1.0	-47.89	339.76	5.43	-42.46
CC1=NN(C2=CC=CC=C2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019712419	0	44	-1.0	-52.33	374.99	6.46	-45.87
CC1=NN(C2=CC=CC=C2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019712419	1	44	-1.0	-52.32	375.04	6.47	-45.85
CC1=NC=NC(C)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712420	0	38	-1.0	-44.34	330.26	3.33	-41.01
CC1=NC=NC(C)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712420	1	38	-1.0	-44.33	330.32	3.35	-40.98
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C)=C(Br)O1	REAL300019712421	0	37	-1.0	-44.09	346.18	4.52	-39.57
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C)=C(Br)O1	REAL300019712421	1	37	-1.0	-44.06	346.24	4.53	-39.53
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712422	0	48	-1.0	-50.63	387.19	5.37	-45.26
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712422	1	48	-1.0	-50.62	387.14	5.35	-45.27
CC12CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(C1)C1(CCC1)O2	REAL300019712423	0	46	-1.0	-45.75	368.69	4.50	-41.25
CC12CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(C1)C1(CCC1)O2	REAL300019712423	1	46	-1.0	-45.74	368.75	4.51	-41.23
CC12CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(C1)C1(CCOCC1)O2	REAL300019712424	0	50	-1.0	-47.65	389.93	3.15	-44.50
CC12CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(C1)C1(CCOCC1)O2	REAL300019712424	1	50	-1.0	-47.66	389.98	3.17	-44.49
CC1=COC(C(C)C)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712425	0	43	-1.0	-45.66	367.28	5.20	-40.46
CC1=COC(C(C)C)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712425	1	43	-1.0	-45.63	367.34	5.22	-40.41
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NC(C)=N1	REAL300019712426	0	38	-1.0	-42.92	332.88	3.09	-39.83
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NC(C)=N1	REAL300019712426	1	38	-1.0	-42.88	332.82	3.08	-39.80
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=C(CCCNC2=O)O1	REAL300019712427	0	42	-1.0	-50.78	358.52	1.79	-48.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C(CCCNC2=O)O1	REAL300019712427	1	42	-1.0	-50.80	358.58	1.81	-48.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC2=CC=C(F)C=C21	REAL300019712428	0	37	-1.0	-48.37	332.15	3.19	-45.18
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC2=CC=C(F)C=C21	REAL300019712428	1	37	-1.0	-48.36	332.10	3.18	-45.18
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CS(=O)(=O)C1	REAL300019712429	0	37	-1.0	-50.31	320.64	0.04	-50.27
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CS(=O)(=O)C1	REAL300019712429	1	37	-1.0	-50.31	320.70	0.05	-50.26
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2CCOCC2)CCOCC1	REAL300019712430	0	52	-1.0	-47.65	385.93	3.63	-44.02
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2CCOCC2)CCOCC1	REAL300019712430	1	52	-1.0	-47.62	385.98	3.64	-43.98
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1C1CC1(F)F	REAL300019712431	0	41	-1.0	-48.15	353.26	6.66	-41.49
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1C1CC1(F)F	REAL300019712431	1	41	-1.0	-48.14	353.32	6.68	-41.46
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=NN1C1CC1	REAL300019712432	0	37	-1.0	-45.81	322.48	2.48	-43.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=NN1C1CC1	REAL300019712432	1	37	-1.0	-45.79	322.43	2.46	-43.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(O)C1=CC(F)=C(F)C=C1F	REAL300019712433	0	38	-1.0	-44.44	342.78	3.36	-41.08
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(O)C1=CC(F)=C(F)C=C1F	REAL300019712433	1	38	-1.0	-44.46	342.84	3.37	-41.09
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300019712434	0	38	-1.0	-48.48	348.70	3.25	-45.23
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300019712434	1	38	-1.0	-48.49	348.75	3.26	-45.23
CCC1=NN(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300019712435	0	40	-1.0	-46.00	353.54	4.18	-41.82
CCC1=NN(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300019712435	1	40	-1.0	-46.04	353.60	4.19	-41.85
O=C(CSC1=CC=CC(F)=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712436	0	38	-1.0	-49.59	346.59	5.65	-43.94
O=C(CSC1=CC=CC(F)=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712436	1	38	-1.0	-49.59	346.64	5.66	-43.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC(=O)N1CCC(F)(F)F	REAL300019712437	0	44	-1.0	-55.76	386.66	4.70	-51.06
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC(=O)N1CCC(F)(F)F	REAL300019712437	1	44	-1.0	-55.75	386.72	4.72	-51.03
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(=O)NC2=NC=CC=C21	REAL300019712438	0	41	-1.0	-56.06	352.50	2.54	-53.52
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(=O)NC2=NC=CC=C21	REAL300019712438	1	41	-1.0	-56.01	352.44	2.52	-53.49
CC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712439	0	45	-1.0	-44.51	382.61	4.98	-39.53
CC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712439	1	45	-1.0	-44.51	382.66	4.99	-39.52
CCC1=NC(C)=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C)=N1	REAL300019712440	0	44	-1.0	-43.55	373.35	3.92	-39.63
CCC1=NC(C)=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C)=N1	REAL300019712440	1	44	-1.0	-43.50	373.41	3.94	-39.56
CC(C)C1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C(F)(F)F)=CO1	REAL300019712441	0	43	-1.0	-45.98	385.96	5.61	-40.37
CC(C)C1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C(F)(F)F)=CO1	REAL300019712441	1	43	-1.0	-45.96	386.02	5.62	-40.34
CCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C(F)(F)F)=CO1	REAL300019712442	0	40	-1.0	-45.86	365.99	5.01	-40.85
CCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C(F)(F)F)=CO1	REAL300019712442	1	40	-1.0	-45.89	366.05	5.02	-40.87
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2CCCCO2)CC1	REAL300019712443	0	45	-1.0	-44.41	360.45	4.77	-39.64
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2CCCCO2)CC1	REAL300019712443	1	45	-1.0	-44.41	360.51	4.78	-39.63
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=NS1	REAL300019712444	0	33	-1.0	-43.46	300.00	2.89	-40.57
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=NS1	REAL300019712444	1	33	-1.0	-43.48	300.06	2.90	-40.58
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C2CC2)=NNC1=O	REAL300019712445	0	40	-1.0	-44.54	346.77	2.50	-42.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C2CC2)=NNC1=O	REAL300019712445	1	40	-1.0	-44.52	346.83	2.51	-42.01
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300019712446	0	48	-1.0	-43.81	397.38	6.46	-37.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300019712446	1	48	-1.0	-43.75	397.43	6.47	-37.28
CC1=CC(C)=C2NC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC2=C1	REAL300019712447	0	44	-1.0	-45.10	373.12	5.71	-39.39
CC1=CC(C)=C2NC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC2=C1	REAL300019712447	1	44	-1.0	-45.12	373.06	5.69	-39.43
CC1=NC2=C(NC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2)S1	REAL300019712448	0	37	-1.0	-47.48	337.51	2.32	-45.16
CC1=NC2=C(NC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2)S1	REAL300019712448	1	37	-1.0	-47.48	337.45	2.30	-45.18
CC1(C)OCC2=C1NN=C2C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712449	0	42	-1.0	-45.60	357.48	1.47	-44.13
CC1(C)OCC2=C1NN=C2C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712449	1	42	-1.0	-45.61	357.43	1.45	-44.16
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC(C2CCOCC2)=C1	REAL300019712450	0	45	-1.0	-44.87	374.49	2.36	-42.51
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC(C2CCOCC2)=C1	REAL300019712450	1	45	-1.0	-44.87	374.43	2.35	-42.52
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O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(C2CCCC2)N=C1	REAL300019712452	0	44	-1.0	-46.07	364.67	4.86	-41.21
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(C2CCCC2)N=C1	REAL300019712452	1	44	-1.0	-46.05	364.62	4.84	-41.21
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCC1	REAL300019712453	0	52	-1.0	-44.80	409.35	6.72	-38.08
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCCC1	REAL300019712453	1	52	-1.0	-44.81	409.41	6.74	-38.07
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CC1=CC([N+](=O)[O-])=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300019712456	0	39	-1.0	-50.66	347.69	6.69	-43.97
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300019712456	1	39	-1.0	-50.64	347.75	6.70	-43.94
CCCC1=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CS1	REAL300019712457	0	39	-1.0	-43.59	349.27	3.69	-39.90
CCCC1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CS1	REAL300019712457	1	39	-1.0	-43.58	349.22	3.67	-39.91
CC1=NN(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300019712458	0	37	-1.0	-45.15	341.09	3.16	-41.99
CC1=NN(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300019712458	1	37	-1.0	-45.14	341.15	3.17	-41.97
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N1	REAL300019712459	0	44	-1.0	-44.88	365.96	4.58	-40.30
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N1	REAL300019712459	1	44	-1.0	-44.89	365.91	4.57	-40.32
O=C(CS(=O)(=O)C1=CC=CC=C1F)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712460	0	40	-1.0	-58.02	364.82	2.17	-55.85
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COC1=CC=C2C=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)N=C2N1	REAL300019712462	0	41	-1.0	-54.07	356.47	2.59	-51.48
COC1=CC=C2C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)N=C2N1	REAL300019712462	1	41	-1.0	-54.09	356.41	2.58	-51.51
COC(=O)C(OC)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712463	0	37	-1.0	-50.23	328.04	2.74	-47.49
COC(=O)C(OC)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712463	1	37	-1.0	-50.21	328.10	2.75	-47.46
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712464	0	40	-1.0	-51.92	339.77	4.96	-46.96
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712464	1	40	-1.0	-51.91	339.82	4.97	-46.94
COC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(C)S1	REAL300019712465	0	40	-1.0	-45.36	362.01	4.92	-40.44
COC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(C)S1	REAL300019712465	1	40	-1.0	-45.39	362.07	4.94	-40.45
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C(C2CCOCC2)NC1=O	REAL300019712466	0	47	-1.0	-48.61	389.38	2.36	-46.25
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C(C2CCOCC2)NC1=O	REAL300019712466	1	47	-1.0	-48.65	389.43	2.37	-46.28
CC(C)(C)C1=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CN1	REAL300019712467	0	43	-1.0	-45.81	362.19	3.58	-42.23
CC(C)(C)C1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CN1	REAL300019712467	1	43	-1.0	-45.81	362.13	3.57	-42.24
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300019712468	0	37	-1.0	-52.47	343.90	4.78	-47.69
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300019712468	1	37	-1.0	-52.46	343.84	4.76	-47.70
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CCC2=CC=CC=C21	REAL300019712469	0	41	-1.0	-45.07	339.62	6.39	-38.68
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CCC2=CC=CC=C21	REAL300019712469	1	41	-1.0	-45.05	339.67	6.41	-38.64
CCN1C=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC1=O	REAL300019712470	0	40	-1.0	-56.41	344.03	4.18	-52.23
CCN1C=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC1=O	REAL300019712470	1	40	-1.0	-56.39	344.09	4.20	-52.19
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2CCOC2=C1	REAL300019712471	0	39	-1.0	-48.91	332.58	4.29	-44.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2CCOC2=C1	REAL300019712471	1	39	-1.0	-48.89	332.64	4.31	-44.58
COC1=CC=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1F	REAL300019712472	0	37	-1.0	-50.30	328.18	2.13	-48.17
COC1=CC=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1F	REAL300019712472	1	37	-1.0	-50.31	328.12	2.12	-48.19
N#CCN1C=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019712473	0	35	-1.0	-55.43	323.16	2.84	-52.59
N#CCN1C=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019712473	1	35	-1.0	-55.41	323.10	2.83	-52.58
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COCC1=CN=C(OC)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712476	0	44	-1.0	-49.98	376.94	2.02	-47.96
COCC1=CN=C(OC)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712476	1	44	-1.0	-49.94	376.88	2.01	-47.93
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712477	0	47	-1.0	-46.30	396.96	7.79	-38.51
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712477	1	47	-1.0	-46.31	397.02	7.80	-38.51
COC1=CC=C(C(C)=CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019712478	0	45	-1.0	-45.01	380.94	5.74	-39.27
COC1=CC=C(C(C)=CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019712478	1	45	-1.0	-45.01	380.99	5.76	-39.25
O=C(CN1N=NC(C2CC2)=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712479	0	39	-1.0	-54.38	345.39	2.67	-51.71
O=C(CN1N=NC(C2CC2)=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712479	1	39	-1.0	-54.35	345.45	2.68	-51.67
CC1(C)OC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2O1	REAL300019712480	0	43	-1.0	-48.06	364.88	4.73	-43.33
CC1(C)OC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2O1	REAL300019712480	1	43	-1.0	-48.06	364.94	4.74	-43.32
COC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712481	0	43	-1.0	-50.19	361.18	4.43	-45.76
COC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712481	1	43	-1.0	-50.22	361.24	4.44	-45.78
CC1=CC(=O)N(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019712482	0	42	-1.0	-52.73	363.50	4.52	-48.21
CC1=CC(=O)N(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019712482	1	42	-1.0	-52.76	363.56	4.53	-48.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2OC=CC2=CC=C1Cl	REAL300019712483	0	37	-1.0	-48.31	344.24	5.08	-43.23
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2OC=CC2=CC=C1Cl	REAL300019712483	1	37	-1.0	-48.31	344.30	5.10	-43.21
CC1=CSC2=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)N=CN=C12	REAL300019712484	0	38	-1.0	-44.31	345.41	4.48	-39.83
CC1=CSC2=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)N=CN=C12	REAL300019712484	1	38	-1.0	-44.32	345.35	4.46	-39.86
CCN1C=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019712485	0	36	-1.0	-50.56	318.70	3.76	-46.80
CCN1C=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019712485	1	36	-1.0	-50.54	318.64	3.74	-46.80
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300019712486	0	48	-1.0	-49.06	399.31	4.70	-44.36
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300019712486	1	48	-1.0	-49.06	399.37	4.71	-44.35
N#CCN1N=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712487	0	35	-1.0	-47.67	314.69	2.94	-44.73
N#CCN1N=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712487	1	35	-1.0	-47.65	314.63	2.93	-44.72
CC(C)CC(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712488	0	39	-1.0	-45.38	328.10	4.22	-41.16
CC(C)CC(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712488	1	39	-1.0	-45.36	328.16	4.24	-41.12
C=C(Cl)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712489	0	34	-1.0	-44.67	312.98	3.99	-40.68
C=C(Cl)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712489	1	34	-1.0	-44.72	313.03	4.00	-40.72
CC(CC1CCC1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712490	0	43	-1.0	-44.87	347.51	5.48	-39.39
CC(CC1CCC1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712490	1	43	-1.0	-44.83	347.57	5.50	-39.33
O=C(CCCC1CCC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712491	0	43	-1.0	-45.53	352.61	5.77	-39.76
O=C(CCCC1CCC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712491	1	43	-1.0	-45.53	352.67	5.78	-39.75
O=C(CC1=NN=C2COCCN12)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712492	0	41	-1.0	-55.62	350.43	2.58	-53.04
O=C(CC1=NN=C2COCCN12)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712492	1	41	-1.0	-55.61	350.48	2.60	-53.01
CC1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1N	REAL300019712493	0	39	-1.0	-43.64	326.17	3.41	-40.23
CC1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1N	REAL300019712493	1	39	-1.0	-43.67	326.23	3.42	-40.25
NC1=CC=CC(F)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712494	0	36	-1.0	-46.65	320.41	2.23	-44.42
NC1=CC=CC(F)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712494	1	36	-1.0	-46.64	320.47	2.24	-44.40
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712495	0	36	-1.0	-41.55	338.72	3.72	-37.83
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712495	1	36	-1.0	-41.53	338.78	3.73	-37.80
NC1=CC=C(Br)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712496	0	36	-1.0	-42.74	328.60	3.27	-39.47
NC1=CC=C(Br)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712496	1	36	-1.0	-42.72	328.65	3.28	-39.44
NC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712497	0	36	-1.0	-42.21	323.86	3.17	-39.04
NC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712497	1	36	-1.0	-42.20	323.92	3.18	-39.02
NC1=C(Cl)C=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712498	0	36	-1.0	-44.56	322.07	3.21	-41.35
NC1=C(Cl)C=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712498	1	36	-1.0	-44.56	322.13	3.23	-41.33
NC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CC=C1C(F)(F)F	REAL300019712499	0	39	-1.0	-44.82	341.69	3.79	-41.03
NC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CC=C1C(F)(F)F	REAL300019712499	1	39	-1.0	-44.86	341.75	3.81	-41.05
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712500	0	36	-1.0	-42.38	320.04	2.77	-39.61
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712500	1	36	-1.0	-42.36	320.10	2.79	-39.57
NC1=C(F)C=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712501	0	36	-1.0	-45.37	313.07	2.73	-42.64
NC1=C(F)C=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712501	1	36	-1.0	-45.39	313.12	2.75	-42.64
NC1=C(Br)C=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712502	0	36	-1.0	-43.97	326.52	3.34	-40.63
NC1=C(Br)C=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712502	1	36	-1.0	-43.97	326.58	3.36	-40.61
NC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CC(Cl)=C1Cl	REAL300019712503	0	36	-1.0	-43.88	336.03	3.69	-40.19
NC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CC(Cl)=C1Cl	REAL300019712503	1	36	-1.0	-43.91	336.09	3.71	-40.20
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712504	0	39	-1.0	-44.52	339.07	2.80	-41.72
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712504	1	39	-1.0	-44.52	339.13	2.81	-41.71
CC1=CC(F)=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1N	REAL300019712505	0	39	-1.0	-43.05	331.15	3.48	-39.57
CC1=CC(F)=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1N	REAL300019712505	1	39	-1.0	-43.04	331.21	3.49	-39.55
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712506	0	39	-1.0	-43.08	346.39	3.67	-39.41
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712506	1	39	-1.0	-43.08	346.45	3.68	-39.40
CC1=CC(Cl)=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1N	REAL300019712507	0	39	-1.0	-42.06	341.22	3.94	-38.12
CC1=CC(Cl)=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1N	REAL300019712507	1	39	-1.0	-42.07	341.28	3.96	-38.11
CC1=CC(Cl)=C(N)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712508	0	39	-1.0	-43.30	343.33	3.88	-39.42
CC1=CC(Cl)=C(N)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712508	1	39	-1.0	-43.29	343.38	3.90	-39.39
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712509	0	36	-1.0	-41.88	329.91	3.22	-38.66
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712509	1	36	-1.0	-41.88	329.96	3.24	-38.64
CC1=C(F)C=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1N	REAL300019712510	0	39	-1.0	-43.08	329.64	3.46	-39.62
CC1=C(F)C=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1N	REAL300019712510	1	39	-1.0	-43.07	329.69	3.47	-39.60
CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(N)=C1Cl	REAL300019712511	0	39	-1.0	-44.53	339.57	3.80	-40.73
CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(N)=C1Cl	REAL300019712511	1	39	-1.0	-44.56	339.63	3.82	-40.74
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(N)C=C1F	REAL300019712512	0	39	-1.0	-43.43	333.79	3.36	-40.07
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(N)C=C1F	REAL300019712512	1	39	-1.0	-43.42	333.84	3.37	-40.05
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712513	0	36	-1.0	-42.10	328.24	3.30	-38.80
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712513	1	36	-1.0	-42.16	328.30	3.31	-38.85
COC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(N)=C1F	REAL300019712514	0	40	-1.0	-46.90	341.43	2.08	-44.82
COC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(N)=C1F	REAL300019712514	1	40	-1.0	-46.90	341.48	2.09	-44.81
COC1=C(F)C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(N)=C1F	REAL300019712515	0	40	-1.0	-43.51	352.28	2.24	-41.27
COC1=C(F)C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(N)=C1F	REAL300019712515	1	40	-1.0	-43.48	352.34	2.26	-41.22
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712516	0	36	-1.0	-41.55	339.01	3.63	-37.92
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712516	1	36	-1.0	-41.58	339.06	3.64	-37.94
NC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CC(Cl)=C1F	REAL300019712517	0	36	-1.0	-44.63	328.12	3.25	-41.38
NC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CC(Cl)=C1F	REAL300019712517	1	36	-1.0	-44.62	328.18	3.26	-41.36
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712518	0	39	-1.0	-44.05	338.64	2.75	-41.30
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712518	1	39	-1.0	-44.09	338.70	2.77	-41.32
O=C(CC1=CC=C(O)C=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712519	0	37	-1.0	-53.11	326.15	0.63	-52.48
O=C(CC1=CC=C(O)C=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712519	1	37	-1.0	-53.14	326.20	0.65	-52.49
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300019712520	0	39	-1.0	-48.11	356.53	5.11	-43.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300019712520	1	39	-1.0	-48.11	356.47	5.10	-43.01
C=CN1N=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712521	0	35	-1.0	-45.46	308.26	3.42	-42.04
C=CN1N=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712521	1	35	-1.0	-45.47	308.32	3.43	-42.04
C[NH+](C)CCSCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712522	0	43	0.0	-74.65	364.12	4.79	-69.86
C[NH+](C)CCSCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712522	1	43	0.0	-74.63	364.18	4.81	-69.82
CC(C)(C)OC1CC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1(C)C	REAL300019712523	0	56	-1.0	-48.18	434.58	6.46	-41.72
CC(C)(C)OC1CC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1(C)C	REAL300019712523	1	56	-1.0	-48.20	434.64	6.47	-41.73
O=C(NC1=NC=CN1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712524	0	35	-1.0	-43.24	313.16	2.10	-41.14
O=C(NC1=NC=CN1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712524	1	35	-1.0	-43.27	313.22	2.11	-41.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC(C1)CN2C1CC1	REAL300019712525	0	44	-1.0	-42.55	352.96	3.56	-38.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC(C1)CN2C1CC1	REAL300019712525	1	44	-1.0	-42.55	353.02	3.57	-38.98
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019712525	1	45	0.0	-67.32	347.98	5.51	-61.81
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019712525	1	45	0.0	-67.60	360.97	5.45	-62.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)=CC1=CNC=N1	REAL300019712526	0	35	-1.0	-48.80	317.32	3.68	-45.12
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)=CC1=CNC=N1	REAL300019712526	1	35	-1.0	-48.81	317.37	3.70	-45.11
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(CC2=NNN=C2)CCOCC1	REAL300019712527	0	47	-1.0	-45.42	370.22	1.92	-43.50
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(CC2=NNN=C2)CCOCC1	REAL300019712527	1	47	-1.0	-45.36	370.28	1.94	-43.42
CC1=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1C	REAL300019712528	0	36	-1.0	-50.86	317.63	2.71	-48.15
CC1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1C	REAL300019712528	1	36	-1.0	-50.87	317.58	2.70	-48.17
CCC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N1	REAL300019712529	0	38	-1.0	-46.30	327.61	3.55	-42.75
CCC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N1	REAL300019712529	1	38	-1.0	-46.32	327.55	3.53	-42.79
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2=CC=CC=C2NC1=O	REAL300019712530	0	42	-1.0	-44.54	356.88	3.39	-41.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2=CC=CC=C2NC1=O	REAL300019712530	1	42	-1.0	-44.54	356.94	3.40	-41.14
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)NC2=CC=C(F)C=C21	REAL300019712531	0	41	-1.0	-45.13	354.88	5.14	-39.99
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)NC2=CC=C(F)C=C21	REAL300019712531	1	41	-1.0	-45.10	354.83	5.12	-39.98
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712532	0	41	-1.0	-47.05	357.47	6.35	-40.70
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712532	1	41	-1.0	-47.06	357.53	6.36	-40.70
O=C(C=CCOC1=CC=CC=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712533	0	42	-1.0	-48.71	364.76	5.32	-43.39
O=C(C=CCOC1=CC=CC=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712533	1	42	-1.0	-48.68	364.82	5.34	-43.34
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(CN2CCOCC2)C=CO1	REAL300019712534	0	47	-1.0	-45.59	389.26	1.84	-43.75
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(CN2CCOCC2)C=CO1	REAL300019712534	1	47	-1.0	-45.58	389.32	1.86	-43.72
O=C(CC1CC(=O)NC(=O)C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712535	0	40	-1.0	-55.80	340.42	0.67	-55.13
O=C(CC1CC(=O)NC(=O)C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712535	1	40	-1.0	-55.78	340.48	0.68	-55.10
CN1NC(=O)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712536	0	35	-1.0	-46.77	307.96	0.24	-46.53
CN1NC(=O)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712536	1	35	-1.0	-46.76	308.02	0.25	-46.51
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NC2=NNC=C21	REAL300019712537	0	36	-1.0	-50.72	317.03	2.42	-48.30
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NC2=NNC=C21	REAL300019712537	1	36	-1.0	-50.72	317.09	2.43	-48.29
O=C(CC1=CC=CC(F)=C1O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712538	0	38	-1.0	-52.07	337.43	2.40	-49.67
O=C(CC1=CC=CC(F)=C1O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712538	1	38	-1.0	-52.06	337.49	2.42	-49.64
CN1C(=S)NN=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712539	0	34	-1.0	-44.24	314.14	3.15	-41.09
CN1C(=S)NN=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712539	1	34	-1.0	-44.24	314.08	3.14	-41.10
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712539	1	33	-2.0	-80.33	311.01	2.97	-77.36
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712539	1	33	-2.0	-80.27	310.95	2.96	-77.31
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2CC(O)CC(C2)C1	REAL300019712540	0	48	-1.0	-46.80	363.58	3.19	-43.61
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2CC(O)CC(C2)C1	REAL300019712540	1	48	-1.0	-46.80	363.64	3.20	-43.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC(C2=CC=NC=C2)=C1	REAL300019712541	0	40	-1.0	-46.27	353.19	2.65	-43.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC(C2=CC=NC=C2)=C1	REAL300019712541	1	40	-1.0	-46.27	353.25	2.66	-43.61
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CNN=C2S1	REAL300019712542	0	34	-1.0	-47.96	315.46	2.26	-45.70
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CNN=C2S1	REAL300019712542	1	34	-1.0	-47.98	315.52	2.28	-45.70
CC1=NSC(Br)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712543	0	33	-1.0	-42.05	326.92	3.16	-38.89
CC1=NSC(Br)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712543	1	33	-1.0	-42.05	326.98	3.17	-38.88
CC1=CN2CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CCC2=N1	REAL300019712544	0	44	-1.0	-48.73	363.15	5.15	-43.58
CC1=CN2CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CCC2=N1	REAL300019712544	1	44	-1.0	-48.72	363.21	5.17	-43.55
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN2N=C(Cl)N=C2C=C1	REAL300019712545	0	36	-1.0	-49.70	335.74	4.66	-45.04
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN2N=C(Cl)N=C2C=C1	REAL300019712545	1	36	-1.0	-49.74	335.68	4.65	-45.09
NC1=C(Br)C=NC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712546	0	35	-1.0	-43.26	321.30	1.53	-41.73
NC1=C(Br)C=NC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712546	1	35	-1.0	-43.25	321.35	1.54	-41.71
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712546	1	36	0.0	-71.21	324.17	2.03	-69.18
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019712547	0	44	0.0	-81.28	357.14	2.54	-78.74
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CC1=CC(F)=CC=C1CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019712592	1	47	-1.0	-49.23	389.87	7.60	-41.63
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL300019712593	0	47	-1.0	-49.91	378.09	7.54	-42.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL300019712593	1	47	-1.0	-49.98	378.11	7.56	-42.42
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712594	0	45	-1.0	-50.78	384.99	4.53	-46.25
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712594	1	45	-1.0	-50.75	384.93	4.52	-46.23
CC12CC3(C)CC(O)(C1)CC(C(=O)NC1=CC=C(OCC4=N[N-]N=N4)C=C1)(C2)C3	REAL300019712595	0	55	-1.0	-46.10	412.96	3.98	-42.12
CC12CC3(C)CC(O)(C1)CC(C(=O)NC1=CC=C(OCC4=NN=N[N-]4)C=C1)(C2)C3	REAL300019712595	1	55	-1.0	-46.10	413.02	4.00	-42.10
CC1=NC=CC=C1C=CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712596	0	40	-1.0	-47.87	343.99	4.37	-43.50
CC1=NC=CC=C1C=CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712596	1	40	-1.0	-47.87	344.05	4.38	-43.49
CC1=CN=CC=C1C=CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712597	0	40	-1.0	-47.11	344.13	4.40	-42.71
CC1=CN=CC=C1C=CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712597	1	40	-1.0	-47.07	344.19	4.41	-42.66
CNC(=O)C1=CN=CC(C=CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712598	0	44	-1.0	-53.49	383.05	2.12	-51.37
CNC(=O)C1=CN=CC(C=CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712598	1	44	-1.0	-53.49	383.11	2.14	-51.35
O=C(C=CC1=CC=NC(Cl)=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712599	0	37	-1.0	-48.66	343.19	4.32	-44.34
O=C(C=CC1=CC=NC(Cl)=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712599	1	37	-1.0	-48.67	343.24	4.33	-44.34
COC1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1N	REAL300019712600	0	40	-1.0	-45.86	335.93	2.03	-43.83
COC1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1N	REAL300019712600	1	40	-1.0	-45.88	335.99	2.05	-43.83
COC1=CC=C(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1N	REAL300019712601	0	43	-1.0	-45.49	361.94	2.12	-43.37
COC1=CC=C(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1N	REAL300019712601	1	43	-1.0	-45.50	361.99	2.13	-43.37
O=C(C=CC1=CC=NC2=CC=CC=C12)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712602	0	43	-1.0	-49.65	370.30	5.93	-43.72
O=C(C=CC1=CC=NC2=CC=CC=C12)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712602	1	43	-1.0	-49.67	370.35	5.94	-43.73
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712603	0	41	-1.0	-47.05	357.47	6.35	-40.70
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712603	1	41	-1.0	-47.06	357.53	6.36	-40.70
CC(=CC1=CC=CS1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712604	0	38	-1.0	-45.04	333.40	5.35	-39.69
CC(=CC1=CC=CS1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712604	1	38	-1.0	-45.05	333.46	5.36	-39.69
NS(=O)(=O)C1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019712605	0	45	-1.0	-60.49	369.33	-0.51	-61.00
NS(=O)(=O)C1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019712605	1	45	-1.0	-60.46	369.39	-0.49	-60.95
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300019712606	0	40	-1.0	-45.76	360.00	5.59	-40.17
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300019712606	1	40	-1.0	-45.73	359.94	5.58	-40.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(O)C1=CC=C(F)C(Cl)=C1	REAL300019712607	0	38	-1.0	-49.56	352.17	3.64	-45.92
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(O)C1=CC=C(F)C(Cl)=C1	REAL300019712607	1	38	-1.0	-49.56	352.23	3.66	-45.90
CC1=CC=CC(C(F)(F)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712608	0	40	-1.0	-42.69	352.59	5.87	-36.82
CC1=CC=CC(C(F)(F)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712608	1	40	-1.0	-42.73	352.64	5.88	-36.85
COC1=CSC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1OC	REAL300019712609	0	39	-1.0	-47.71	349.76	3.32	-44.39
COC1=CSC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1OC	REAL300019712609	1	39	-1.0	-47.71	349.81	3.34	-44.37
CSC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1	REAL300019712610	0	41	-1.0	-44.35	377.84	6.62	-37.73
CSC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1	REAL300019712610	1	41	-1.0	-44.34	377.90	6.63	-37.71
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2CCC(C2)C1	REAL300019712611	0	44	-1.0	-45.66	321.83	5.50	-40.16
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2CCC(C2)C1	REAL300019712611	1	44	-1.0	-45.64	321.88	5.51	-40.13
CC1=CC2=NC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019712612	0	42	-1.0	-46.46	359.41	5.47	-40.99
CC1=CC2=NC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019712612	1	42	-1.0	-46.51	359.47	5.48	-41.03
COC1=C(F)C=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1F	REAL300019712613	0	38	-1.0	-51.53	340.76	4.00	-47.53
COC1=C(F)C=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1F	REAL300019712613	1	38	-1.0	-51.56	340.82	4.01	-47.55
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300019712614	0	40	-1.0	-56.59	360.57	4.49	-52.10
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300019712614	1	40	-1.0	-56.56	360.63	4.50	-52.06
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CC(C2=COC=C2)=C1	REAL300019712615	0	40	-1.0	-46.99	351.29	4.24	-42.75
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CC(C2=COC=C2)=C1	REAL300019712615	1	40	-1.0	-46.99	351.23	4.23	-42.76
CC1(C)C(=O)CC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712616	0	39	-1.0	-46.27	326.54	3.58	-42.69
CC1(C)C(=O)CC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712616	1	39	-1.0	-46.24	326.60	3.59	-42.65
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712617	0	40	-1.0	-44.98	334.00	4.89	-40.09
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712617	1	40	-1.0	-44.96	334.06	4.90	-40.06
CC1(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCS1(=O)=O	REAL300019712618	0	43	-1.0	-51.99	359.48	1.23	-50.76
CC1(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCS1(=O)=O	REAL300019712618	1	43	-1.0	-51.95	359.54	1.25	-50.70
CCCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)OC=N1	REAL300019712619	0	39	-1.0	-45.02	336.71	1.28	-43.74
CCCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)OC=N1	REAL300019712619	1	39	-1.0	-45.00	336.77	1.29	-43.71
COC1=CC(F)=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1N	REAL300019712620	0	40	-1.0	-43.58	342.12	2.11	-41.47
COC1=CC(F)=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1N	REAL300019712620	1	40	-1.0	-43.60	342.17	2.13	-41.47
CC1=CC=C(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019712621	0	39	-1.0	-43.94	331.76	4.02	-39.92
CC1=CC=C(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019712621	1	39	-1.0	-43.93	331.70	4.01	-39.92
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300019712622	0	40	-1.0	-52.44	338.98	2.76	-49.68
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300019712622	1	40	-1.0	-52.40	338.92	2.74	-49.66
CCCC1=CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019712623	0	46	-1.0	-46.82	385.77	7.34	-39.48
CCCC1=CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019712623	1	46	-1.0	-46.82	385.83	7.36	-39.46
CC(C)N1C=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC1=O	REAL300019712624	0	43	-1.0	-55.53	360.42	4.58	-50.95
CC(C)N1C=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC1=O	REAL300019712624	1	43	-1.0	-55.54	360.48	4.60	-50.94
O=C(CCCCN1C(=O)CCC1=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712625	0	46	-1.0	-53.79	391.39	4.15	-49.64
O=C(CCCCN1C(=O)CCC1=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712625	1	46	-1.0	-53.76	391.45	4.16	-49.60
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C)C1=CC=C(F)C=C1	REAL300019712626	0	46	-1.0	-47.51	378.94	6.83	-40.68
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C)C1=CC=C(F)C=C1	REAL300019712626	1	46	-1.0	-47.55	378.99	6.84	-40.71
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CNC(Cl)=N1	REAL300019712627	0	31	-1.0	-44.73	297.11	1.72	-43.01
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CNC(Cl)=N1	REAL300019712627	1	31	-1.0	-44.71	297.05	1.71	-43.00
C=CC1(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCOCC1	REAL300019712628	0	45	-1.0	-44.29	349.76	3.54	-40.75
C=CC1(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCOCC1	REAL300019712628	1	45	-1.0	-44.30	349.82	3.55	-40.75
CN1C=CC(N2C=NC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2)=N1	REAL300019712629	0	41	-1.0	-52.08	364.19	5.68	-46.40
CN1C=CC(N2C=NC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2)=N1	REAL300019712629	1	41	-1.0	-52.05	364.13	5.67	-46.38
CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712630	0	41	-1.0	-45.54	350.52	6.25	-39.29
CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712630	1	41	-1.0	-45.54	350.58	6.27	-39.27
CCCCC1=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CS1	REAL300019712631	0	42	-1.0	-43.60	370.77	4.47	-39.13
CCCCC1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CS1	REAL300019712631	1	42	-1.0	-43.63	370.71	4.46	-39.17
O=C(CF)C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019712632	0	39	-1.0	-54.56	345.53	5.07	-49.49
O=C(CF)C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019712632	1	39	-1.0	-54.56	345.59	5.09	-49.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2C=CNC2=CN=C1	REAL300019712633	0	37	-1.0	-50.07	320.56	2.67	-47.40
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2C=CNC2=CN=C1	REAL300019712633	1	37	-1.0	-50.06	320.62	2.69	-47.37
CN(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C#N)C=C1F	REAL300019712634	0	43	-1.0	-50.47	378.43	4.63	-45.84
CN(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C#N)C=C1F	REAL300019712634	1	43	-1.0	-50.43	378.49	4.65	-45.78
CC1(C)CCC(C)(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019712635	0	49	-1.0	-45.28	368.92	5.97	-39.31
CC1(C)CCC(C)(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019712635	1	49	-1.0	-45.26	368.98	5.99	-39.27
CCC1=NC2=CC=CC=C2C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712636	0	45	-1.0	-47.08	372.91	6.19	-40.89
CCC1=NC2=CC=CC=C2C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712636	1	45	-1.0	-47.05	372.97	6.20	-40.85
COC1=CC=C(F)C=C1CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019712637	0	48	-1.0	-48.17	406.86	6.44	-41.73
COC1=CC=C(F)C=C1CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019712637	1	48	-1.0	-48.17	406.91	6.46	-41.71
CC12CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(C1)CO2	REAL300019712638	0	39	-1.0	-44.03	327.87	2.52	-41.51
CC12CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(C1)CO2	REAL300019712638	1	39	-1.0	-44.04	327.93	2.54	-41.50
N#CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1C(F)(F)F	REAL300019712639	0	35	-1.0	-46.36	320.81	4.20	-42.16
N#CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1C(F)(F)F	REAL300019712639	1	35	-1.0	-46.35	320.87	4.22	-42.13
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC(CO1)CCC2	REAL300019712640	0	42	-1.0	-42.42	333.27	3.29	-39.13
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC(CO1)CCC2	REAL300019712640	1	42	-1.0	-42.40	333.32	3.31	-39.09
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC2=C1OCO2	REAL300019712641	0	37	-1.0	-47.75	342.95	3.40	-44.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC2=C1OCO2	REAL300019712641	1	37	-1.0	-47.74	343.01	3.42	-44.32
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC(F)(F)CC1CCCC2	REAL300019712642	0	47	-1.0	-46.16	365.45	6.39	-39.77
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CN1N=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=CC(F)=CC=C21	REAL300019712670	0	40	-1.0	-49.15	354.79	4.50	-44.65
CN1N=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=CC(F)=CC=C21	REAL300019712670	1	40	-1.0	-49.13	354.73	4.49	-44.64
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CN1C=C(C2=NOC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2)C=N1	REAL300019712673	0	40	-1.0	-45.59	360.20	3.31	-42.28
CN1C=C(C2=NOC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2)C=N1	REAL300019712673	1	40	-1.0	-45.58	360.14	3.30	-42.28
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C#CCC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCC1	REAL300019712691	0	42	-1.0	-44.04	342.31	6.06	-37.98
C#CCC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCCC1	REAL300019712691	1	42	-1.0	-44.06	342.37	6.08	-37.98
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COC1=CC(OC)=C(Cl)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712694	0	42	-1.0	-48.26	367.78	3.58	-44.68
COC1=CC(OC)=C(Cl)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712694	1	42	-1.0	-48.24	367.84	3.60	-44.64
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CC1=C(C#N)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(C)S1	REAL300019712700	1	38	-1.0	-51.43	353.00	5.08	-46.35
CC1=CC=CN=C1C=CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712701	0	40	-1.0	-46.07	346.29	4.65	-41.42
CC1=CC=CN=C1C=CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712701	1	40	-1.0	-46.12	346.35	4.67	-41.45
CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C([N+](=O)[O-])=C1	REAL300019712702	0	39	-1.0	-56.49	342.73	6.66	-49.83
CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C([N+](=O)[O-])=C1	REAL300019712702	1	39	-1.0	-56.53	342.79	6.68	-49.85
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CCC1=CSC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712703	1	37	-1.0	-44.44	325.56	4.80	-39.64
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CC(C)C1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019712705	1	43	-1.0	-45.06	349.96	5.39	-39.67
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COC1=CC=C2NN=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C2=C1	REAL300019712707	0	41	-1.0	-49.90	355.42	2.40	-47.50
COC1=CC=C2NN=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C2=C1	REAL300019712707	1	41	-1.0	-49.92	355.37	2.38	-47.54
COC1=CC=C2NC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C(C)C2=C1	REAL300019712708	0	45	-1.0	-46.59	378.01	4.35	-42.24
COC1=CC=C2NC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C(C)C2=C1	REAL300019712708	1	45	-1.0	-46.58	377.95	4.33	-42.25
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CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NNC1=O	REAL300019712711	0	36	-1.0	-43.78	318.70	0.63	-43.15
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NNC1=O	REAL300019712711	1	36	-1.0	-43.80	318.65	0.62	-43.18
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CC1CCC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1C	REAL300019712713	0	49	-1.0	-45.16	379.26	6.49	-38.67
CC1CCC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1C	REAL300019712713	1	49	-1.0	-45.12	379.31	6.51	-38.61
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CC1=CC=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019712718	0	35	-1.0	-49.54	311.31	2.56	-46.98
CC1=CC=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019712718	1	35	-1.0	-49.54	311.26	2.54	-47.00
CCN(CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300019712719	0	53	-1.0	-48.48	425.85	5.38	-43.10
CCN(CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300019712719	1	53	-1.0	-48.51	425.91	5.40	-43.11
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CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712721	0	40	-1.0	-41.37	351.39	5.69	-35.68
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712721	1	40	-1.0	-41.36	351.45	5.71	-35.65
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CN1C=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1=O	REAL300019712725	0	36	-1.0	-51.45	315.25	3.29	-48.16
CN1C=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1=O	REAL300019712725	1	36	-1.0	-51.45	315.19	3.27	-48.18
CC1=NN=NN1C(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019712726	0	45	-1.0	-54.28	386.71	4.91	-49.37
CC1=NN=NN1C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019712726	1	45	-1.0	-54.31	386.77	4.93	-49.38
CC(C)(CC#N)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712727	0	37	-1.0	-45.08	317.15	3.53	-41.55
CC(C)(CC#N)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712727	1	37	-1.0	-45.09	317.21	3.54	-41.55
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CC1=CC=C(C=CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019712729	0	44	-1.0	-47.99	374.10	7.10	-40.89
CC1=CC=C(C=CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019712729	1	44	-1.0	-47.96	374.15	7.12	-40.84
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2CCS(=O)(=O)C2=CN1	REAL300019712730	0	39	-1.0	-54.01	347.99	0.15	-53.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2CCS(=O)(=O)C2=CN1	REAL300019712730	1	39	-1.0	-53.98	347.94	0.14	-53.84
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019712730	1	38	-2.0	-84.02	345.72	-0.35	-84.37
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019712730	1	38	-2.0	-84.07	345.66	-0.36	-84.43
O=C(C=CC1=CC=CC=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712731	0	38	-1.0	-45.97	331.27	5.63	-40.34
O=C(C=CC1=CC=CC=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712731	1	38	-1.0	-45.97	331.33	5.65	-40.32
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCN2C=NN=C12	REAL300019712732	0	40	-1.0	-50.32	335.01	5.31	-45.01
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCN2C=NN=C12	REAL300019712732	1	40	-1.0	-50.32	335.07	5.33	-44.99
COC(=O)C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1C	REAL300019712733	0	40	-1.0	-43.21	338.09	4.50	-38.71
COC(=O)C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1C	REAL300019712733	1	40	-1.0	-43.22	338.15	4.51	-38.71
CCOC(=O)C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC2(CCC2)C1	REAL300019712734	0	50	-1.0	-44.02	406.97	6.89	-37.13
CCOC(=O)C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC2(CCC2)C1	REAL300019712734	1	50	-1.0	-43.99	407.02	6.90	-37.09
CC1(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=N1	REAL300019712735	0	36	-1.0	-43.25	315.31	-1.24	-44.49
CC1(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=N1	REAL300019712735	1	36	-1.0	-43.25	315.36	-1.22	-44.47
CC(C)C1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1F	REAL300019712736	0	43	-1.0	-50.91	360.11	6.39	-44.52
CC(C)C1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1F	REAL300019712736	1	43	-1.0	-50.89	360.16	6.40	-44.49
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712737	0	43	-1.0	-48.57	361.74	6.42	-42.15
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712737	1	43	-1.0	-48.55	361.80	6.44	-42.11
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CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C([N+](=O)[O-])=C1	REAL300019712739	1	48	-1.0	-52.66	399.57	8.02	-44.64
CCC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCC2=CC=CC=C21	REAL300019712740	0	50	-1.0	-44.08	384.82	7.74	-36.34
CCC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCCC2=CC=CC=C21	REAL300019712740	1	50	-1.0	-44.06	384.87	7.75	-36.31
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CC(C)(C)OC(=O)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712745	0	42	-1.0	-52.38	348.50	4.95	-47.43
CC(C)(C)OC(=O)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712745	1	42	-1.0	-52.38	348.56	4.97	-47.41
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CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712748	1	50	-1.0	-49.66	415.97	2.71	-46.95
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CCN1C(C)=NN(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1=O	REAL300019712759	1	43	-1.0	-57.37	372.21	4.36	-53.01
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NS(=O)(=O)C1=CSC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712761	1	36	-1.0	-53.00	344.45	-1.63	-54.63
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019712762	0	42	-1.0	-47.11	358.25	2.03	-45.08
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300019712762	1	42	-1.0	-47.13	358.19	2.01	-45.12
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CC(C)(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(F)C(F)=C1	REAL300019712765	1	43	-1.0	-49.04	364.96	6.15	-42.89
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712766	0	45	-1.0	-47.12	384.10	5.09	-42.03
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712766	1	45	-1.0	-47.09	384.04	5.08	-42.01
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C2=CC=CC=C2F)=NO1	REAL300019712767	0	43	-1.0	-47.21	378.95	6.13	-41.08
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C2=CC=CC=C2F)=NO1	REAL300019712767	1	43	-1.0	-47.19	378.89	6.12	-41.07
COCC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC=CCC1	REAL300019712768	0	45	-1.0	-47.40	363.11	4.05	-43.35
COCC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC=CCC1	REAL300019712768	1	45	-1.0	-47.39	363.17	4.06	-43.33
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CC(F)(F)C(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019712771	0	43	-1.0	-47.51	363.37	6.50	-41.01
CC(F)(F)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019712771	1	43	-1.0	-47.46	363.42	6.52	-40.94
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CC1=CC=C(C2CCCCC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019712773	1	53	-1.0	-46.48	408.94	8.40	-38.08
CC12CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(C1)OC2	REAL300019712774	0	39	-1.0	-42.90	326.90	2.64	-40.26
CC12CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(C1)OC2	REAL300019712774	1	39	-1.0	-42.88	326.95	2.66	-40.22
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CCC(C)C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)N1	REAL300019712777	0	46	-1.0	-48.87	378.45	4.31	-44.56
CCC(C)C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)N1	REAL300019712777	1	46	-1.0	-48.85	378.51	4.32	-44.53
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CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712779	0	44	-1.0	-48.55	383.78	6.74	-41.81
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CC1(F)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019712780	0	37	-1.0	-43.32	315.88	4.10	-39.22
CC1(F)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019712780	1	37	-1.0	-43.33	315.94	4.11	-39.22
CC1=CC=C(OC(C)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C)=C1	REAL300019712781	0	47	-1.0	-49.23	389.83	6.88	-42.35
CC1=CC=C(OC(C)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C)=C1	REAL300019712781	1	47	-1.0	-49.24	389.89	6.89	-42.35
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COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)=C2	REAL300019712785	0	41	-1.0	-48.46	368.20	3.25	-45.21
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)=C2	REAL300019712785	1	41	-1.0	-48.49	368.14	3.24	-45.25
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)=C2	REAL300019712785	1	40	-2.0	-89.51	366.20	2.77	-86.74
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)=C2	REAL300019712785	1	40	-2.0	-89.53	366.14	2.75	-86.78
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=C(C2=NNC=N2)S1	REAL300019712786	0	39	-1.0	-48.77	357.80	3.16	-45.61
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=C(C2=NNC=N2)S1	REAL300019712786	1	39	-1.0	-48.76	357.74	3.15	-45.61
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300019712787	0	45	-1.0	-49.20	387.20	6.72	-42.48
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300019712787	1	45	-1.0	-49.17	387.14	6.70	-42.47
COC(=O)C1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1C	REAL300019712788	0	43	-1.0	-50.10	361.80	5.65	-44.45
COC(=O)C1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1C	REAL300019712788	1	43	-1.0	-50.12	361.86	5.66	-44.46
C=CCCC(CC(C)C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712789	0	49	-1.0	-43.71	388.58	7.04	-36.67
C=CCCC(CC(C)C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712789	1	49	-1.0	-43.70	388.64	7.05	-36.65
C=CCC(CC(C)C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712790	0	46	-1.0	-44.38	367.46	6.21	-38.17
C=CCC(CC(C)C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712790	1	46	-1.0	-44.45	367.52	6.22	-38.23
CC(C)(C)C1CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NO1	REAL300019712791	0	44	-1.0	-41.43	361.62	3.53	-37.90
CC(C)(C)C1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NO1	REAL300019712791	1	44	-1.0	-41.43	361.68	3.54	-37.89
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2=CSC=C2)C=C1	REAL300019712792	0	41	-1.0	-46.53	361.72	6.87	-39.66
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2=CSC=C2)C=C1	REAL300019712792	1	41	-1.0	-46.53	361.78	6.89	-39.64
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2CCOC(=O)C2=C1	REAL300019712793	0	41	-1.0	-57.75	352.51	5.39	-52.36
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2CCOC(=O)C2=C1	REAL300019712793	1	41	-1.0	-57.71	352.57	5.40	-52.31
CC1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300019712794	0	38	-1.0	-48.50	318.92	3.37	-45.13
CC1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019712794	1	38	-1.0	-48.53	318.98	3.39	-45.14
CC(C)COC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C)C	REAL300019712795	0	49	-1.0	-46.55	396.17	5.95	-40.60
CC(C)COC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C)C	REAL300019712795	1	49	-1.0	-46.55	396.23	5.97	-40.58
CC1=C2C=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)N=CC2=NN1	REAL300019712796	0	39	-1.0	-47.90	342.42	2.06	-45.84
CC1=C2C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)N=CC2=NN1	REAL300019712796	1	39	-1.0	-47.89	342.36	2.05	-45.84
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(CC(F)(F)F)C=N1	REAL300019712797	0	37	-1.0	-49.66	343.31	4.97	-44.69
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(CC(F)(F)F)C=N1	REAL300019712797	1	37	-1.0	-49.66	343.25	4.96	-44.70
O=C(CCCCC1CSSC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712798	0	45	-1.0	-49.36	389.22	7.61	-41.75
O=C(CCCCC1CSSC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712798	1	45	-1.0	-49.30	389.28	7.62	-41.68
CNC(=O)N1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019712799	0	46	-1.0	-55.15	372.09	2.41	-52.74
CNC(=O)N1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019712799	1	46	-1.0	-55.17	372.15	2.42	-52.75
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300019712800	0	39	-1.0	-44.64	348.02	5.37	-39.27
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300019712800	1	39	-1.0	-44.63	347.96	5.35	-39.28
CC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712801	0	42	-1.0	-53.68	357.25	5.93	-47.75
CC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712801	1	42	-1.0	-53.67	357.19	5.91	-47.76
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C2N=CC=CN12	REAL300019712802	0	36	-1.0	-50.92	317.30	5.33	-45.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C2N=CC=CN12	REAL300019712802	1	36	-1.0	-50.91	317.24	5.31	-45.60
O=C(CC1=CC(Br)=CS1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712803	0	34	-1.0	-46.73	333.35	4.85	-41.88
O=C(CC1=CC(Br)=CS1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712803	1	34	-1.0	-46.71	333.41	4.86	-41.85
CC1OC2(C)CC1(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)C2	REAL300019712804	0	42	-1.0	-43.74	341.52	3.43	-40.31
CC1OC2(C)CC1(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)C2	REAL300019712804	1	42	-1.0	-43.73	341.57	3.44	-40.29
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12COC(C=CC1)C2	REAL300019712805	0	40	-1.0	-44.25	328.70	2.96	-41.29
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12COC(C=CC1)C2	REAL300019712805	1	40	-1.0	-44.25	328.75	2.98	-41.27
CN1C=C(C2=CC=CC=C2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019712806	0	44	-1.0	-51.05	372.56	5.74	-45.31
CN1C=C(C2=CC=CC=C2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019712806	1	44	-1.0	-51.07	372.50	5.72	-45.35
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(C2CCC2)ON=C1	REAL300019712807	0	40	-1.0	-43.45	341.44	4.79	-38.66
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(C2CCC2)ON=C1	REAL300019712807	1	40	-1.0	-43.41	341.49	4.80	-38.61
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=CC=CN=C2C=C1	REAL300019712808	0	42	-1.0	-45.96	359.61	5.09	-40.87
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=CC=CN=C2C=C1	REAL300019712808	1	42	-1.0	-46.00	359.55	5.08	-40.92
COC1(C2=CC=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2)COC1	REAL300019712809	0	46	-1.0	-50.28	377.54	3.72	-46.56
COC1(C2=CC=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2)COC1	REAL300019712809	1	46	-1.0	-50.31	377.59	3.73	-46.58
COCCN1C=CC2=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=CC=C21	REAL300019712810	0	48	-1.0	-49.20	403.81	6.14	-43.06
COCCN1C=CC2=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=CC=C21	REAL300019712810	1	48	-1.0	-49.16	403.87	6.15	-43.01
CC(C)N1C=CC2=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=CC=C21	REAL300019712811	0	47	-1.0	-49.41	388.22	7.55	-41.86
CC(C)N1C=CC2=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=CC=C21	REAL300019712811	1	47	-1.0	-49.39	388.28	7.57	-41.82
C[C@@H](C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1	REAL300019712812	0	40	-1.0	-47.28	343.92	5.72	-41.56
C[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1	REAL300019712812	1	40	-1.0	-47.31	343.98	5.74	-41.57
CCC(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)CC(F)(F)F	REAL300019712813	0	42	-1.0	-48.68	346.06	4.94	-43.74
CCC(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)CC(F)(F)F	REAL300019712813	1	42	-1.0	-48.71	346.12	4.95	-43.76
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NN1CC1CC1	REAL300019712814	0	41	-1.0	-44.52	347.71	4.61	-39.91
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NN1CC1CC1	REAL300019712814	1	41	-1.0	-44.53	347.66	4.60	-39.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC(F)(F)CO1	REAL300019712815	0	38	-1.0	-51.62	328.01	3.59	-48.03
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC(F)(F)CO1	REAL300019712815	1	38	-1.0	-51.61	328.07	3.60	-48.01
C[C@@H]1C[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C[C@H](C)O1	REAL300019712816	0	44	-1.0	-45.32	355.89	3.80	-41.52
C[C@@H]1C[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C[C@H](C)O1	REAL300019712816	1	44	-1.0	-45.30	355.95	3.82	-41.48
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12COC(C1)CCC2	REAL300019712817	0	42	-1.0	-44.66	332.20	3.08	-41.58
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12COC(C1)CCC2	REAL300019712817	1	42	-1.0	-44.69	332.26	3.10	-41.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CCC(CO1)C2	REAL300019712818	0	39	-1.0	-43.82	321.72	2.65	-41.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CCC(CO1)C2	REAL300019712818	1	39	-1.0	-43.83	321.78	2.67	-41.16
CC12CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(CO1)C2	REAL300019712819	0	42	-1.0	-44.76	343.33	3.15	-41.61
CC12CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(CO1)C2	REAL300019712819	1	42	-1.0	-44.75	343.39	3.16	-41.59
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300019712820	0	40	-1.0	-44.46	368.34	5.73	-38.73
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300019712820	1	40	-1.0	-44.44	368.28	5.71	-38.73
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)NC2=CC(F)=CC(F)=C21	REAL300019712821	0	41	-1.0	-44.96	358.94	5.14	-39.82
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)NC2=CC(F)=CC(F)=C21	REAL300019712821	1	41	-1.0	-44.97	358.88	5.13	-39.84
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C(F)=C1F	REAL300019712822	0	34	-1.0	-51.08	323.76	5.08	-46.00
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C(F)=C1F	REAL300019712822	1	34	-1.0	-51.05	323.82	5.10	-45.95
COC(=O)CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019712823	0	43	-1.0	-50.57	373.70	5.89	-44.68
COC(=O)CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019712823	1	43	-1.0	-50.60	373.76	5.90	-44.70
NC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C(F)C(F)=C1F	REAL300019712824	0	36	-1.0	-42.77	325.44	2.86	-39.91
NC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C(F)C(F)=C1F	REAL300019712824	1	36	-1.0	-42.74	325.50	2.88	-39.86
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712825	0	51	-1.0	-46.38	408.81	4.65	-41.73
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712825	1	51	-1.0	-46.38	408.86	4.66	-41.72
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Br)C=CN=C1F	REAL300019712826	0	33	-1.0	-47.47	321.92	3.01	-44.46
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Br)C=CN=C1F	REAL300019712826	1	33	-1.0	-47.46	321.87	3.00	-44.46
NC1=C(F)C=C(F)C(F)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712827	0	36	-1.0	-44.38	331.85	2.37	-42.01
NC1=C(F)C=C(F)C(F)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712827	1	36	-1.0	-44.36	331.91	2.39	-41.97
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300019712828	0	44	-1.0	-52.64	377.99	2.98	-49.66
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300019712828	1	44	-1.0	-52.61	378.05	3.00	-49.61
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2(CC2F)C1	REAL300019712829	0	38	-1.0	-44.57	327.53	4.89	-39.68
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2(CC2F)C1	REAL300019712829	1	38	-1.0	-44.61	327.58	4.90	-39.71
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN2CC(F)CC2=C1	REAL300019712830	0	38	-1.0	-50.22	332.74	3.17	-47.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN2CC(F)CC2=C1	REAL300019712830	1	38	-1.0	-50.21	332.69	3.16	-47.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CCN(CCC1)S2(=O)=O	REAL300019712831	0	43	-1.0	-55.29	354.65	0.66	-54.63
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CCN(CCC1)S2(=O)=O	REAL300019712831	1	43	-1.0	-55.29	354.71	0.68	-54.61
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300019712832	0	43	-1.0	-53.71	375.80	4.17	-49.54
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300019712832	1	43	-1.0	-53.70	375.74	4.16	-49.54
CC1=CC=CC(C2(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CC2(F)F)=C1	REAL300019712833	0	44	-1.0	-47.38	381.52	7.22	-40.16
CC1=CC=CC(C2(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CC2(F)F)=C1	REAL300019712833	1	44	-1.0	-47.40	381.58	7.23	-40.17
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CC1(C)CCCC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019712867	1	47	-1.0	-47.74	370.28	5.14	-42.60
COC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CN=C1	REAL300019712868	0	40	-1.0	-51.86	348.70	3.41	-48.45
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CCN1C(=O)CCC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712869	0	41	-1.0	-54.08	347.03	3.56	-50.52
CCN1C(=O)CCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712869	1	41	-1.0	-54.10	347.08	3.58	-50.52
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CCSC1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019712875	0	47	-1.0	-48.58	379.05	6.45	-42.13
CCSC1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019712875	1	47	-1.0	-48.60	379.11	6.47	-42.13
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CC(C)N1C=CC2=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC=C21	REAL300019712926	0	47	-1.0	-48.83	390.37	7.57	-41.26
CC(C)N1C=CC2=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC=C21	REAL300019712926	1	47	-1.0	-48.85	390.42	7.58	-41.27
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CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)C2	REAL300019712931	1	46	-1.0	-46.83	370.62	1.11	-45.72
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CC(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(F)C(F)=C1	REAL300019712954	0	43	-1.0	-46.29	369.19	6.46	-39.83
CC(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(F)C(F)=C1	REAL300019712954	1	43	-1.0	-46.32	369.25	6.48	-39.84
CCCN1C=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712955	0	41	-1.0	-45.24	344.92	5.52	-39.72
CCCN1C=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712955	1	41	-1.0	-45.23	344.98	5.53	-39.70
CC(C)(C)N1C=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019712956	0	46	-1.0	-50.64	384.47	4.93	-45.71
CC(C)(C)N1C=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019712956	1	46	-1.0	-50.64	384.42	4.92	-45.72
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O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019712958	1	41	-1.0	-51.51	360.17	4.58	-46.93
CC1=CC=C(C2(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CC2)C(F)=C1	REAL300019712959	0	44	-1.0	-46.23	376.13	7.04	-39.19
CC1=CC=C(C2(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CC2)C(F)=C1	REAL300019712959	1	44	-1.0	-46.21	376.19	7.05	-39.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019712960	0	34	-2.0	-89.39	324.88	4.45	-84.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019712960	1	34	-2.0	-89.38	324.93	4.47	-84.91
CCCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=NN1CC	REAL300019712961	0	45	-1.0	-44.57	379.53	3.64	-40.93
CCCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=NN1CC	REAL300019712961	1	45	-1.0	-44.62	379.48	3.62	-41.00
CCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)SC(C2=NNC=N2)=N1	REAL300019712962	0	42	-1.0	-50.04	379.14	3.79	-46.25
CCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)SC(C2=NNC=N2)=N1	REAL300019712962	1	42	-1.0	-50.08	379.20	3.80	-46.28
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O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019712963	1	44	-1.0	-52.59	374.73	5.49	-47.10
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712964	0	46	-1.0	-50.06	394.95	2.85	-47.21
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712964	1	46	-1.0	-50.06	395.01	2.86	-47.20
CC1=NNC2=C1CC(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)CC2	REAL300019712965	0	44	-1.0	-48.00	361.05	3.74	-44.26
CC1=NNC2=C1CC(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)CC2	REAL300019712965	1	44	-1.0	-49.84	361.55	3.76	-46.08
CC1=C2CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CCC2=NN1	REAL300019712965	1	44	-1.0	-48.00	361.05	3.74	-44.26
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712966	0	45	-1.0	-51.18	381.49	4.30	-46.88
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712966	1	45	-1.0	-51.18	381.54	4.31	-46.87
CSC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019712967	0	40	-1.0	-47.19	360.79	5.97	-41.22
CSC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019712967	1	40	-1.0	-47.14	360.85	5.98	-41.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CCCOC1	REAL300019712968	0	36	-1.0	-45.46	304.01	2.28	-43.18
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CCCOC1	REAL300019712968	1	36	-1.0	-45.48	304.07	2.29	-43.19
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712969	0	44	-1.0	-52.59	372.83	6.10	-46.49
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712969	1	44	-1.0	-52.60	372.88	6.12	-46.48
C=C1CCC1(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(=O)OC	REAL300019712970	0	41	-1.0	-44.24	351.32	4.64	-39.60
C=C1CCC1(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(=O)OC	REAL300019712970	1	41	-1.0	-44.22	351.38	4.65	-39.57
NS(=O)(=O)C1=COC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712971	0	36	-1.0	-52.01	337.42	-2.66	-54.67
NS(=O)(=O)C1=COC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712971	1	36	-1.0	-52.02	337.48	-2.65	-54.67
N#CC1=CC2=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=NN2C=C1	REAL300019712972	0	38	-1.0	-51.19	345.26	4.60	-46.59
N#CC1=CC2=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=NN2C=C1	REAL300019712972	1	38	-1.0	-51.14	345.20	4.59	-46.55
CCC1=NON=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712973	0	35	-1.0	-40.05	311.95	2.43	-37.62
CCC1=NON=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712973	1	35	-1.0	-40.03	311.89	2.42	-37.61
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712974	0	48	-1.0	-56.00	401.10	3.23	-52.77
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712974	1	48	-1.0	-56.01	401.16	3.24	-52.77
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019712975	0	38	-1.0	-44.76	352.69	3.78	-40.98
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019712975	1	38	-1.0	-44.76	352.75	3.79	-40.97
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN2N=NC=C2C=C1	REAL300019712976	0	36	-1.0	-52.44	318.62	2.94	-49.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN2N=NC=C2C=C1	REAL300019712976	1	36	-1.0	-52.47	318.56	2.93	-49.54
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)[C@H](C)O1	REAL300019712977	0	45	-1.0	-45.73	374.89	2.41	-43.32
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)[C@H](C)O1	REAL300019712977	1	45	-1.0	-45.76	374.84	2.39	-43.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(CCO)N=N1	REAL300019712978	0	37	-1.0	-45.41	331.16	-1.73	-47.14
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(CCO)N=N1	REAL300019712978	1	37	-1.0	-45.44	331.11	-1.75	-47.19
O=C(CCNC1=CN=CN=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712979	0	40	-1.0	-50.38	346.62	2.10	-48.28
O=C(CCNC1=CN=CN=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712979	1	40	-1.0	-50.36	346.57	2.09	-48.27
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712980	0	43	-1.0	-46.38	378.39	5.15	-41.23
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712980	1	43	-1.0	-46.42	378.33	5.14	-41.28
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712981	0	41	-1.0	-46.87	373.15	5.11	-41.76
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712981	1	41	-1.0	-46.83	373.09	5.10	-41.73
O=C(CC1CC2(CCC2)C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712982	0	44	-1.0	-45.79	358.42	6.04	-39.75
O=C(CC1CC2(CCC2)C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712982	1	44	-1.0	-45.80	358.48	6.05	-39.75
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC(F)(F)CC1	REAL300019712983	0	43	-1.0	-47.91	341.98	5.22	-42.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC(F)(F)CC1	REAL300019712983	1	43	-1.0	-47.93	342.04	5.24	-42.69
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712984	0	41	-1.0	-48.67	349.94	3.56	-45.11
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712984	1	41	-1.0	-48.65	349.99	3.57	-45.08
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NOC(CF)=C1	REAL300019712985	0	33	-1.0	-44.19	304.03	2.69	-41.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NOC(CF)=C1	REAL300019712985	1	33	-1.0	-44.20	303.97	2.68	-41.52
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019712986	0	42	-1.0	-58.78	369.36	5.82	-52.96
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019712986	1	42	-1.0	-58.78	369.42	5.84	-52.94
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019712987	0	41	-1.0	-47.94	358.23	6.68	-41.26
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019712987	1	41	-1.0	-47.92	358.29	6.69	-41.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2=CC=NN2C1	REAL300019712988	0	41	-1.0	-47.13	342.80	3.69	-43.44
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2=CC=NN2C1	REAL300019712988	1	41	-1.0	-47.08	342.86	3.70	-43.38
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2C=NSC2=CC=C1	REAL300019712989	0	36	-1.0	-49.57	324.45	4.51	-45.06
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2C=NSC2=CC=C1	REAL300019712989	1	36	-1.0	-49.58	324.40	4.49	-45.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=NON=C21	REAL300019712990	0	35	-1.0	-56.87	313.07	3.31	-53.56
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=NON=C21	REAL300019712990	1	35	-1.0	-56.87	313.01	3.30	-53.57
CN1C=C(OCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019712991	0	38	-1.0	-51.69	335.15	2.71	-48.98
CN1C=C(OCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019712991	1	38	-1.0	-51.67	335.09	2.70	-48.97
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC(C2CC2)=NO1	REAL300019712992	0	42	-1.0	-43.58	357.38	4.00	-39.58
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC(C2CC2)=NO1	REAL300019712992	1	42	-1.0	-43.56	357.44	4.02	-39.54
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300019712993	0	39	-1.0	-42.30	354.44	4.70	-37.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300019712993	1	39	-1.0	-42.27	354.38	4.68	-37.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019712994	0	41	-1.0	-49.77	362.91	6.43	-43.34
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019712994	1	41	-1.0	-49.73	362.96	6.44	-43.29
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019712995	0	48	-1.0	-47.29	394.18	7.07	-40.22
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019712995	1	48	-1.0	-47.28	394.24	7.08	-40.20
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(CC2=NNN=C2)CCCC1	REAL300019712996	0	46	-1.0	-52.30	373.08	3.33	-48.97
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(CC2=NNN=C2)CCCC1	REAL300019712996	1	46	-1.0	-52.29	373.14	3.35	-48.94
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712997	0	55	-1.0	-46.54	430.88	6.61	-39.93
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712997	1	55	-1.0	-46.55	430.83	6.60	-39.95
C#CC1=CC=C(C2CC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019712998	0	43	-1.0	-49.66	368.79	7.58	-42.08
C#CC1=CC=C(C2CC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019712998	1	43	-1.0	-49.65	368.84	7.59	-42.06
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CCC(C1)OC2	REAL300019712999	0	39	-1.0	-46.28	321.27	2.54	-43.74
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CCC(C1)OC2	REAL300019712999	1	39	-1.0	-46.23	321.33	2.56	-43.67
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=CC=CC=C2C=N1	REAL300019713000	0	42	-1.0	-47.96	360.83	5.22	-42.74
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=CC=CC=C2C=N1	REAL300019713000	1	42	-1.0	-47.92	360.89	5.23	-42.69
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2CCC2)CC1(F)F	REAL300019713001	0	41	-1.0	-43.93	340.93	5.68	-38.25
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2CCC2)CC1(F)F	REAL300019713001	1	41	-1.0	-43.97	340.98	5.69	-38.28
CN1N=CC2=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C(C3CC3)N=C21	REAL300019713002	0	46	-1.0	-48.27	388.42	5.55	-42.72
CN1N=CC2=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C(C3CC3)N=C21	REAL300019713002	1	46	-1.0	-48.26	388.48	5.56	-42.70
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019713003	0	44	-1.0	-44.44	369.30	5.83	-38.61
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019713003	1	44	-1.0	-44.43	369.36	5.84	-38.59
CCC1=NOC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713004	0	36	-1.0	-41.98	318.88	3.21	-38.77
CCC1=NOC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713004	1	36	-1.0	-41.97	318.93	3.22	-38.75
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713005	0	46	-1.0	-44.04	360.07	5.72	-38.32
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713005	1	46	-1.0	-44.02	360.13	5.73	-38.29
O=C(C=CC1=CC=NC=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713006	0	37	-1.0	-47.30	326.59	3.88	-43.42
O=C(C=CC1=CC=NC=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713006	1	37	-1.0	-47.31	326.65	3.89	-43.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2C(=O)NCCN2N=C1	REAL300019713007	0	39	-1.0	-56.89	336.13	1.09	-55.80
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2C(=O)NCCN2N=C1	REAL300019713007	1	39	-1.0	-56.90	336.07	1.08	-55.82
CC=CC1=CC=C(OCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(OC)=C1	REAL300019713008	0	49	-1.0	-53.71	412.59	6.65	-47.06
CC=CC1=CC=C(OCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(OC)=C1	REAL300019713008	1	49	-1.0	-53.72	412.64	6.67	-47.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(=O)CC12CCC2	REAL300019713009	0	43	-1.0	-46.16	351.95	4.74	-41.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(=O)CC12CCC2	REAL300019713009	1	43	-1.0	-46.13	352.01	4.76	-41.37
CC1=CNC2=NC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C12	REAL300019713010	0	40	-1.0	-47.98	345.33	4.38	-43.60
CC1=CNC2=NC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C12	REAL300019713010	1	40	-1.0	-47.98	345.39	4.39	-43.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019713011	0	41	-1.0	-49.74	358.40	3.14	-46.60
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019713011	1	41	-1.0	-49.76	358.46	3.16	-46.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019713012	0	51	-1.0	-50.39	402.38	6.92	-43.47
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019713012	1	51	-1.0	-50.40	402.44	6.94	-43.46
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2)O1	REAL300019713013	0	45	-1.0	-50.99	391.70	1.83	-49.16
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2)O1	REAL300019713013	1	45	-1.0	-50.97	391.75	1.84	-49.13
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2=CC=CN=C2C1	REAL300019713014	0	40	-1.0	-47.03	338.78	4.37	-42.66
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2=CC=CN=C2C1	REAL300019713014	1	40	-1.0	-47.07	338.83	4.39	-42.68
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(C2CC2)=NO1	REAL300019713015	0	39	-1.0	-53.57	338.06	4.30	-49.27
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(C2CC2)=NO1	REAL300019713015	1	39	-1.0	-53.60	338.11	4.31	-49.29
CC1=CC2=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CN=C2C(F)=C1	REAL300019713016	0	42	-1.0	-47.24	365.99	5.56	-41.68
CC1=CC2=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CN=C2C(F)=C1	REAL300019713016	1	42	-1.0	-47.24	365.93	5.54	-41.70
CN1C=C(C2=NC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CO2)C=N1	REAL300019713017	0	40	-1.0	-47.17	360.68	0.62	-46.55
CN1C=C(C2=NC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CO2)C=N1	REAL300019713017	1	40	-1.0	-47.19	360.62	0.61	-46.58
COC1=C2C=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)NC2=C(C)C=C1	REAL300019713018	0	45	-1.0	-47.69	381.26	4.35	-43.34
COC1=C2C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)NC2=C(C)C=C1	REAL300019713018	1	45	-1.0	-47.71	381.20	4.34	-43.37
CCCCOC1=CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019713019	0	50	-1.0	-48.44	415.74	6.93	-41.51
CCCCOC1=CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019713019	1	50	-1.0	-48.47	415.79	6.94	-41.53
COC1=NC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019713020	0	43	-1.0	-47.11	370.32	3.33	-43.78
COC1=NC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019713020	1	43	-1.0	-47.10	370.26	3.32	-43.78
CC1=CN2C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CN=C2S1	REAL300019713021	0	37	-1.0	-47.81	334.04	4.87	-42.94
CC1=CN2C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CN=C2S1	REAL300019713021	1	37	-1.0	-47.82	333.99	4.85	-42.97
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300019713022	0	31	-1.0	-42.26	321.92	4.55	-37.71
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300019713022	1	31	-1.0	-42.29	321.98	4.56	-37.73
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713023	0	45	-1.0	-44.05	370.83	5.06	-38.99
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713023	1	45	-1.0	-44.07	370.77	5.05	-39.02
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1COC(=O)O1	REAL300019713024	0	32	-1.0	-57.52	290.25	2.45	-55.07
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1COC(=O)O1	REAL300019713024	1	32	-1.0	-57.50	290.31	2.47	-55.03
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCOC1	REAL300019713025	0	41	-1.0	-46.47	332.54	2.71	-43.76
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCOC1	REAL300019713025	1	41	-1.0	-46.46	332.60	2.73	-43.73
COC1CC2(C1)CCC(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)CC2	REAL300019713026	0	51	-1.0	-45.90	399.88	5.28	-40.62
COC1CC2(C1)CCC(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)CC2	REAL300019713026	1	51	-1.0	-45.91	399.94	5.29	-40.62
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713027	0	52	-1.0	-46.61	418.30	8.53	-38.08
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713027	1	52	-1.0	-46.61	418.35	8.54	-38.07
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713028	0	55	-1.0	-44.63	405.79	7.16	-37.47
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713028	1	55	-1.0	-44.63	405.84	7.18	-37.45
CC1=CC2=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CN=C2C=C1	REAL300019713029	0	42	-1.0	-46.36	359.49	5.49	-40.87
CC1=CC2=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CN=C2C=C1	REAL300019713029	1	42	-1.0	-46.32	359.43	5.48	-40.84
CN1C=C(C2=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=NO2)N=N1	REAL300019713030	0	39	-1.0	-49.62	354.37	2.06	-47.56
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CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713034	0	49	-1.0	-46.62	396.80	7.76	-38.86
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713034	1	49	-1.0	-46.63	396.86	7.78	-38.85
COC1(C(F)(F)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCC1	REAL300019713035	0	44	-1.0	-43.17	354.64	4.45	-38.72
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CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=C1Br	REAL300019713038	0	36	-1.0	-43.68	333.72	3.80	-39.88
CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=C1Br	REAL300019713038	1	36	-1.0	-43.70	333.66	3.78	-39.92
CN(C)C1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019713039	0	44	-1.0	-47.70	377.44	5.68	-42.02
CN(C)C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019713039	1	44	-1.0	-47.74	377.50	5.70	-42.04
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O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CC2(F)F)C1	REAL300019713048	1	41	-1.0	-45.96	349.80	5.52	-40.44
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC2C1C2(F)F	REAL300019713049	0	41	-1.0	-49.71	339.39	5.33	-44.38
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC2C1C2(F)F	REAL300019713049	1	41	-1.0	-49.68	339.45	5.35	-44.33
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CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713052	0	52	-1.0	-43.61	376.52	6.45	-37.16
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713052	1	52	-1.0	-43.60	376.57	6.46	-37.14
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COC1=CC=CC=C1OC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713065	0	45	-1.0	-53.60	376.24	5.27	-48.33
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713065	1	45	-1.0	-53.59	376.30	5.28	-48.31
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713066	0	37	-1.0	-51.59	339.98	3.50	-48.09
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713066	1	37	-1.0	-51.60	340.03	3.51	-48.09
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713067	0	48	-1.0	-56.00	401.10	3.23	-52.77
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CCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N2C=C(C)SC2=N1	REAL300019713068	0	43	-1.0	-47.41	373.47	6.18	-41.23
CCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N2C=C(C)SC2=N1	REAL300019713068	1	43	-1.0	-47.47	373.53	6.20	-41.27
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC(C2CCCO2)O1	REAL300019713069	0	46	-1.0	-48.98	375.34	3.69	-45.29
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC(C2CCCO2)O1	REAL300019713069	1	46	-1.0	-48.98	375.40	3.70	-45.28
CC1=CC(F)=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019713070	0	39	-1.0	-46.17	347.88	5.80	-40.37
CC1=CC(F)=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019713070	1	39	-1.0	-46.17	347.94	5.82	-40.35
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CC1=CC2=C(C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)S2)S1	REAL300019713075	0	37	-1.0	-43.92	347.88	5.75	-38.17
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CCCOCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713078	0	43	-1.0	-48.11	360.17	3.73	-44.38
CCCOCCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713078	1	43	-1.0	-48.10	360.22	3.75	-44.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN2C=NN=C2C=N1	REAL300019713079	0	35	-1.0	-46.63	314.92	4.02	-42.61
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN2C=NN=C2C=N1	REAL300019713079	1	35	-1.0	-46.61	314.87	4.01	-42.60
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713080	0	35	-1.0	-47.45	324.18	2.35	-45.10
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713080	1	35	-1.0	-47.47	324.12	2.33	-45.14
CON(CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300019713081	0	51	-1.0	-47.79	420.59	4.49	-43.30
CON(CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300019713081	1	51	-1.0	-47.80	420.65	4.51	-43.29
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300019713082	0	39	-1.0	-48.29	333.01	4.79	-43.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300019713082	1	39	-1.0	-48.29	332.95	4.78	-43.51
COC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(F)C=N1	REAL300019713083	0	39	-1.0	-46.09	352.66	3.38	-42.71
COC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(F)C=N1	REAL300019713083	1	39	-1.0	-46.11	352.60	3.37	-42.74
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713084	0	42	-1.0	-50.07	353.40	5.80	-44.27
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713084	1	42	-1.0	-50.03	353.45	5.81	-44.22
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2SC=CC2=CN=C1	REAL300019713085	0	36	-1.0	-47.14	326.52	4.06	-43.08
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2SC=CC2=CN=C1	REAL300019713085	1	36	-1.0	-47.14	326.46	4.05	-43.09
CC(C)C(C)C(C)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713086	0	48	-1.0	-44.73	366.78	5.62	-39.11
CC(C)C(C)C(C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713086	1	48	-1.0	-44.77	366.84	5.63	-39.14
COC1CC2(C1)CC(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)C2	REAL300019713087	0	45	-1.0	-45.61	370.43	4.25	-41.36
COC1CC2(C1)CC(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)C2	REAL300019713087	1	45	-1.0	-45.61	370.49	4.27	-41.34
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713088	0	50	-1.0	-48.72	412.78	6.61	-42.11
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713088	1	50	-1.0	-48.75	412.84	6.62	-42.13
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C[C@@H]12	REAL300019713089	0	39	-1.0	-48.44	334.00	3.08	-45.36
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C[C@@H]12	REAL300019713089	1	39	-1.0	-48.47	334.06	3.09	-45.38
CC1(C)CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CO1	REAL300019713090	0	44	-1.0	-44.28	348.39	3.44	-40.84
CC1(C)CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CO1	REAL300019713090	1	44	-1.0	-44.25	348.44	3.46	-40.79
O=C(CC1CCCNC(=O)C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713091	0	44	-1.0	-58.90	353.90	1.96	-56.94
O=C(CC1CCCNC(=O)C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713091	1	44	-1.0	-58.90	353.96	1.98	-56.92
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1C(F)(F)F	REAL300019713092	0	37	-1.0	-48.53	319.76	4.56	-43.97
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1C(F)(F)F	REAL300019713092	1	37	-1.0	-48.50	319.82	4.57	-43.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCCC12CCC2	REAL300019713093	0	47	-1.0	-44.81	358.85	6.46	-38.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCCC12CCC2	REAL300019713093	1	47	-1.0	-44.84	358.91	6.47	-38.37
CC12CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(CO1)CCC2	REAL300019713094	0	45	-1.0	-44.25	353.08	3.68	-40.57
CC12CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(CO1)CCC2	REAL300019713094	1	45	-1.0	-44.21	353.14	3.69	-40.52
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CCCC1C2(F)F	REAL300019713095	0	38	-1.0	-44.93	327.34	4.81	-40.12
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CCCC1C2(F)F	REAL300019713095	1	38	-1.0	-44.95	327.40	4.82	-40.13
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019713096	0	50	-1.0	-45.95	395.58	8.01	-37.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019713096	1	50	-1.0	-45.90	395.64	8.02	-37.88
CN1C=NC2=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=CC=C21	REAL300019713097	0	40	-1.0	-56.58	344.70	5.93	-50.65
CN1C=NC2=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=CC=C21	REAL300019713097	1	40	-1.0	-56.61	344.64	5.92	-50.69
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CCCCC1C2(F)F	REAL300019713098	0	41	-1.0	-44.00	337.91	5.25	-38.75
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CCCCC1C2(F)F	REAL300019713098	1	41	-1.0	-44.03	337.97	5.27	-38.76
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Cl)C=NN1C1CCCC1	REAL300019713099	0	44	-1.0	-43.02	384.49	5.52	-37.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Cl)C=NN1C1CCCC1	REAL300019713099	1	44	-1.0	-43.02	384.44	5.51	-37.51
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(C2CC2)C=CO1	REAL300019713100	0	38	-1.0	-44.95	328.66	4.60	-40.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(C2CC2)C=CO1	REAL300019713100	1	38	-1.0	-44.92	328.72	4.62	-40.30
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC(C2=CC=CC=N2)=C1	REAL300019713101	0	40	-1.0	-49.46	354.61	2.73	-46.73
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC(C2=CC=CC=N2)=C1	REAL300019713101	1	40	-1.0	-49.47	354.55	2.72	-46.75
CC1(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCO1	REAL300019713102	0	41	-1.0	-48.46	332.80	3.81	-44.65
CC1(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCCO1	REAL300019713102	1	41	-1.0	-48.49	332.86	3.82	-44.67
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713103	0	34	-1.0	-39.50	331.65	0.78	-38.72
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713103	1	34	-1.0	-39.52	331.59	0.76	-38.76
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC2=CC=CNC2=C1	REAL300019713104	0	37	-1.0	-59.66	326.77	2.62	-57.04
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC2=CC=CNC2=C1	REAL300019713104	1	37	-1.0	-59.67	326.71	2.61	-57.06
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713105	0	49	-1.0	-48.21	412.79	4.55	-43.66
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713105	1	49	-1.0	-48.19	412.74	4.54	-43.65
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C2C3CC1C(=O)C32	REAL300019713106	0	38	-1.0	-54.21	322.93	4.20	-50.01
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C2C3CC1C(=O)C32	REAL300019713106	1	38	-1.0	-54.22	322.99	4.22	-50.00
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CN2N=NC=C12	REAL300019713107	0	36	-1.0	-48.96	315.47	3.03	-45.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CN2N=NC=C12	REAL300019713107	1	36	-1.0	-48.94	315.41	3.02	-45.92
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713202	0	40	-1.0	-44.77	343.73	1.22	-43.55
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713202	1	40	-1.0	-44.75	343.79	1.23	-43.52
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713203	0	36	-1.0	-43.72	318.44	0.06	-43.66
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713203	1	36	-1.0	-43.72	318.50	0.08	-43.64
[N-]=[N+]=NCC(F)(F)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713204	0	38	-1.0	-45.71	345.68	0.46	-45.25
[N-]=[N+]=NCC(F)(F)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713204	1	38	-1.0	-45.73	345.74	0.47	-45.26
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713205	0	43	-1.0	-49.48	379.49	0.13	-49.35
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713205	1	43	-1.0	-49.49	379.55	0.14	-49.35
[N-]=[N+]=NC1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713206	0	39	-1.0	-47.14	335.25	0.67	-46.47
[N-]=[N+]=NC1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713206	1	39	-1.0	-47.13	335.31	0.68	-46.45
CC1=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C2C=CNC2=N1	REAL300019713207	0	39	-1.0	-46.98	340.22	3.55	-43.43
CC1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C2C=CNC2=N1	REAL300019713207	1	39	-1.0	-46.98	340.16	3.54	-43.44
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713208	0	42	-1.0	-46.07	369.18	3.71	-42.36
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713208	1	42	-1.0	-46.02	369.24	3.73	-42.29
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713209	0	49	-1.0	-45.53	389.81	7.39	-38.14
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713209	1	49	-1.0	-45.54	389.87	7.41	-38.13
CC1(C)CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713210	0	49	-1.0	-43.40	363.56	5.95	-37.45
CC1(C)CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713210	1	49	-1.0	-43.38	363.62	5.97	-37.41
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713211	0	48	-1.0	-48.99	404.41	6.93	-42.06
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713211	1	48	-1.0	-48.98	404.47	6.94	-42.04
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713212	0	49	-1.0	-45.23	371.96	6.25	-38.98
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713212	1	49	-1.0	-45.26	372.03	6.26	-39.00
CC(C)N1C=C(C2CC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019713213	0	47	-1.0	-46.57	394.03	5.68	-40.89
CC(C)N1C=C(C2CC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019713213	1	47	-1.0	-46.59	393.97	5.67	-40.92
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300019713214	0	41	-1.0	-51.55	361.31	4.99	-46.56
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300019713214	1	41	-1.0	-51.54	361.36	5.00	-46.54
COC1=CN=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713215	0	36	-1.0	-44.38	318.85	0.89	-43.49
COC1=CN=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713215	1	36	-1.0	-44.39	318.79	0.88	-43.51
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713216	0	37	-1.0	-44.36	325.63	4.44	-39.92
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713216	1	37	-1.0	-44.40	325.68	4.46	-39.94
CC1CC(=O)NCC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713217	0	41	-1.0	-48.71	339.04	1.16	-47.55
CC1CC(=O)NCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713217	1	41	-1.0	-48.72	339.10	1.17	-47.55
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713218	0	38	-1.0	-51.57	337.94	1.28	-50.29
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713218	1	38	-1.0	-51.58	337.99	1.29	-50.29
CN1N=C(Br)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019713219	0	33	-1.0	-45.13	316.98	1.07	-44.06
CN1N=C(Br)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019713219	1	33	-1.0	-45.08	316.93	1.05	-44.03
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713220	0	43	-1.0	-44.31	347.81	5.29	-39.02
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713220	1	43	-1.0	-44.31	347.87	5.31	-39.00
COC1(C#N)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713221	0	39	-1.0	-48.91	339.30	2.48	-46.43
COC1(C#N)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713221	1	39	-1.0	-48.89	339.35	2.50	-46.39
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300019713222	0	42	-1.0	-46.29	367.85	7.27	-39.02
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300019713222	1	42	-1.0	-46.28	367.91	7.28	-39.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCOC2(CCCCC2)C1	REAL300019713223	0	51	-1.0	-45.71	387.79	5.43	-40.28
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCOC2(CCCCC2)C1	REAL300019713223	1	51	-1.0	-45.76	387.85	5.44	-40.32
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713224	0	47	-1.0	-51.62	400.40	7.88	-43.74
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713224	1	47	-1.0	-51.61	400.45	7.90	-43.71
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713225	0	38	-1.0	-47.46	312.25	2.12	-45.34
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713225	1	38	-1.0	-47.47	312.30	2.13	-45.34
CC1(C)CC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CO1	REAL300019713226	0	44	-1.0	-48.39	357.14	3.69	-44.70
CC1(C)CC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CO1	REAL300019713226	1	44	-1.0	-48.38	357.20	3.70	-44.68
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300019713227	0	46	-1.0	-47.14	379.52	7.76	-39.38
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300019713227	1	46	-1.0	-47.11	379.57	7.77	-39.34
COC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC(F)=C1F	REAL300019713228	0	38	-1.0	-44.29	339.00	3.86	-40.43
COC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC(F)=C1F	REAL300019713228	1	38	-1.0	-44.29	339.06	3.87	-40.42
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713229	0	43	-1.0	-51.78	365.30	4.58	-47.20
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713229	1	43	-1.0	-51.81	365.24	4.56	-47.25
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300019713230	0	36	-1.0	-44.21	344.42	4.21	-40.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300019713230	1	36	-1.0	-44.20	344.36	4.20	-40.00
O=C(CC1CCC(=O)NC1=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713231	0	40	-1.0	-57.18	338.13	1.96	-55.22
O=C(CC1CCC(=O)NC1=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713231	1	40	-1.0	-57.14	338.19	1.98	-55.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCCC(=O)C1	REAL300019713232	0	42	-1.0	-45.41	336.59	4.24	-41.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCCC(=O)C1	REAL300019713232	1	42	-1.0	-45.42	336.65	4.25	-41.17
CCN1N=C(Br)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019713233	0	36	-1.0	-44.51	338.52	1.92	-42.59
CCN1N=C(Br)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019713233	1	36	-1.0	-44.56	338.46	1.90	-42.66
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(Cl)=N1	REAL300019713234	0	45	-1.0	-49.53	383.69	5.71	-43.82
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(Cl)=N1	REAL300019713234	1	45	-1.0	-49.51	383.63	5.70	-43.81
CN1C(=O)NC2(CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CC2)C1=O	REAL300019713235	0	49	-1.0	-50.60	398.46	2.43	-48.17
CN1C(=O)NC2(CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CC2)C1=O	REAL300019713235	1	49	-1.0	-50.62	398.51	2.45	-48.17
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300019713236	0	41	-1.0	-54.26	355.94	4.46	-49.80
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300019713236	1	41	-1.0	-54.19	356.00	4.47	-49.72
CC1=C2NN=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C2=CC=C1	REAL300019713237	0	40	-1.0	-46.57	347.10	3.77	-42.80
CC1=C2NN=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C2=CC=C1	REAL300019713237	1	40	-1.0	-46.55	347.04	3.76	-42.79
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CCOCC2)O1	REAL300019713238	0	46	-1.0	-49.41	370.16	3.50	-45.91
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CCOCC2)O1	REAL300019713238	1	46	-1.0	-49.38	370.22	3.52	-45.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CCC2)O1	REAL300019713239	0	42	-1.0	-48.69	345.56	4.63	-44.06
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CCC2)O1	REAL300019713239	1	42	-1.0	-48.69	345.62	4.64	-44.05
CC1=CC=CC=C1C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NO1	REAL300019713240	0	43	-1.0	-42.58	375.64	6.12	-36.46
CC1=CC=CC=C1C1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NO1	REAL300019713240	1	43	-1.0	-42.62	375.58	6.10	-36.52
CC(F)(F)C1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019713241	0	39	-1.0	-43.58	348.16	4.49	-39.09
CC(F)(F)C1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019713241	1	39	-1.0	-43.63	348.10	4.48	-39.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=C1COC2	REAL300019713242	0	39	-1.0	-47.55	330.54	3.73	-43.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=C1COC2	REAL300019713242	1	39	-1.0	-47.56	330.60	3.74	-43.82
CC1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713243	0	46	-1.0	-43.38	353.09	5.71	-37.67
CC1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713243	1	46	-1.0	-43.35	353.15	5.72	-37.63
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1Cl	REAL300019713244	0	40	-1.0	-44.25	351.21	6.08	-38.17
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1Cl	REAL300019713244	1	40	-1.0	-44.22	351.27	6.10	-38.12
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300019713245	0	46	-1.0	-48.02	393.93	7.10	-40.92
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300019713245	1	46	-1.0	-48.04	393.98	7.11	-40.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL300019713246	0	34	-1.0	-47.54	298.88	3.90	-43.64
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL300019713246	1	34	-1.0	-47.55	298.95	3.90	-43.65
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300019713247	0	37	-1.0	-47.97	348.88	5.35	-42.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300019713247	1	37	-1.0	-48.00	348.94	5.37	-42.63
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC2=NC=CN2C=C1	REAL300019713248	0	36	-1.0	-49.54	320.59	5.65	-43.89
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC2=NC=CN2C=C1	REAL300019713248	1	36	-1.0	-49.51	320.53	5.63	-43.88
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300019713249	0	46	-1.0	-50.69	377.69	0.07	-50.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300019713249	1	46	-1.0	-50.71	377.74	0.08	-50.63
CCCN1C=C(Cl)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019713250	0	40	-1.0	-47.37	360.62	4.36	-43.01
CCCN1C=C(Cl)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019713250	1	40	-1.0	-47.40	360.56	4.34	-43.06
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(Cl)N=C1C	REAL300019713251	0	39	-1.0	-49.59	343.03	4.26	-45.33
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(Cl)N=C1C	REAL300019713251	1	39	-1.0	-49.57	343.09	4.28	-45.29
COC(=O)C1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713252	0	43	-1.0	-49.16	358.36	4.61	-44.55
COC(=O)C1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713252	1	43	-1.0	-49.14	358.42	4.63	-44.51
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C21	REAL300019713253	0	43	-1.0	-55.94	378.45	3.80	-52.14
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C21	REAL300019713253	1	43	-1.0	-55.96	378.51	3.81	-52.15
CC(C)(C)C1CCNC2=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=NN21	REAL300019713254	0	52	-1.0	-47.55	406.35	4.82	-42.73
CC(C)(C)C1CCNC2=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=NN21	REAL300019713254	1	52	-1.0	-47.56	406.29	4.80	-42.76
CNC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)SC2=NC=CN=C21	REAL300019713255	0	40	-1.0	-47.68	358.38	1.23	-46.45
CNC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)SC2=NC=CN=C21	REAL300019713255	1	40	-1.0	-47.66	358.33	1.21	-46.45
CC1=NN=C2SC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C(N)C2=C1C	REAL300019713256	0	43	-1.0	-46.66	368.43	2.42	-44.24
CC1=NN=C2SC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C(N)C2=C1C	REAL300019713256	1	43	-1.0	-46.67	368.49	2.44	-44.23
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300019713257	0	46	-1.0	-45.79	398.27	7.00	-38.79
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300019713257	1	46	-1.0	-45.81	398.21	6.99	-38.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=NC=CC=C2F)CC1	REAL300019713258	0	40	-1.0	-46.04	353.64	4.57	-41.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=NC=CC=C2F)CC1	REAL300019713258	1	40	-1.0	-46.05	353.58	4.56	-41.49
CC1=C(Cl)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1	REAL300019713259	0	34	-1.0	-46.26	316.25	1.98	-44.28
CC1=C(Cl)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1	REAL300019713259	1	34	-1.0	-46.28	316.20	1.96	-44.32
CC1=NNC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300019713259	1	34	-1.0	-44.93	315.76	2.02	-42.91
CC1=NNC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300019713259	1	34	-1.0	-44.92	315.70	2.01	-42.91
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713260	0	38	-1.0	-52.90	336.05	1.31	-51.59
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713260	1	38	-1.0	-52.93	336.11	1.32	-51.61
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C1=CC=C(F)C=C1)C1CC1	REAL300019713261	0	44	-1.0	-45.52	377.22	7.21	-38.31
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C1=CC=C(F)C=C1)C1CC1	REAL300019713261	1	44	-1.0	-45.49	377.28	7.23	-38.26
N#CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC(=O)C1	REAL300019713262	0	34	-1.0	-46.34	309.62	2.63	-43.71
N#CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC(=O)C1	REAL300019713262	1	34	-1.0	-46.35	309.68	2.64	-43.71
CC12CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(C1)CCO2	REAL300019713263	0	42	-1.0	-45.09	338.47	3.23	-41.86
CC12CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(C1)CCO2	REAL300019713263	1	42	-1.0	-45.10	338.53	3.24	-41.86
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C[C@@H]12	REAL300019713264	0	37	-1.0	-46.83	330.53	0.74	-46.09
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C[C@@H]12	REAL300019713264	1	37	-1.0	-46.81	330.59	0.75	-46.06
[N-]=[N+]=NC12CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(CC1)C2	REAL300019713265	0	43	-1.0	-46.20	358.78	1.55	-44.65
[N-]=[N+]=NC12CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(CC1)C2	REAL300019713265	1	43	-1.0	-46.24	358.84	1.57	-44.67
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C2CCC2)=NO1	REAL300019713266	0	40	-1.0	-41.54	343.02	4.42	-37.12
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C2CCC2)=NO1	REAL300019713266	1	40	-1.0	-41.55	343.08	4.44	-37.11
CC(C)C1=NOC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713267	0	41	-1.0	-52.36	347.63	4.10	-48.26
CC(C)C1=NOC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713267	1	41	-1.0	-52.33	347.69	4.11	-48.22
CC1=CC(C(F)(F)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CS1	REAL300019713268	0	37	-1.0	-42.02	343.99	4.99	-37.03
CC1=CC(C(F)(F)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CS1	REAL300019713268	1	37	-1.0	-42.04	344.05	5.01	-37.03
CC(C)(C#N)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713269	0	40	-1.0	-52.80	337.66	4.20	-48.60
CC(C)(C#N)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713269	1	40	-1.0	-52.78	337.72	4.21	-48.57
[N-]=[N+]=NC1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713270	0	36	-1.0	-45.50	324.63	2.14	-43.36
[N-]=[N+]=NC1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713270	1	36	-1.0	-45.50	324.69	2.16	-43.34
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300019713271	0	36	-1.0	-45.24	333.02	-0.08	-45.32
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019713271	1	36	-1.0	-45.25	333.08	-0.06	-45.31
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713272	0	40	-1.0	-45.96	352.87	4.58	-41.38
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713272	1	40	-1.0	-45.94	352.92	4.59	-41.35
[N-]=[N+]=NCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713273	0	35	-1.0	-48.49	313.28	-0.45	-48.94
[N-]=[N+]=NCCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713273	1	35	-1.0	-48.52	313.34	-0.44	-48.96
[N-]=[N+]=NCCCCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713274	0	44	-1.0	-46.36	377.77	1.89	-44.47
[N-]=[N+]=NCCCCCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713274	1	44	-1.0	-46.36	377.83	1.90	-44.46
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713275	0	39	-1.0	-46.32	348.58	1.70	-44.62
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713275	1	39	-1.0	-46.30	348.64	1.71	-44.59
[N-]=[N+]=NCCCCCCCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713276	0	53	-1.0	-47.13	442.27	4.23	-42.90
[N-]=[N+]=NCCCCCCCCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713276	1	53	-1.0	-47.13	442.33	4.25	-42.88
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C(Cl)N=C1Cl	REAL300019713277	0	36	-1.0	-42.98	339.50	4.14	-38.84
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C(Cl)N=C1Cl	REAL300019713277	1	36	-1.0	-43.01	339.44	4.13	-38.88
CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(N=[N+]=[N-])=C1	REAL300019713278	0	39	-1.0	-48.69	344.28	3.11	-45.58
CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(N=[N+]=[N-])=C1	REAL300019713278	1	39	-1.0	-48.71	344.33	3.12	-45.59
CCOCC(N=[N+]=[N-])C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713279	0	39	-1.0	-46.34	347.02	-1.21	-47.55
CCOCC(N=[N+]=[N-])C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713279	1	39	-1.0	-46.32	346.96	-1.22	-47.54
CC1=C(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(N2C=NN=N2)S1	REAL300019713280	0	42	-1.0	-54.50	378.28	4.91	-49.59
CC1=C(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(N2C=NN=N2)S1	REAL300019713280	1	42	-1.0	-54.49	378.23	4.89	-49.60
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=C(OCC4=N[N-]N=N4)C=C1)(C2)C3	REAL300019713281	0	54	-1.0	-44.46	408.36	7.37	-37.09
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=C(OCC4=NN=N[N-]4)C=C1)(C2)C3	REAL300019713281	1	54	-1.0	-44.43	408.42	7.38	-37.05
CN1C=C(C(F)(F)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019713282	0	37	-1.0	-45.89	335.88	3.04	-42.85
CN1C=C(C(F)(F)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019713282	1	37	-1.0	-45.88	335.82	3.02	-42.86
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCCNC1=O	REAL300019713283	0	44	-1.0	-41.88	341.86	1.99	-39.89
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCCCNC1=O	REAL300019713283	1	44	-1.0	-41.86	341.92	2.01	-39.85
COC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C(F)(F)F)=N1	REAL300019713284	0	39	-1.0	-49.22	351.18	0.33	-48.89
COC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C(F)(F)F)=N1	REAL300019713284	1	39	-1.0	-49.25	351.13	0.32	-48.93
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300019713285	0	39	-1.0	-49.03	351.58	5.20	-43.83
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300019713285	1	39	-1.0	-49.04	351.52	5.18	-43.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(C2CCC2)C1	REAL300019713286	0	44	-1.0	-45.54	356.38	6.08	-39.46
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(C2CCC2)C1	REAL300019713286	1	44	-1.0	-45.53	356.44	6.09	-39.44
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(CN2CCOCC2)C=C1	REAL300019713287	0	50	-1.0	-46.85	405.87	3.51	-43.34
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(CN2CCOCC2)C=C1	REAL300019713287	1	50	-1.0	-46.84	405.93	3.52	-43.32
CCNC(=O)N1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713288	0	49	-1.0	-54.67	393.56	3.24	-51.43
CCNC(=O)N1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713288	1	49	-1.0	-54.67	393.62	3.25	-51.42
COC1=CC([C@@H](C)CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1C	REAL300019713289	0	50	-1.0	-45.81	405.78	6.40	-39.41
COC1=CC([C@@H](C)CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1C	REAL300019713289	1	50	-1.0	-45.80	405.84	6.41	-39.39
C#CC1=CC=CC(OCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713290	0	40	-1.0	-53.00	357.83	6.11	-46.89
C#CC1=CC=CC(OCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713290	1	40	-1.0	-53.02	357.89	6.13	-46.89
O=C(C=CC1=CC=C2CCOCC2=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713291	0	46	-1.0	-47.37	384.99	5.71	-41.66
O=C(C=CC1=CC=C2CCOCC2=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713291	1	46	-1.0	-47.40	385.05	5.73	-41.67
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC2(CCC2)C1	REAL300019713292	0	47	-1.0	-44.61	366.21	6.31	-38.30
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC2(CCC2)C1	REAL300019713292	1	47	-1.0	-44.59	366.26	6.33	-38.26
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713293	0	50	-1.0	-47.16	414.74	6.54	-40.62
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713293	1	50	-1.0	-47.18	414.80	6.56	-40.62
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019713294	0	50	-1.0	-46.44	416.92	6.69	-39.75
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019713294	1	50	-1.0	-46.42	416.86	6.67	-39.75
CNC(=O)NC(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713295	0	39	-1.0	-46.52	334.68	-0.67	-47.19
CNC(=O)NC(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713295	1	39	-1.0	-46.49	334.74	-0.66	-47.15
CNC(=O)N[C@@H](C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713296	0	39	-1.0	-47.15	334.68	-0.67	-47.82
CNC(=O)N[C@@H](C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713296	1	39	-1.0	-47.14	334.74	-0.66	-47.80
CNC(=O)N[C@H](C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713297	0	39	-1.0	-46.88	334.99	-0.68	-47.56
CNC(=O)N[C@H](C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713297	1	39	-1.0	-46.90	335.05	-0.66	-47.56
CC(C)[C@@H](NC(N)=O)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713298	0	42	-1.0	-45.27	344.03	-0.84	-46.11
CC(C)[C@@H](NC(N)=O)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713298	1	42	-1.0	-45.29	344.09	-0.82	-46.11
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CCCC1	REAL300019713299	0	41	-1.0	-43.75	329.95	5.02	-38.73
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CCCC1	REAL300019713299	1	41	-1.0	-43.76	330.01	5.03	-38.73
CC(C)(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N1C=CC(C2CC2)=N1	REAL300019713300	0	47	-1.0	-54.97	388.09	5.83	-49.14
CC(C)(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N1C=CC(C2CC2)=N1	REAL300019713300	1	47	-1.0	-54.96	388.15	5.84	-49.12
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2CCCCCCC21	REAL300019713301	0	50	-1.0	-44.67	373.09	6.62	-38.05
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2CCCCCCC21	REAL300019713301	1	50	-1.0	-44.67	373.15	6.64	-38.03
CC1CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCS1	REAL300019713302	0	41	-1.0	-45.68	333.36	5.37	-40.31
CC1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCS1	REAL300019713302	1	41	-1.0	-45.69	333.42	5.38	-40.31
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN2CC3(CC3)CC2=C1	REAL300019713303	0	42	-1.0	-46.29	358.47	4.39	-41.90
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN2CC3(CC3)CC2=C1	REAL300019713303	1	42	-1.0	-46.30	358.41	4.37	-41.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2CCC2)CC1	REAL300019713304	0	41	-1.0	-45.73	331.89	5.36	-40.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2CCC2)CC1	REAL300019713304	1	41	-1.0	-45.71	331.95	5.38	-40.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=NC=C2)CC1	REAL300019713305	0	40	-1.0	-45.67	343.05	4.40	-41.27
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=NC=C2)CC1	REAL300019713305	1	40	-1.0	-45.66	343.11	4.42	-41.24
COC12CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(CC1)C2	REAL300019713306	0	45	-1.0	-47.03	361.19	3.74	-43.29
COC12CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(CC1)C2	REAL300019713306	1	45	-1.0	-47.05	361.25	3.76	-43.29
CC(C)(F)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713307	0	39	-1.0	-45.41	327.15	4.21	-41.20
CC(C)(F)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713307	1	39	-1.0	-45.41	327.20	4.22	-41.19
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713308	0	39	-1.0	-53.80	343.38	2.01	-51.79
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713308	1	39	-1.0	-53.80	343.44	2.03	-51.77
COC1CC(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713309	0	44	-1.0	-47.82	364.84	3.93	-43.89
COC1CC(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713309	1	44	-1.0	-47.77	364.89	3.94	-43.83
CCCCC[C@@H](O)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713310	0	46	-1.0	-48.97	378.03	3.55	-45.42
CCCCC[C@@H](O)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713310	1	46	-1.0	-48.98	378.09	3.56	-45.42
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713311	0	40	-1.0	-50.00	356.19	4.50	-45.50
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713311	1	40	-1.0	-50.00	356.25	4.51	-45.49
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N2C=CC=CC2=N1	REAL300019713312	0	40	-1.0	-48.39	349.01	5.27	-43.12
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N2C=CC=CC2=N1	REAL300019713312	1	40	-1.0	-48.36	349.07	5.29	-43.07
CC(C)CC1=NC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019713313	0	44	-1.0	-42.52	371.91	4.49	-38.03
CC(C)CC1=NC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019713313	1	44	-1.0	-42.53	371.86	4.48	-38.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC3CC(CC(C3)O1)C2	REAL300019713314	0	46	-1.0	-45.48	352.60	4.37	-41.11
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC3CC(CC(C3)O1)C2	REAL300019713314	1	46	-1.0	-45.55	352.65	4.39	-41.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=CS2)CCOCC1	REAL300019713315	0	45	-1.0	-44.23	370.03	4.80	-39.43
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=CS2)CCOCC1	REAL300019713315	1	45	-1.0	-44.24	370.09	4.81	-39.43
CC1=CC=C(C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2CC2)C=C1	REAL300019713316	0	47	-1.0	-45.04	392.23	7.82	-37.22
CC1=CC=C(C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2CC2)C=C1	REAL300019713316	1	47	-1.0	-45.04	392.28	7.83	-37.21
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN2C=CC=NC2=C1Cl	REAL300019713317	0	36	-1.0	-52.47	337.56	3.77	-48.70
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN2C=CC=NC2=C1Cl	REAL300019713317	1	36	-1.0	-52.43	337.50	3.75	-48.68
CCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N2C=CC=CC2=N1	REAL300019713318	0	43	-1.0	-49.27	359.21	6.22	-43.05
CCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N2C=CC=CC2=N1	REAL300019713318	1	43	-1.0	-49.26	359.27	6.23	-43.03
CC1=CC(F)=CC=C1C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713319	0	44	-1.0	-44.00	373.62	6.86	-37.14
CC1=CC(F)=CC=C1C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713319	1	44	-1.0	-44.05	373.68	6.87	-37.18
CC1=CC=C(F)C=C1C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713320	0	44	-1.0	-42.81	373.78	6.82	-35.99
CC1=CC=C(F)C=C1C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713320	1	44	-1.0	-42.84	373.84	6.84	-36.00
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COC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=CC=CN=C2C=C1	REAL300019713322	0	43	-1.0	-48.48	369.92	3.94	-44.54
COC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=CC=CN=C2C=C1	REAL300019713322	1	43	-1.0	-48.47	369.86	3.93	-44.54
CCC1=C(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NO1	REAL300019713323	0	39	-1.0	-42.86	336.12	3.95	-38.91
CCC1=C(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NO1	REAL300019713323	1	39	-1.0	-42.85	336.06	3.94	-38.91
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C)C	REAL300019713324	0	46	-1.0	-48.92	379.25	5.29	-43.63
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C)C	REAL300019713324	1	46	-1.0	-48.91	379.31	5.31	-43.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(F)CC2(CCC2)C1	REAL300019713325	0	41	-1.0	-41.40	343.38	5.31	-36.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(F)CC2(CCC2)C1	REAL300019713325	1	41	-1.0	-41.39	343.44	5.32	-36.07
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCCNC1=O	REAL300019713326	0	41	-1.0	-43.46	323.38	1.68	-41.78
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCCNC1=O	REAL300019713326	1	41	-1.0	-43.46	323.44	1.69	-41.77
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O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC=C1C1CCC1	REAL300019713327	1	41	-1.0	-46.75	344.33	3.55	-43.20
CC1CC(C)(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC(C)O1	REAL300019713328	0	47	-1.0	-45.93	369.12	4.20	-41.73
CC1CC(C)(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019713328	1	47	-1.0	-45.94	369.18	4.22	-41.72
COCCN1C=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1=O	REAL300019713329	0	44	-1.0	-56.18	372.28	4.09	-52.09
COCCN1C=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1=O	REAL300019713329	1	44	-1.0	-56.16	372.34	4.11	-52.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300019713330	0	42	-1.0	-54.36	351.88	4.01	-50.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300019713330	1	42	-1.0	-54.32	351.93	4.03	-50.29
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@]12COC[C@H]1C2(F)F	REAL300019713332	0	36	-1.0	-44.58	319.29	2.23	-42.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@]12COC[C@H]1C2(F)F	REAL300019713332	1	36	-1.0	-44.59	319.35	2.24	-42.35
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713333	0	40	-1.0	-41.96	351.33	5.69	-36.27
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713333	1	40	-1.0	-41.94	351.39	5.71	-36.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CN(C2CCC2)C1=O	REAL300019713334	0	44	-1.0	-51.61	363.04	5.41	-46.20
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CN(C2CCC2)C1=O	REAL300019713334	1	44	-1.0	-51.57	363.10	5.42	-46.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300019713335	0	39	-1.0	-56.03	359.73	4.91	-51.12
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300019713335	1	39	-1.0	-56.05	359.67	4.90	-51.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019713336	0	37	-1.0	-42.27	342.29	5.28	-36.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019713336	1	37	-1.0	-42.29	342.34	5.29	-37.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019713337	0	37	-1.0	-45.40	342.17	5.27	-40.13
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019713337	1	37	-1.0	-45.43	342.23	5.29	-40.14
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713338	0	43	-1.0	-42.77	362.42	6.20	-36.57
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713338	1	43	-1.0	-42.77	362.47	6.21	-36.56
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713339	0	45	-1.0	-58.75	385.28	5.43	-53.32
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713339	1	45	-1.0	-58.75	385.22	5.41	-53.34
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713340	0	45	-1.0	-53.57	371.08	4.00	-49.57
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713340	1	45	-1.0	-53.56	371.14	4.01	-49.55
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC=C(Cl)N=C2S1	REAL300019713341	0	36	-1.0	-44.67	347.85	4.40	-40.27
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC=C(Cl)N=C2S1	REAL300019713341	1	36	-1.0	-44.67	347.79	4.38	-40.29
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713342	0	40	-1.0	-61.62	348.03	3.29	-58.33
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713342	1	40	-1.0	-61.66	348.09	3.31	-58.35
COC1=C2NC=C(CC(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C2=CC=C1	REAL300019713343	0	45	-1.0	-51.56	383.09	4.45	-47.11
COC1=C2NC=C(CC(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C2=CC=C1	REAL300019713343	1	45	-1.0	-51.53	383.15	4.46	-47.07
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300019713344	0	38	-1.0	-44.59	353.51	4.95	-39.64
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300019713344	1	38	-1.0	-44.57	353.45	4.94	-39.63
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C)=C1	REAL300019713345	0	46	-1.0	-51.35	393.16	6.24	-45.11
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C)=C1	REAL300019713345	1	46	-1.0	-51.37	393.22	6.26	-45.11
O=C(CN1C=NC=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713346	0	33	-1.0	-56.52	296.71	3.99	-52.53
O=C(CN1C=NC=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713346	1	33	-1.0	-56.52	296.66	3.98	-52.54
COCC(C)(O)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713347	0	41	-1.0	-47.18	338.44	0.94	-46.24
COCC(C)(O)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713347	1	41	-1.0	-47.16	338.50	0.96	-46.20
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=C(COCC2)N=C1Cl	REAL300019713348	0	41	-1.0	-49.22	358.39	3.15	-46.07
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C(COCC2)N=C1Cl	REAL300019713348	1	41	-1.0	-49.25	358.45	3.16	-46.09
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713349	0	43	-1.0	-60.07	374.87	1.06	-59.01
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713349	1	43	-1.0	-60.06	374.81	1.05	-59.01
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)NC2=C1CCCC2	REAL300019713350	0	45	-1.0	-45.69	365.15	5.32	-40.37
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)NC2=C1CCCC2	REAL300019713350	1	45	-1.0	-45.73	365.09	5.31	-40.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(CC2CCC2)=CN1	REAL300019713351	0	45	-1.0	-47.48	375.74	5.77	-41.71
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(CC2CCC2)=CN1	REAL300019713351	1	45	-1.0	-47.46	375.68	5.76	-41.70
COC(=O)C1=CSC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713352	0	40	-1.0	-51.17	368.08	4.90	-46.27
COC(=O)C1=CSC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713352	1	40	-1.0	-51.17	368.14	4.91	-46.26
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300019713353	0	43	-1.0	-54.35	381.02	5.80	-48.55
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300019713353	1	43	-1.0	-54.34	381.07	5.81	-48.53
CCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CS1	REAL300019713354	0	37	-1.0	-44.54	326.42	4.92	-39.62
CCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CS1	REAL300019713354	1	37	-1.0	-44.54	326.48	4.93	-39.61
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713355	0	43	0.0	-69.13	346.78	4.58	-64.55
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713355	1	43	0.0	-69.16	346.84	4.60	-64.56
CCCCN1C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=N1	REAL300019713356	0	42	-1.0	-44.92	362.74	3.16	-41.76
CCCCN1C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=N1	REAL300019713356	1	42	-1.0	-44.91	362.68	3.15	-41.76
C[C@H]1C(=O)N(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[C@H]1C	REAL300019713357	0	43	-1.0	-51.70	362.69	3.20	-48.50
C[C@H]1C(=O)N(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[C@H]1C	REAL300019713357	1	43	-1.0	-51.72	362.75	3.22	-48.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CNC(=O)C2)CC1	REAL300019713358	0	48	-1.0	-50.24	378.72	2.49	-47.75
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CNC(=O)C2)CC1	REAL300019713358	1	48	-1.0	-50.23	378.77	2.50	-47.73
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1(C)C	REAL300019713359	0	43	-1.0	-49.62	358.63	4.68	-44.94
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1(C)C	REAL300019713359	1	43	-1.0	-49.62	358.68	4.70	-44.92
CCC1=NOC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713360	0	38	-1.0	-53.30	327.72	3.55	-49.75
CCC1=NOC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713360	1	38	-1.0	-53.29	327.77	3.57	-49.72
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(C2CCOCC2)=NO1	REAL300019713361	0	46	-1.0	-53.77	380.45	3.61	-50.16
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(C2CCOCC2)=NO1	REAL300019713361	1	46	-1.0	-53.78	380.51	3.63	-50.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(CC2=CC=CC=C2)=NO1	REAL300019713362	0	45	-1.0	-55.04	387.62	6.53	-48.51
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(CC2=CC=CC=C2)=NO1	REAL300019713362	1	45	-1.0	-55.04	387.68	6.54	-48.50
CC1=NOC2(CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C2)C1	REAL300019713363	0	42	-1.0	-47.18	354.25	3.62	-43.56
CC1=NOC2(CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C2)C1	REAL300019713363	1	42	-1.0	-47.22	354.30	3.63	-43.59
CCCC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1C	REAL300019713364	0	43	-1.0	-46.86	365.58	4.25	-42.61
CCCC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1C	REAL300019713364	1	43	-1.0	-46.87	365.52	4.24	-42.63
CCCC1=NN(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713365	0	43	-1.0	-44.36	360.81	4.29	-40.07
CCCC1=NN(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713365	1	43	-1.0	-44.34	360.87	4.31	-40.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713366	0	49	0.0	-64.04	369.48	5.54	-58.50
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713366	1	49	0.0	-64.05	369.54	5.55	-58.50
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COC(=O)CC1(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713416	1	43	-1.0	-43.96	365.94	4.83	-39.13
CC(CC1=CC=NC=C1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713417	0	42	-1.0	-45.95	353.21	4.61	-41.34
CC(CC1=CC=NC=C1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713417	1	42	-1.0	-45.95	353.26	4.63	-41.32
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C2C3CC1CC32	REAL300019713418	0	39	-1.0	-46.02	319.22	5.06	-40.96
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C2C3CC1CC32	REAL300019713418	1	39	-1.0	-46.07	319.28	5.07	-41.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(N2C=CN=C2)C1	REAL300019713419	0	41	-1.0	-51.68	347.14	5.43	-46.25
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(N2C=CN=C2)C1	REAL300019713419	1	41	-1.0	-51.62	347.20	5.44	-46.18
CC(C)CCCOCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713420	0	46	-1.0	-48.36	378.28	5.24	-43.12
CC(C)CCCOCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713420	1	46	-1.0	-48.37	378.34	5.26	-43.11
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CC1=CC=CC(C(O)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019713422	0	41	-1.0	-45.57	351.11	3.73	-41.84
CC1=CC=CC(C(O)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019713422	1	41	-1.0	-45.54	351.16	3.75	-41.79
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CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CN1C	REAL300019713424	0	38	-1.0	-50.94	326.01	4.50	-46.44
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CN1C	REAL300019713424	1	38	-1.0	-50.96	326.07	4.52	-46.44
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC(CN2C=CC=N2)=C1	REAL300019713425	0	41	-1.0	-54.06	364.76	4.27	-49.79
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC(CN2C=CC=N2)=C1	REAL300019713425	1	41	-1.0	-54.07	364.71	4.25	-49.82
COC1=CC=C(Cl)C(F)=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713426	0	38	-1.0	-48.81	352.39	4.16	-44.65
COC1=CC=C(Cl)C(F)=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713426	1	38	-1.0	-48.83	352.45	4.18	-44.65
N#CC1=CNC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C12	REAL300019713427	0	39	-1.0	-57.31	349.31	4.94	-52.37
N#CC1=CNC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C12	REAL300019713427	1	39	-1.0	-57.30	349.37	4.95	-52.35
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CNC(C2=CC=CC=C2)=C1	REAL300019713428	0	42	-1.0	-50.84	361.84	5.84	-45.00
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CNC(C2=CC=CC=C2)=C1	REAL300019713428	1	42	-1.0	-50.82	361.89	5.85	-44.97
CCC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019713429	0	40	-1.0	-48.84	344.19	5.96	-42.88
CCC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019713429	1	40	-1.0	-48.83	344.25	5.97	-42.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@]12CCO[C@H]1CC(=O)NC2	REAL300019713430	0	43	-1.0	-52.21	350.68	-0.17	-52.38
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@]12CCO[C@H]1CC(=O)NC2	REAL300019713430	1	43	-1.0	-52.19	350.73	-0.16	-52.35
CC1CCCC(O)(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713431	0	47	-1.0	-44.29	358.92	3.20	-41.09
CC1CCCC(O)(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713431	1	47	-1.0	-44.31	358.98	3.21	-41.10
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(S(N)(=O)=O)S1	REAL300019713432	0	39	-1.0	-58.34	358.93	0.44	-57.90
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(S(N)(=O)=O)S1	REAL300019713432	1	39	-1.0	-58.34	358.99	0.45	-57.89
CC(C)(C)C1CCC(C(O)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713433	0	56	-1.0	-42.74	408.69	5.38	-37.36
CC(C)(C)C1CCC(C(O)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713433	1	56	-1.0	-42.76	408.75	5.39	-37.37
O=C(CC1=CN=NS1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713434	0	32	-1.0	-51.83	300.41	1.76	-50.07
O=C(CC1=CN=NS1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713434	1	32	-1.0	-51.85	300.47	1.78	-50.07
CCOC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CS1	REAL300019713435	0	38	-1.0	-48.85	339.79	4.69	-44.16
CCOC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CS1	REAL300019713435	1	38	-1.0	-48.87	339.85	4.71	-44.16
NC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=NN1C1=CC=CC=C1F	REAL300019713436	0	43	-1.0	-49.42	375.27	4.80	-44.62
NC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=NN1C1=CC=CC=C1F	REAL300019713436	1	43	-1.0	-49.35	375.21	4.78	-44.57
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2NC=CC2=CC(F)=C1	REAL300019713437	0	38	-1.0	-44.59	332.27	4.70	-39.89
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2NC=CC2=CC(F)=C1	REAL300019713437	1	38	-1.0	-44.60	332.33	4.71	-39.89
CCC1=NNC(CC)=C1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713438	0	46	-1.0	-49.43	379.79	4.01	-45.42
CCC1=NNC(CC)=C1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713438	1	46	-1.0	-49.44	379.73	4.00	-45.44
CN(C)C1=NC2=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=CC=C2O1	REAL300019713439	0	44	-1.0	-56.45	376.14	3.23	-53.22
CN(C)C1=NC2=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=CC=C2O1	REAL300019713439	1	44	-1.0	-56.44	376.08	3.21	-53.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL300019713440	0	47	-1.0	-48.36	398.86	5.99	-42.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL300019713440	1	47	-1.0	-48.36	398.91	6.01	-42.35
CS(C)(=O)=NC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300019713441	0	41	-1.0	-61.03	372.08	1.89	-59.14
CS(C)(=O)=NC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300019713441	1	41	-1.0	-61.02	372.14	1.90	-59.12
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713442	0	52	0.0	-63.45	389.31	6.73	-56.72
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713442	1	52	0.0	-63.00	392.01	6.75	-56.25
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713442	1	52	0.0	-63.45	389.31	6.73	-56.72
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713442	1	52	0.0	-63.00	392.01	6.75	-56.25
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713443	0	46	0.0	-62.36	353.23	5.35	-57.01
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713443	1	46	0.0	-62.38	353.21	5.36	-57.02
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713443	1	46	0.0	-62.36	353.23	5.35	-57.01
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713443	1	46	0.0	-62.38	353.21	5.36	-57.02
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019713444	0	41	-1.0	-45.98	349.57	6.46	-39.52
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019713444	1	41	-1.0	-45.99	349.62	6.47	-39.52
CCC(=CC1=CC=CC=C1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019713445	0	44	-1.0	-44.42	361.95	6.81	-37.61
CCC(=CC1=CC=CC=C1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019713445	1	44	-1.0	-44.41	362.01	6.83	-37.58
CC(C)CC(NC(=O)C1=CC=C(C2=CCCC2)C=C1)C1=N[N-]N=N1	REAL300019718202	0	46	-1.0	-46.38	372.19	7.51	-38.87
CC(C)CC(NC(=O)C1=CC=C(C2=CCCC2)C=C1)C1=NN=N[N-]1	REAL300019718202	1	46	-1.0	-46.37	372.24	7.52	-38.85
CC(C)CC(NC(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300019718203	0	47	-1.0	-46.18	374.91	6.73	-39.45
CC(C)CC(NC(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300019718203	1	47	-1.0	-46.17	374.97	6.74	-39.43
CC(C)CC(NC(=O)C1=CC2=NON=C2C=C1)C1=NN=N[N-]1	REAL300019718204	0	36	-1.0	-44.58	306.72	3.06	-41.52
CC(C)CC(NC(=O)C1=CC2=NON=C2C=C1)C1=N[N-]N=N1	REAL300019718204	1	36	-1.0	-44.58	306.66	3.04	-41.54
CC(C)CC(NC(=O)C1=CON=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019718205	0	34	-1.0	-49.26	308.23	2.63	-46.63
CC(C)CC(NC(=O)C1=CON=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019718205	1	34	-1.0	-49.25	308.17	2.61	-46.64
CC(C)CC(NC(=O)C1=NC(N)=NC(N(C)C)=N1)C1=NN=N[N-]1	REAL300019718206	0	42	-1.0	-48.82	351.23	4.92	-43.90
CC(C)CC(NC(=O)C1=NC(N)=NC(N(C)C)=N1)C1=N[N-]N=N1	REAL300019718206	1	42	-1.0	-48.84	351.18	4.90	-43.94
CC(C)CC(NC(=O)C=CCN1CCOCC1)C1=N[N-]N=N1	REAL300019718207	0	45	-1.0	-46.49	359.23	1.05	-45.44
CC(C)CC(NC(=O)C=CCN1CCOCC1)C1=NN=N[N-]1	REAL300019718207	1	45	-1.0	-46.52	359.29	1.06	-45.46
CC(C)CC(NC(=O)C1=CC(S(C)(=O)=O)=NC=C1Cl)C1=NN=N[N-]1	REAL300019718208	0	40	-1.0	-48.59	361.27	0.32	-48.27
CC(C)CC(NC(=O)C1=CC(S(C)(=O)=O)=NC=C1Cl)C1=N[N-]N=N1	REAL300019718208	1	40	-1.0	-48.61	361.21	0.30	-48.31
CC(C)CC(NC(=O)C1CCC2=NN=CN2C1)C1=N[N-]N=N1	REAL300019718209	0	41	-1.0	-48.88	330.79	4.99	-43.89
CC(C)CC(NC(=O)C1CCC2=NN=CN2C1)C1=NN=N[N-]1	REAL300019718209	1	41	-1.0	-48.93	330.83	5.00	-43.93
CC(C)CC(NC(=O)CN1C(=O)C(F)(F)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718210	0	44	-1.0	-58.84	375.27	3.90	-54.94
CC(C)CC(NC(=O)CN1C(=O)C(F)(F)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718210	1	44	-1.0	-58.85	375.33	3.91	-54.94
CC(C)CC(NC(=O)C1CCCCCC(=O)C1)C1=N[N-]N=N1	REAL300019718211	0	46	-1.0	-45.10	344.96	4.53	-40.57
CC(C)CC(NC(=O)C1CCCCCC(=O)C1)C1=NN=N[N-]1	REAL300019718211	1	46	-1.0	-45.10	345.02	4.54	-40.56
CC(C)CC(NC(=O)C1=CC=C(C(C)C)C=N1)C1=NN=N[N-]1	REAL300019718212	0	43	-1.0	-46.71	349.12	4.37	-42.34
CC(C)CC(NC(=O)C1=CC=C(C(C)C)C=N1)C1=N[N-]N=N1	REAL300019718212	1	43	-1.0	-46.69	349.06	4.36	-42.33
CC(C)CC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019718213	0	57	-1.0	-50.34	429.51	2.61	-47.73
CC(C)CC(NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019718213	1	57	-1.0	-50.35	429.57	2.63	-47.72
CC(C)CC(NC(=O)CNS(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL300019718214	0	41	-1.0	-48.09	347.35	-2.23	-50.32
CC(C)CC(NC(=O)CNS(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL300019718214	1	41	-1.0	-48.13	347.41	-2.22	-50.35
CC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(Br)S1	REAL300019718215	0	34	-1.0	-46.66	318.43	2.63	-44.03
CC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(Br)S1	REAL300019718215	1	34	-1.0	-46.64	318.49	2.64	-44.00
CC(C)CC(NC(=O)CC1=CN=CC=C1Cl)C1=NN=N[N-]1	REAL300019718216	0	37	-1.0	-46.22	325.60	3.52	-42.70
CC(C)CC(NC(=O)CC1=CN=CC=C1Cl)C1=N[N-]N=N1	REAL300019718216	1	37	-1.0	-46.21	325.53	3.50	-42.71
CC(C)CC(NC(=O)C1=CN=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL300019718217	0	38	-1.0	-45.07	322.13	0.25	-44.82
CC(C)CC(NC(=O)C1=CN=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL300019718217	1	38	-1.0	-45.06	322.18	0.27	-44.79
CC(C)CC(NC(=O)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019718218	0	43	-1.0	-44.12	380.04	6.05	-38.07
CC(C)CC(NC(=O)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300019718218	1	43	-1.0	-44.13	379.99	6.03	-38.10
CCOC(=O)C(C)(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718219	0	46	-1.0	-42.52	364.80	4.71	-37.81
CCOC(=O)C(C)(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718219	1	46	-1.0	-42.51	364.86	4.73	-37.78
CC(C)CC(NC(=O)C1=CC=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019718220	0	37	-1.0	-45.64	326.46	3.43	-42.21
CC(C)CC(NC(=O)C1=CC=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019718220	1	37	-1.0	-45.62	326.40	3.42	-42.20
CC(C)CC(NC(=O)C1=CC=CC2=C1NC(=O)N2)C1=NN=N[N-]1	REAL300019718221	0	39	-1.0	-52.95	325.11	1.20	-51.75
CC(C)CC(NC(=O)C1=CC=CC2=C1NC(=O)N2)C1=N[N-]N=N1	REAL300019718221	1	39	-1.0	-52.99	325.05	1.18	-51.81
CC(C)CC(NC(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=NN=N[N-]1	REAL300019718222	0	39	-1.0	-53.38	345.37	-2.00	-55.38
CC(C)CC(NC(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=N[N-]N=N1	REAL300019718222	1	39	-1.0	-53.37	345.31	-2.01	-55.38
CC1=CSC(NC2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=C2)=N1	REAL300019718223	0	46	-1.0	-47.85	388.44	5.22	-42.63
CC1=CSC(NC2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=C2)=N1	REAL300019718223	1	46	-1.0	-47.83	388.38	5.21	-42.62
CC(C)CC(NC(=O)C1=NC(N)=NC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL300019718224	0	47	-1.0	-47.88	383.28	2.80	-45.08
CC(C)CC(NC(=O)C1=NC(N)=NC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL300019718224	1	47	-1.0	-47.88	383.23	2.78	-45.10
CC(C)CC(NC(=O)C1=CN=C(OCC(F)F)C=N1)C1=NN=N[N-]1	REAL300019718225	0	40	-1.0	-45.64	350.58	0.37	-45.27
CC(C)CC(NC(=O)C1=CN=C(OCC(F)F)C=N1)C1=N[N-]N=N1	REAL300019718225	1	40	-1.0	-45.70	350.52	0.36	-45.34
CC(C)CC(NC(=O)C1=CN(C2CCOCC2)N=N1)C1=NN=N[N-]1	REAL300019718226	0	45	-1.0	-45.83	365.38	1.34	-44.49
CC(C)CC(NC(=O)C1=CN(C2CCOCC2)N=N1)C1=N[N-]N=N1	REAL300019718226	1	45	-1.0	-45.83	365.32	1.32	-44.51
CC(C)CC(NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C1=N[N-]N=N1	REAL300019718227	0	49	-1.0	-56.53	401.48	1.15	-55.38
CC(C)CC(NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C1=NN=N[N-]1	REAL300019718227	1	49	-1.0	-56.48	401.54	1.17	-55.31
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718228	0	54	-1.0	-60.55	432.96	4.59	-55.96
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718228	1	54	-1.0	-60.53	433.02	4.60	-55.93
CC(C)CC(NC(=O)C1(C2=CC=CC=C2)CCC(=O)NC1)C1=N[N-]N=N1	REAL300019718229	0	49	-1.0	-54.28	385.66	3.64	-50.64
CC(C)CC(NC(=O)C1(C2=CC=CC=C2)CCC(=O)NC1)C1=NN=N[N-]1	REAL300019718229	1	49	-1.0	-54.31	385.71	3.65	-50.66
CC(C)CC(NC(=O)C1=CN=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300019718230	0	42	-1.0	-46.81	353.31	4.63	-42.18
CC(C)CC(NC(=O)C1=CN=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300019718230	1	42	-1.0	-46.79	353.37	4.65	-42.14
CC(C)CC(NC(=O)C1=NC2=CC=CC=C2C=C1Cl)C1=NN=N[N-]1	REAL300019718231	0	40	-1.0	-49.31	347.46	5.15	-44.16
CC(C)CC(NC(=O)C1=NC2=CC=CC=C2C=C1Cl)C1=N[N-]N=N1	REAL300019718231	1	40	-1.0	-49.27	347.41	5.13	-44.14
CC(C)CC(NC(=O)C1=CC(C(F)(F)F)=NO1)C1=NN=N[N-]1	REAL300019718232	0	34	-1.0	-38.53	311.71	2.59	-35.94
CC(C)CC(NC(=O)C1=CC(C(F)(F)F)=NO1)C1=N[N-]N=N1	REAL300019718232	1	34	-1.0	-38.54	311.65	2.58	-35.96
CC(C)CC(NC(=O)C1=NC2=CN=CC=C2S1)C1=NN=N[N-]1	REAL300019718233	0	36	-1.0	-44.49	321.70	1.95	-42.54
CC(C)CC(NC(=O)C1=NC2=CN=CC=C2S1)C1=N[N-]N=N1	REAL300019718233	1	36	-1.0	-44.55	321.64	1.93	-42.62
CCOC(=O)C(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C(C)=O	REAL300019718234	0	45	-1.0	-50.41	374.68	4.02	-46.39
CCOC(=O)C(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C(C)=O	REAL300019718234	1	45	-1.0	-50.37	374.73	4.03	-46.34
CC(C)CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=N[N-]N=N1	REAL300019718235	0	52	0.0	-68.11	395.56	6.48	-61.63
CC(C)CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=NN=N[N-]1	REAL300019718235	1	52	0.0	-68.11	395.62	6.50	-61.61
COC1=C(Cl)C=C2NC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C2=C1	REAL300019718236	0	43	-1.0	-53.68	369.41	4.01	-49.67
COC1=C(Cl)C=C2NC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C2=C1	REAL300019718236	1	43	-1.0	-53.68	369.47	4.02	-49.66
CC(C)CC(NC(=O)C1CC(C2=CC=CC=C2)OC1=O)C1=N[N-]N=N1	REAL300019718237	0	45	-1.0	-42.27	372.16	6.10	-36.17
CC(C)CC(NC(=O)C1CC(C2=CC=CC=C2)OC1=O)C1=NN=N[N-]1	REAL300019718237	1	45	-1.0	-42.28	372.21	6.11	-36.17
CC1=C2SC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=CC2=CC=C1	REAL300019718238	0	41	-1.0	-47.16	350.94	6.22	-40.94
CC1=C2SC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=CC2=CC=C1	REAL300019718238	1	41	-1.0	-47.17	351.00	6.24	-40.93
CC(C)CC(NC(=O)C1=C(Br)N=NN1C)C1=NN=N[N-]1	REAL300019718239	0	34	-1.0	-37.83	313.20	0.93	-36.90
CC(C)CC(NC(=O)C1=C(Br)N=NN1C)C1=N[N-]N=N1	REAL300019718239	1	34	-1.0	-37.84	313.14	0.92	-36.92
CCC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1O	REAL300019718240	0	42	-1.0	-48.19	344.00	2.87	-45.32
CCC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1O	REAL300019718240	1	42	-1.0	-48.23	344.06	2.88	-45.35
CC(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019718241	0	51	0.0	-60.66	395.33	6.99	-53.67
CC(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019718241	1	51	0.0	-59.51	396.75	7.08	-52.43
CC(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019718241	1	51	0.0	-60.63	395.27	6.98	-53.65
CC(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019718241	1	51	0.0	-59.47	396.70	7.06	-52.41
CC(C)CC(NC(=O)C1=NC=C(Br)S1)C1=NN=N[N-]1	REAL300019718242	0	31	-1.0	-44.76	300.57	1.99	-42.77
CC(C)CC(NC(=O)C1=NC=C(Br)S1)C1=N[N-]N=N1	REAL300019718242	1	31	-1.0	-44.74	300.51	1.98	-42.76
CC(C)CC(NC(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=NN=N[N-]1	REAL300019718243	0	41	-1.0	-60.12	338.01	3.59	-56.53
CC(C)CC(NC(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=N[N-]N=N1	REAL300019718243	1	41	-1.0	-60.13	337.95	3.58	-56.55
CC(C)CC(NC(=O)CCOC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718244	0	48	-1.0	-46.43	392.01	6.75	-39.68
CC(C)CC(NC(=O)CCOC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718244	1	48	-1.0	-46.41	392.07	6.76	-39.65
COC(=O)C1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL300019718245	0	39	-1.0	-44.63	335.55	2.54	-42.09
COC(=O)C1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL300019718245	1	39	-1.0	-44.61	335.61	2.55	-42.06
CC(C)CC(NC(=O)C1=NC2=CC=CC=C2C=C1Br)C1=NN=N[N-]1	REAL300019718246	0	40	-1.0	-48.82	351.19	5.26	-43.56
CC(C)CC(NC(=O)C1=NC2=CC=CC=C2C=C1Br)C1=N[N-]N=N1	REAL300019718246	1	40	-1.0	-48.83	351.13	5.24	-43.59
CC(C)CC(NC(=O)[C@H](C)OC1=CC=C(Cl)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300019718247	0	48	-1.0	-49.53	401.07	8.07	-41.46
CC(C)CC(NC(=O)[C@H](C)OC1=CC=C(Cl)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300019718247	1	48	-1.0	-49.56	401.13	8.09	-41.47
CC(C)CC(NC(=O)C1=C2N=CN(C)C2=NC=C1)C1=NN=N[N-]1	REAL300019718248	0	40	-1.0	-58.28	334.73	4.82	-53.46
CC(C)CC(NC(=O)C1=C2N=CN(C)C2=NC=C1)C1=N[N-]N=N1	REAL300019718248	1	40	-1.0	-58.27	334.67	4.80	-53.47
CC(C)CC(NC(=O)C1=CC=C2NC(=O)CSC2=C1)C1=N[N-]N=N1	REAL300019718249	0	41	-1.0	-49.04	351.48	3.21	-45.83
CC(C)CC(NC(=O)C1=CC=C2NC(=O)CSC2=C1)C1=NN=N[N-]1	REAL300019718249	1	41	-1.0	-49.04	351.54	3.23	-45.81
CCCC1=NN=C(SCC(=O)NC(CC(C)C)C2=N[N-]N=N2)N1N	REAL300019718250	0	46	-1.0	-46.59	392.98	3.94	-42.65
CCCC1=NN=C(SCC(=O)NC(CC(C)C)C2=NN=N[N-]2)N1N	REAL300019718250	1	46	-1.0	-46.61	393.04	3.96	-42.65
CCCC1=NC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL300019718251	0	43	-1.0	-43.94	353.41	1.80	-42.14
CCCC1=NC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL300019718251	1	43	-1.0	-43.97	353.46	1.82	-42.15
CC(C)CC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1C)C1=N[N-]N=N1	REAL300019718252	0	58	-1.0	-45.10	434.37	5.49	-39.61
CC(C)CC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1C)C1=NN=N[N-]1	REAL300019718252	1	58	-1.0	-45.10	434.43	5.50	-39.60
CC1=CC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019718253	0	43	-1.0	-46.95	360.34	6.03	-40.92
CC1=CC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019718253	1	43	-1.0	-46.98	360.40	6.04	-40.94
CC(C)CC(NC(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=N[N-]N=N1	REAL300019718254	0	46	-1.0	-47.30	368.30	5.14	-42.16
CC(C)CC(NC(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=NN=N[N-]1	REAL300019718254	1	46	-1.0	-47.30	368.35	5.15	-42.15
CC1=CC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C(Cl)=N1	REAL300019718255	0	40	-1.0	-53.24	346.72	4.02	-49.22
CC1=CC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C(Cl)=N1	REAL300019718255	1	40	-1.0	-53.29	346.78	4.04	-49.25
CC(C)CC(NC(=O)C1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019718256	0	50	0.0	-63.71	366.95	5.18	-58.53
CC(C)CC(NC(=O)C1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019718256	1	50	0.0	-63.71	367.00	5.20	-58.51
CC(C)CC(NC(=O)C1CCOC(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300019718257	0	47	-1.0	-49.55	373.29	5.25	-44.30
CC(C)CC(NC(=O)C1CCOC(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300019718257	1	47	-1.0	-49.52	373.35	5.26	-44.26
CC(C)CC(NC(=O)C1CCC2=C(C1)N(C)N=N2)C1=N[N-]N=N1	REAL300019718258	0	44	-1.0	-46.98	351.33	2.94	-44.04
CC(C)CC(NC(=O)C1CCC2=C(C1)N(C)N=N2)C1=NN=N[N-]1	REAL300019718258	1	44	-1.0	-47.00	351.39	2.95	-44.05
COC1=CC=CC2=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)NN=C21	REAL300019718259	0	42	-1.0	-48.21	348.04	2.19	-46.02
COC1=CC=CC2=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)NN=C21	REAL300019718259	1	42	-1.0	-48.19	348.10	2.21	-45.98
CC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019718260	0	42	-2.0	-121.61	359.69	3.39	-118.22
CC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019718260	1	42	-2.0	-121.60	359.75	3.40	-118.20
CC(C)CC(NC(=O)C(F)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718261	0	52	-1.0	-49.77	413.96	4.19	-45.58
CC(C)CC(NC(=O)C(F)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718261	1	52	-1.0	-49.74	414.02	4.21	-45.53
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718262	0	37	-1.0	-39.77	334.86	3.91	-35.86
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718262	1	37	-1.0	-39.79	334.92	3.92	-35.87
CC1=NOC(CN2N=NC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=C2C)=C1	REAL300019718263	0	46	-1.0	-50.85	386.89	3.02	-47.83
CC1=NOC(CN2N=NC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=C2C)=C1	REAL300019718263	1	46	-1.0	-50.86	386.94	3.04	-47.82
CC(C)CC(NC(=O)C1=CN=C(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019718264	0	45	-1.0	-43.83	363.42	4.17	-39.66
CC(C)CC(NC(=O)C1=CN=C(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019718264	1	45	-1.0	-43.82	363.36	4.15	-39.67
CCOC(=O)C1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718265	0	44	-1.0	-46.61	368.11	5.76	-40.85
CCOC(=O)C1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718265	1	44	-1.0	-46.61	368.17	5.77	-40.84
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SC2=CC(F)=CC=C21	REAL300019718266	0	41	-1.0	-44.19	351.62	6.27	-37.92
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SC2=CC(F)=CC=C21	REAL300019718266	1	41	-1.0	-44.20	351.67	6.28	-37.92
CC(C)CC(NC(=O)C(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019718267	0	39	-1.0	-44.30	340.50	3.45	-40.85
CC(C)CC(NC(=O)C(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019718267	1	39	-1.0	-44.26	340.55	3.46	-40.80
CC(C)CC(NC(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019718268	0	43	-1.0	-44.45	358.68	4.93	-39.52
CC(C)CC(NC(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019718268	1	43	-1.0	-44.41	358.74	4.94	-39.47
CC(C)CC(NC(=O)C(C)CC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718269	0	49	-1.0	-47.74	391.42	6.47	-41.27
CC(C)CC(NC(=O)C(C)CC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718269	1	49	-1.0	-47.70	391.48	6.48	-41.22
CC(C)CC(NC(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=N[N-]N=N1	REAL300019718270	0	47	-1.0	-53.39	385.82	6.23	-47.16
CC(C)CC(NC(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=NN=N[N-]1	REAL300019718270	1	47	-1.0	-53.40	385.89	6.24	-47.16
CC(=O)C1=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C2=CC=C(C)C=C2O1	REAL300019718271	0	49	-1.0	-49.82	404.83	6.45	-43.37
CC(=O)C1=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C2=CC=C(C)C=C2O1	REAL300019718271	1	49	-1.0	-49.74	404.89	6.47	-43.27
CC(C)CC(NC(=O)CCSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019718272	0	42	-1.0	-43.56	373.05	6.61	-36.95
CC(C)CC(NC(=O)CCSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019718272	1	42	-1.0	-43.54	373.11	6.62	-36.92
CC(C)CC(NC(=O)C1=CC=C(N(C)C(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL300019718273	0	52	-1.0	-49.67	422.67	5.58	-44.09
CC(C)CC(NC(=O)C1=CC=C(N(C)C(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL300019718273	1	52	-1.0	-49.71	422.73	5.60	-44.11
CC(C)CC(NC(=O)C1=CN=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019718274	0	37	-1.0	-43.46	325.42	3.36	-40.10
CC(C)CC(NC(=O)C1=CN=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019718274	1	37	-1.0	-43.42	325.36	3.35	-40.07
CC(C)CC(NC(=O)COCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019718275	0	41	-1.0	-51.15	345.43	3.51	-47.64
CC(C)CC(NC(=O)COCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019718275	1	41	-1.0	-51.17	345.49	3.53	-47.64
CC(C)CC(NC(=O)[C@H](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718276	0	44	-1.0	-45.20	352.83	6.15	-39.05
CC(C)CC(NC(=O)[C@H](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718276	1	44	-1.0	-45.21	352.89	6.16	-39.05
CC(C)CC(NC(=O)C(O)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300019718277	0	39	-1.0	-44.44	341.54	3.60	-40.84
CC(C)CC(NC(=O)C(O)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300019718277	1	39	-1.0	-44.44	341.61	3.62	-40.82
CC(C)CC(NC(=O)CC1(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL300019718278	0	38	-1.0	-49.20	321.42	4.18	-45.02
CC(C)CC(NC(=O)CC1(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL300019718278	1	38	-1.0	-49.19	321.48	4.20	-44.99
CC(C)CC(NC(=O)COCC1=CC=CN=C1)C1=NN=N[N-]1	REAL300019718279	0	41	-1.0	-52.51	345.49	3.45	-49.06
CC(C)CC(NC(=O)COCC1=CC=CN=C1)C1=N[N-]N=N1	REAL300019718279	1	41	-1.0	-52.46	345.44	3.44	-49.02
CC(C)CC(NC(=O)C1=CC(Cl)=NC=C1Br)C1=NN=N[N-]1	REAL300019718280	0	34	-1.0	-41.45	320.09	3.45	-38.00
CC(C)CC(NC(=O)C1=CC(Cl)=NC=C1Br)C1=N[N-]N=N1	REAL300019718280	1	34	-1.0	-41.44	320.03	3.44	-38.00
CC(C)CC(NC(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=N[N-]N=N1	REAL300019718281	0	36	-1.0	-43.29	332.67	3.83	-39.46
CC(C)CC(NC(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=NN=N[N-]1	REAL300019718281	1	36	-1.0	-43.25	332.73	3.84	-39.41
COC(C)(C)C1=NC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019718282	0	47	-1.0	-44.87	384.53	2.86	-42.01
COC(C)(C)C1=NC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019718282	1	47	-1.0	-44.88	384.59	2.87	-42.01
CC1=CC(C(F)(F)F)=NN1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718283	0	41	-1.0	-47.29	358.65	3.71	-43.58
CC1=CC(C(F)(F)F)=NN1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718283	1	41	-1.0	-47.31	358.71	3.73	-43.58
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718284	0	41	-1.0	-46.55	374.75	4.22	-42.33
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718284	1	41	-1.0	-46.57	374.81	4.24	-42.33
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300019718285	0	42	-1.0	-53.17	349.56	6.21	-46.96
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300019718285	1	42	-1.0	-53.16	349.62	6.23	-46.93
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019718286	0	42	-1.0	-45.12	365.39	6.82	-38.30
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019718286	1	42	-1.0	-45.11	365.44	6.83	-38.28
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019718287	0	42	-1.0	-47.83	348.50	4.06	-43.77
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019718287	1	42	-1.0	-47.81	348.44	4.04	-43.77
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)C1=N[N-]N=N1	REAL300019718288	0	41	-1.0	-46.00	338.90	4.42	-41.58
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)C1=NN=N[N-]1	REAL300019718288	1	41	-1.0	-46.01	338.96	4.43	-41.58
CC(C)CC(NC(=O)C1=NC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718289	0	39	-1.0	-53.40	329.93	3.69	-49.71
CC(C)CC(NC(=O)C1=NC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718289	1	39	-1.0	-53.37	329.87	3.67	-49.70
CC(C)CC(NC(=O)C(C)N1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019718290	0	44	-1.0	-47.04	365.90	3.79	-43.25
CC(C)CC(NC(=O)C(C)N1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019718290	1	44	-1.0	-47.04	365.96	3.81	-43.23
CC(C)CC(NC(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=N[N-]N=N1	REAL300019718291	0	49	-1.0	-47.88	392.85	4.64	-43.24
CC(C)CC(NC(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=NN=N[N-]1	REAL300019718291	1	49	-1.0	-47.87	392.91	4.65	-43.22
CC(C)CC(NC(=O)C1CCC2=NN=NN2CC1)C1=N[N-]N=N1	REAL300019718292	0	43	-1.0	-56.79	340.62	2.61	-54.18
CC(C)CC(NC(=O)C1CCC2=NN=NN2CC1)C1=NN=N[N-]1	REAL300019718292	1	43	-1.0	-56.86	340.71	2.63	-54.23
CC(C)CC(NC(=O)C1=CN=C(C2(C)OCCO2)S1)C1=NN=N[N-]1	REAL300019718293	0	43	-1.0	-47.91	367.93	1.66	-46.25
CC(C)CC(NC(=O)C1=CN=C(C2(C)OCCO2)S1)C1=N[N-]N=N1	REAL300019718293	1	43	-1.0	-47.89	367.87	1.65	-46.24
CC(C)CC(NC(=O)CCCC(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718294	0	48	-1.0	-48.88	387.62	4.08	-44.80
CC(C)CC(NC(=O)CCCC(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718294	1	48	-1.0	-48.85	387.68	4.10	-44.75
CC(C)CC(NC(=O)C1CN(C(=O)C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019718295	0	52	-1.0	-50.67	406.46	4.98	-45.69
CC(C)CC(NC(=O)C1CN(C(=O)C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019718295	1	52	-1.0	-50.73	406.52	4.99	-45.74
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718296	0	46	-1.0	-51.41	373.54	5.48	-45.93
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718296	1	46	-1.0	-51.38	373.59	5.50	-45.88
CC(C)CC(NC(=O)C1=CC=C(I)C=N1)C1=NN=N[N-]1	REAL300019718297	0	34	-1.0	-43.19	316.58	3.54	-39.65
CC(C)CC(NC(=O)C1=CC=C(I)C=N1)C1=N[N-]N=N1	REAL300019718297	1	34	-1.0	-43.19	316.53	3.53	-39.66
CC(C)CC(NC(=O)C1=CC=C(C(C)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019718298	0	44	-1.0	-46.34	366.51	6.36	-39.98
CC(C)CC(NC(=O)C1=CC=C(C(C)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019718298	1	44	-1.0	-46.32	366.56	6.38	-39.94
CC(C)CC(NC(=O)C1CCN2C=CN=C2C1)C1=N[N-]N=N1	REAL300019718299	0	42	-1.0	-49.59	336.27	4.34	-45.25
CC(C)CC(NC(=O)C1CCN2C=CN=C2C1)C1=NN=N[N-]1	REAL300019718299	1	42	-1.0	-49.59	336.33	4.35	-45.24
CC1=NC2=CC=CC=C2C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718300	0	43	-1.0	-47.37	348.71	5.30	-42.07
CC1=NC2=CC=CC=C2C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718300	1	43	-1.0	-47.37	348.77	5.32	-42.05
CC1=CC=C(OC2=CC=CC=C2CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718301	0	52	-1.0	-49.17	426.00	8.43	-40.74
CC1=CC=C(OC2=CC=CC=C2CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718301	1	52	-1.0	-49.14	426.06	8.44	-40.70
CC(C)CC(NC(=O)C1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=N[N-]N=N1	REAL300019718302	0	48	-1.0	-52.76	405.21	4.16	-48.60
CC(C)CC(NC(=O)C1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=NN=N[N-]1	REAL300019718302	1	48	-1.0	-52.76	405.27	4.18	-48.58
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019718303	0	45	-1.0	-54.60	377.39	7.01	-47.59
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019718303	1	45	-1.0	-54.63	377.44	7.02	-47.61
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019718304	0	45	-1.0	-46.72	382.79	7.22	-39.50
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019718304	1	45	-1.0	-46.71	382.85	7.23	-39.48
CC(C)CC(NC(=O)C(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718305	0	46	-1.0	-51.78	362.32	5.48	-46.30
CC(C)CC(NC(=O)C(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718305	1	46	-1.0	-51.80	362.39	5.50	-46.30
CC(C)CC(NC(=O)CC1CS(=O)(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300019718306	0	46	-1.0	-57.48	387.36	2.49	-54.99
CC(C)CC(NC(=O)CC1CS(=O)(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300019718306	1	46	-1.0	-57.46	387.42	2.50	-54.96
CC(C)CC(NC(=O)COCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019718307	0	42	-1.0	-49.37	367.33	5.73	-43.64
CC(C)CC(NC(=O)COCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019718307	1	42	-1.0	-49.42	367.39	5.75	-43.67
CC(C)CC(NC(=O)C(C)CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019718308	0	44	-1.0	-49.19	356.29	3.90	-45.29
CC(C)CC(NC(=O)C(C)CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019718308	1	44	-1.0	-49.18	356.22	3.89	-45.29
CC1=CC=C(OC2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)N=C2)C=C1	REAL300019718309	0	48	-1.0	-45.94	398.89	5.96	-39.98
CC1=CC=C(OC2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)N=C2)C=C1	REAL300019718309	1	48	-1.0	-45.95	398.83	5.94	-40.01
CC(C)CC(NC(=O)C1=CC(Br)=CO1)C1=N[N-]N=N1	REAL300019718310	0	32	-1.0	-43.78	297.39	2.84	-40.94
CC(C)CC(NC(=O)C1=CC(Br)=CO1)C1=NN=N[N-]1	REAL300019718310	1	32	-1.0	-43.85	297.44	2.86	-40.99
CC(C)CC(NC(=O)C1=CC=C(NC2=NC=CS2)C=C1F)C1=NN=N[N-]1	REAL300019718311	0	43	-1.0	-51.35	371.71	4.78	-46.57
CC(C)CC(NC(=O)C1=CC=C(NC2=NC=CS2)C=C1F)C1=N[N-]N=N1	REAL300019718311	1	43	-1.0	-51.36	371.65	4.76	-46.60
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2)C=N1)C1=NN=N[N-]1	REAL300019718312	0	45	-1.0	-45.80	385.61	5.43	-40.37
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=CC(F)=C2)C=N1)C1=N[N-]N=N1	REAL300019718312	1	45	-1.0	-45.81	385.55	5.41	-40.40
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)N1NC(N)=O	REAL300019718313	0	45	-1.0	-51.55	363.75	0.52	-51.03
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)N1NC(N)=O	REAL300019718313	1	45	-1.0	-51.56	363.81	0.53	-51.03
CCON1CCC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL300019718314	0	50	-1.0	-46.93	388.15	3.86	-43.07
CCON1CCC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL300019718314	1	50	-1.0	-46.96	388.21	3.87	-43.09
CC1=CC=CC=C1OC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1	REAL300019718315	0	48	-1.0	-46.10	398.37	6.00	-40.10
CC1=CC=CC=C1OC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1	REAL300019718315	1	48	-1.0	-46.10	398.31	5.98	-40.12
CC(C)CC(NC(=O)CC1=CC=CC=C1OC1CCCC1)C1=N[N-]N=N1	REAL300019718316	0	52	-1.0	-47.35	410.10	7.16	-40.19
CC(C)CC(NC(=O)CC1=CC=CC=C1OC1CCCC1)C1=NN=N[N-]1	REAL300019718316	1	52	-1.0	-47.32	410.16	7.17	-40.15
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL300019718317	0	45	-1.0	-45.45	395.93	5.88	-39.57
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL300019718317	1	45	-1.0	-45.40	395.87	5.86	-39.54
COC1=CC(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300019718318	0	46	-1.0	-46.73	392.91	5.75	-40.98
COC1=CC(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300019718318	1	46	-1.0	-46.75	392.97	5.77	-40.98
CC1=CC=CC(OC2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)N=C2)=C1	REAL300019718319	0	48	-1.0	-44.84	398.82	6.05	-38.79
CC1=CC=CC(OC2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)N=C2)=C1	REAL300019718319	1	48	-1.0	-44.86	398.76	6.03	-38.83
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC(C(=O)OC(C)(C)C)=C1	REAL300019718320	0	53	-1.0	-45.50	422.55	7.54	-37.96
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC(C(=O)OC(C)(C)C)=C1	REAL300019718320	1	53	-1.0	-45.50	422.60	7.55	-37.95
CC(C)CC(NC(=O)C=CC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL300019718321	0	46	-1.0	-46.50	375.17	7.51	-38.99
CC(C)CC(NC(=O)C=CC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL300019718321	1	46	-1.0	-46.53	375.23	7.54	-38.99
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019718322	0	42	-1.0	-46.43	365.35	6.84	-39.59
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019718322	1	42	-1.0	-46.44	365.41	6.85	-39.59
CC1=CC(Br)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019718323	0	35	-1.0	-46.20	323.09	4.59	-41.61
CC1=CC(Br)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019718323	1	35	-1.0	-46.20	323.15	4.60	-41.60
COC(=O)C1=C(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)OC=N1	REAL300019718324	0	43	-1.0	-49.28	366.06	1.00	-48.28
COC(=O)C1=C(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)OC=N1	REAL300019718324	1	43	-1.0	-49.26	366.01	0.99	-48.27
CC(C)CC(NC(=O)C1=C(Br)N=C2CCCCN21)C1=N[N-]N=N1	REAL300019718325	0	42	-1.0	-50.33	360.58	4.66	-45.67
CC(C)CC(NC(=O)C1=C(Br)N=C2CCCCN21)C1=NN=N[N-]1	REAL300019718325	1	42	-1.0	-50.38	360.64	4.68	-45.70
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718326	0	46	-1.0	-45.03	384.59	5.73	-39.30
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718326	1	46	-1.0	-45.00	384.65	5.75	-39.25
CC(C)CC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019718327	0	51	0.0	-58.04	383.69	6.00	-52.04
CC(C)CC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019718327	1	51	0.0	-58.07	383.63	5.98	-52.09
CC(C)CC(NC(=O)CCCS(N)(=O)=O)C1=N[N-]N=N1	REAL300019718328	0	39	-1.0	-58.58	334.48	-2.38	-60.96
CC(C)CC(NC(=O)CCCS(N)(=O)=O)C1=NN=N[N-]1	REAL300019718328	1	39	-1.0	-58.56	334.54	-2.37	-60.93
COC1=CC=C(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300019718329	0	48	-1.0	-56.32	408.38	0.12	-56.20
COC1=CC=C(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300019718329	1	48	-1.0	-56.37	408.44	0.13	-56.24
CC(C)CC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=N[N-]N=N1	REAL300019718330	0	40	-2.0	-114.85	350.95	-1.34	-116.19
CC(C)CC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=NN=N[N-]1	REAL300019718330	1	40	-2.0	-114.86	351.01	-1.33	-116.19
CC(C)CC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1O)C1=N[N-]N=N1	REAL300019718330	1	41	-1.0	-51.75	354.51	-2.34	-54.09
CC(C)CC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1O)C1=NN=N[N-]1	REAL300019718330	1	41	-1.0	-51.72	354.56	-2.32	-54.04
CC(C)CC(NC(=O)COC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019718331	0	44	-1.0	-53.84	379.21	-0.27	-54.11
CC(C)CC(NC(=O)COC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019718331	1	44	-1.0	-53.89	379.27	-0.24	-54.13
CC(C)CC(NC(=O)CSC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019718332	0	44	-1.0	-51.64	388.81	0.31	-51.33
CC(C)CC(NC(=O)CSC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019718332	1	44	-1.0	-51.61	388.87	0.33	-51.28
CC(C)CC(NC(=O)C1=CC=C(S(N)(=O)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL300019718333	0	40	-1.0	-49.27	358.66	-0.29	-49.56
CC(C)CC(NC(=O)C1=CC=C(S(N)(=O)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL300019718333	1	40	-1.0	-49.26	358.71	-0.28	-49.54
CC(C)CC(NC(=O)C1=CN=C2C=CC=NN12)C1=NN=N[N-]1	REAL300019718334	0	37	-1.0	-54.68	314.48	3.12	-51.56
CC(C)CC(NC(=O)C1=CN=C2C=CC=NN12)C1=N[N-]N=N1	REAL300019718334	1	37	-1.0	-54.67	314.42	3.11	-51.56
CC(C)CC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(O)=C1)C1=N[N-]N=N1	REAL300019718335	0	43	-1.0	-47.28	374.40	3.65	-43.63
CC(C)CC(NC(=O)C=CC1=CC=C(C(F)(F)F)C(O)=C1)C1=NN=N[N-]1	REAL300019718335	1	43	-1.0	-47.30	374.46	3.65	-43.65
CC(C)CC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019718336	0	55	0.0	-63.84	407.10	3.77	-60.07
CC(C)CC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019718336	1	55	0.0	-63.81	407.16	3.78	-60.03
CCOC(CN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1)OCC	REAL300019718337	0	52	-1.0	-48.19	419.85	3.78	-44.41
CCOC(CN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1)OCC	REAL300019718337	1	52	-1.0	-48.19	419.80	3.76	-44.43
CCC1(CN2C=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)N=N2)COC1	REAL300019718338	0	48	-1.0	-48.57	385.38	2.05	-46.52
CCC1(CN2C=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)N=N2)COC1	REAL300019718338	1	48	-1.0	-48.58	385.33	2.03	-46.55
CC(C)CC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019718339	0	58	0.0	-60.81	423.43	4.18	-56.63
CC(C)CC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019718339	1	58	0.0	-60.79	423.49	4.19	-56.60
CC(C)CC(NC(=O)C1=CN=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019718340	0	36	-1.0	-41.80	323.35	1.59	-40.21
CC(C)CC(NC(=O)C1=CN=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019718340	1	36	-1.0	-41.80	323.29	1.58	-40.22
CC(C)CC(NC(=O)C1CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718341	0	49	-1.0	-62.30	386.60	4.25	-58.05
CC(C)CC(NC(=O)C1CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718341	1	49	-1.0	-62.30	386.66	4.26	-58.04
CNC1=NC=NC2=CC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=CC=C21	REAL300019718342	0	44	-1.0	-52.90	361.37	4.39	-48.51
CNC1=NC=NC2=CC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=CC=C21	REAL300019718342	1	44	-1.0	-52.87	361.31	4.37	-48.50
CC(C)CC(NC(=O)C1=CC(F)=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL300019718343	0	48	-1.0	-44.80	381.88	3.05	-41.75
CC(C)CC(NC(=O)C1=CC(F)=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL300019718343	1	48	-1.0	-44.80	381.93	3.07	-41.73
CC(C)CC(NC(=O)C1=NN(C)C(Br)=C1)C1=NN=N[N-]1	REAL300019718344	0	35	-1.0	-46.21	317.42	2.44	-43.77
CC(C)CC(NC(=O)C1=NN(C)C(Br)=C1)C1=N[N-]N=N1	REAL300019718344	1	35	-1.0	-46.20	317.36	2.43	-43.77
COC1=CC(Cl)=C(F)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718345	0	39	-1.0	-48.71	341.68	4.03	-44.68
COC1=CC(Cl)=C(F)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718345	1	39	-1.0	-48.72	341.74	4.05	-44.67
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718346	0	45	-1.0	-50.07	376.97	5.98	-44.09
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718346	1	45	-1.0	-50.06	377.03	6.00	-44.06
CC(C)CC(NC(=O)[C@@H](C)N1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300019718347	0	45	-1.0	-57.94	374.91	5.26	-52.68
CC(C)CC(NC(=O)[C@@H](C)N1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300019718347	1	45	-1.0	-57.96	374.97	5.28	-52.68
CC(C)CC(NC(=O)CC(C)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019718348	0	44	-1.0	-46.88	356.47	4.00	-42.88
CC(C)CC(NC(=O)CC(C)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019718348	1	44	-1.0	-46.89	356.41	3.98	-42.91
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C2=CC=CC=C12	REAL300019718349	0	44	-1.0	-51.26	350.68	7.02	-44.24
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C2=CC=CC=C12	REAL300019718349	1	44	-1.0	-51.30	350.63	7.00	-44.30
CC(C)CC(NC(=O)C(C)CC1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019718350	0	48	-1.0	-44.55	398.93	5.90	-38.65
CC(C)CC(NC(=O)C(C)CC1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019718350	1	48	-1.0	-44.54	398.99	5.93	-38.61
CC(C)CC(NC(=O)C1CC1(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718351	0	42	-1.0	-51.18	347.86	6.21	-44.97
CC(C)CC(NC(=O)C1CC1(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718351	1	42	-1.0	-51.15	347.92	6.22	-44.93
CC(C)CC(NC(=O)C1=C(Br)N=C2CCCN21)C1=N[N-]N=N1	REAL300019718352	0	39	-1.0	-51.47	336.03	4.24	-47.23
CC(C)CC(NC(=O)C1=C(Br)N=C2CCCN21)C1=NN=N[N-]1	REAL300019718352	1	39	-1.0	-51.47	336.09	4.25	-47.22
CC1=CC=CC2=C1OC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C2	REAL300019718353	0	43	-1.0	-49.93	351.67	5.73	-44.20
CC1=CC=CC2=C1OC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C2	REAL300019718353	1	43	-1.0	-49.91	351.72	5.74	-44.17
CC(C)CC(NC(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=NN=N[N-]1	REAL300019718354	0	42	-1.0	-48.40	360.43	3.82	-44.58
CC(C)CC(NC(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=N[N-]N=N1	REAL300019718354	1	42	-1.0	-48.40	360.37	3.81	-44.59
CC(C)CC(NC(=O)C1CCC2=NN=C(C3=CC=CC=C3)N2C1)C1=N[N-]N=N1	REAL300019718355	0	51	-1.0	-48.37	404.97	7.44	-40.93
CC(C)CC(NC(=O)C1CCC2=NN=C(C3=CC=CC=C3)N2C1)C1=NN=N[N-]1	REAL300019718355	1	51	-1.0	-48.34	405.03	7.45	-40.89
CC(C)CC(NC(=O)CS(=O)(=O)C1CC1)C1=N[N-]N=N1	REAL300019718356	0	38	-1.0	-60.35	328.31	0.61	-59.74
CC(C)CC(NC(=O)CS(=O)(=O)C1CC1)C1=NN=N[N-]1	REAL300019718356	1	38	-1.0	-60.34	328.37	0.62	-59.72
CC(C)CC(NC(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL300019718357	0	42	-1.0	-49.58	364.87	5.25	-44.33
CC(C)CC(NC(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL300019718357	1	42	-1.0	-49.60	364.93	5.27	-44.33
CC(C)CC1=CNC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718358	0	45	-1.0	-48.23	360.78	4.60	-43.63
CC(C)CC1=CNC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718358	1	45	-1.0	-48.26	360.84	4.61	-43.65
CC1=CC=CC(C2=NN=C3CCC(C(=O)NC(CC(C)C)C4=N[N-]N=N4)CN32)=C1	REAL300019718359	0	54	-1.0	-48.38	426.34	8.12	-40.26
CC1=CC=CC(C2=NN=C3CCC(C(=O)NC(CC(C)C)C4=NN=N[N-]4)CN32)=C1	REAL300019718359	1	54	-1.0	-48.37	426.39	8.13	-40.24
CC(C)CC(NC(=O)COC1=CC=CC(Br)=C1C#N)C1=N[N-]N=N1	REAL300019718360	0	40	-1.0	-59.02	364.90	5.68	-53.34
CC(C)CC(NC(=O)COC1=CC=CC(Br)=C1C#N)C1=NN=N[N-]1	REAL300019718360	1	40	-1.0	-59.02	364.96	5.69	-53.33
CC(C)CC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=NN=N[N-]1	REAL300019718361	0	45	-1.0	-44.78	371.54	5.47	-39.31
CC(C)CC(NC(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=N[N-]N=N1	REAL300019718361	1	45	-1.0	-44.76	371.48	5.46	-39.30
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300019718362	0	43	-1.0	-50.83	355.10	3.35	-47.48
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300019718362	1	43	-1.0	-50.82	355.16	3.37	-47.45
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718363	0	52	-1.0	-49.08	401.61	6.28	-42.80
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718363	1	52	-1.0	-49.06	401.66	6.30	-42.76
CC(C)CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019718364	0	47	0.0	-71.95	376.06	4.08	-67.87
CC(C)CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL300019718364	1	47	0.0	-71.92	376.00	4.07	-67.85
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718365	0	45	-1.0	-45.21	382.55	6.94	-38.27
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718365	1	45	-1.0	-45.17	382.61	6.95	-38.22
CCC(O)(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019718366	0	48	-1.0	-44.87	372.39	4.53	-40.34
CCC(O)(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019718366	1	48	-1.0	-44.87	372.45	4.54	-40.33
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)NC2=C(Cl)C=CC=C12	REAL300019718367	0	42	-1.0	-44.92	359.61	5.29	-39.63
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)NC2=C(Cl)C=CC=C12	REAL300019718367	1	42	-1.0	-44.94	359.67	5.31	-39.63
CC(=O)C1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019718368	0	36	-1.0	-43.19	323.54	2.03	-41.16
CC(=O)C1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019718368	1	36	-1.0	-43.22	323.60	2.05	-41.17
CC(C)CC(NC(=O)C1=C(Br)C=NN1C)C1=NN=N[N-]1	REAL300019718369	0	35	-1.0	-40.24	318.43	2.42	-37.82
CC(C)CC(NC(=O)C1=C(Br)C=NN1C)C1=N[N-]N=N1	REAL300019718369	1	35	-1.0	-40.24	318.37	2.41	-37.83
CC1=CC=CC(CS(=O)(=O)CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718370	0	50	-1.0	-51.39	422.49	4.04	-47.35
CC1=CC=CC(CS(=O)(=O)CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718370	1	50	-1.0	-51.35	422.55	4.05	-47.30
CC(C)CC(NC(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=NN=N[N-]1	REAL300019718371	0	43	-1.0	-51.97	354.40	5.64	-46.33
CC(C)CC(NC(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=N[N-]N=N1	REAL300019718371	1	43	-1.0	-51.99	354.34	5.63	-46.36
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019718372	0	42	-1.0	-43.89	375.96	7.15	-36.74
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019718372	1	42	-1.0	-43.89	376.01	7.17	-36.72
CC(C)CC(NC(=O)C1=NN2CCCCC2=C1)C1=N[N-]N=N1	REAL300019718373	0	42	-1.0	-50.58	338.88	3.62	-46.96
CC(C)CC(NC(=O)C1=NN2CCCCC2=C1)C1=NN=N[N-]1	REAL300019718373	1	42	-1.0	-50.59	338.94	3.64	-46.95
CCCCCCOC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718374	0	50	-1.0	-48.29	396.47	6.01	-42.28
CCCCCCOC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718374	1	50	-1.0	-48.30	396.53	6.03	-42.27
CC(C)CC(NC(=O)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL300019718375	0	52	-1.0	-45.03	428.35	6.59	-38.44
CC(C)CC(NC(=O)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL300019718375	1	52	-1.0	-45.06	428.41	6.60	-38.46
CC(C)CC(NC(=O)CC1CSC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300019718376	0	44	-1.0	-53.33	368.82	6.16	-47.17
CC(C)CC(NC(=O)CC1CSC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300019718376	1	44	-1.0	-53.29	368.88	6.17	-47.12
CC(C)CC(NC(=O)C1=NC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL300019718377	0	39	-1.0	-47.28	329.85	2.87	-44.41
CC(C)CC(NC(=O)C1=NC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL300019718377	1	39	-1.0	-47.29	329.80	2.86	-44.43
CC(C)CC(NC(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718378	0	45	-1.0	-48.37	356.23	6.61	-41.76
CC(C)CC(NC(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718378	1	45	-1.0	-48.39	356.29	6.62	-41.77
CC1=C(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)SC=N1	REAL300019718379	0	40	-1.0	-45.21	341.04	3.36	-41.85
CC1=C(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)SC=N1	REAL300019718379	1	40	-1.0	-45.26	341.10	3.38	-41.88
CC(C)CC(NC(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019718380	0	48	-1.0	-50.48	394.30	8.61	-41.87
CC(C)CC(NC(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019718380	1	48	-1.0	-50.49	394.35	8.63	-41.86
CC(C)CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019718381	0	54	0.0	-65.08	411.37	7.96	-57.12
CC(C)CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019718381	1	54	0.0	-65.06	411.42	7.98	-57.08
CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC(C)C)=C1)C1=N[N-]N=N1	REAL300019718382	0	47	-1.0	-44.71	386.74	6.45	-38.26
CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])C(OC(C)C)=C1)C1=NN=N[N-]1	REAL300019718382	1	47	-1.0	-44.70	386.80	6.47	-38.23
CC1=CC=CC=C1N1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=N1	REAL300019718383	0	44	-1.0	-46.91	369.42	4.81	-42.10
CC1=CC=CC=C1N1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=N1	REAL300019718383	1	44	-1.0	-46.95	369.36	4.79	-42.16
CCOC1=CC=C(CC(C)C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718384	0	51	-1.0	-45.59	404.29	6.33	-39.26
CCOC1=CC=C(CC(C)C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718384	1	51	-1.0	-45.55	404.35	6.36	-39.19
CC(C)CC(NC(=O)C1CCC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300019718385	0	43	-1.0	-51.55	347.99	5.87	-45.68
CC(C)CC(NC(=O)C1CCC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300019718385	1	43	-1.0	-51.54	348.05	5.88	-45.66
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300019718386	0	44	-1.0	-48.66	372.26	6.86	-41.80
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300019718386	1	44	-1.0	-48.68	372.31	6.87	-41.81
CC(C)CC(NC(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718387	0	49	-1.0	-47.62	380.55	5.91	-41.71
CC(C)CC(NC(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718387	1	49	-1.0	-47.65	380.61	5.92	-41.73
CCCN1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1=O	REAL300019718388	0	45	-1.0	-44.62	362.03	3.49	-41.13
CCCN1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1=O	REAL300019718388	1	45	-1.0	-44.67	362.09	3.51	-41.16
CC(C)CC(NC(=O)C(C)OC1=CC=CC=N1)C1=NN=N[N-]1	REAL300019718389	0	41	-1.0	-50.53	342.24	3.06	-47.47
CC(C)CC(NC(=O)C(C)OC1=CC=CC=N1)C1=N[N-]N=N1	REAL300019718389	1	41	-1.0	-50.52	342.18	3.04	-47.48
CC(C)CC(NC(=O)C1=NN(C)C2=C1CCCC2)C1=N[N-]N=N1	REAL300019718390	0	45	-1.0	-52.68	357.06	4.30	-48.38
CC(C)CC(NC(=O)C1=NN(C)C2=C1CCCC2)C1=NN=N[N-]1	REAL300019718390	1	45	-1.0	-52.69	357.12	4.32	-48.37
CCC(CC)OC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718391	0	51	-1.0	-46.59	396.38	6.45	-40.14
CCC(CC)OC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718391	1	51	-1.0	-46.57	396.44	6.47	-40.10
CC(C)CC(NC(=O)CC1=CC=CC=C1OC1CCOC1)C1=N[N-]N=N1	REAL300019718392	0	50	-1.0	-50.68	400.27	4.54	-46.14
CC(C)CC(NC(=O)CC1=CC=CC=C1OC1CCOC1)C1=NN=N[N-]1	REAL300019718392	1	50	-1.0	-50.68	400.33	4.55	-46.13
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718393	0	46	-1.0	-48.44	393.39	5.72	-42.72
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718393	1	46	-1.0	-48.41	393.45	5.74	-42.67
CC(C)CC(NC(=O)CC1=CC=CC=C1S(=O)(=O)C(F)F)C1=N[N-]N=N1	REAL300019718394	0	44	-1.0	-52.69	380.92	3.05	-49.64
CC(C)CC(NC(=O)CC1=CC=CC=C1S(=O)(=O)C(F)F)C1=NN=N[N-]1	REAL300019718394	1	44	-1.0	-52.67	380.98	3.06	-49.61
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300019718395	0	43	-1.0	-52.11	364.87	6.57	-45.54
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300019718395	1	43	-1.0	-52.11	364.92	6.58	-45.53
COC(=O)[C@@H]1CC[C@H](C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL300019718396	0	44	-1.0	-51.95	354.34	4.38	-47.57
COC(=O)[C@@H]1CC[C@H](C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019718396	1	44	-1.0	-51.94	354.40	4.40	-47.54
CC(C)CC(NC(=O)C1=CSC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL300019718397	0	47	-1.0	-46.46	383.45	5.10	-41.36
CC(C)CC(NC(=O)C1=CSC(C2CCCCC2)=N1)C1=NN=N[N-]1	REAL300019718397	1	47	-1.0	-46.46	383.50	5.11	-41.35
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019718398	0	42	-1.0	-46.47	360.79	6.73	-39.74
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019718398	1	42	-1.0	-46.44	360.84	6.75	-39.69
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718399	0	46	-1.0	-50.16	372.42	5.53	-44.63
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718399	1	46	-1.0	-50.07	372.48	5.55	-44.52
CCC1=CC=CC=C1N1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=N1	REAL300019718400	0	47	-1.0	-46.72	383.33	5.39	-41.33
CCC1=CC=CC=C1N1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=N1	REAL300019718400	1	47	-1.0	-46.76	383.27	5.37	-41.39
CC1=CC(Cl)=NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718401	0	37	-1.0	-42.22	319.46	3.57	-38.65
CC1=CC(Cl)=NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718401	1	37	-1.0	-42.23	319.52	3.58	-38.65
CC(C)CC(NC(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019718402	0	41	-1.0	-44.60	351.94	3.58	-41.02
CC(C)CC(NC(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019718402	1	41	-1.0	-44.62	352.00	3.59	-41.03
CC(C)CC(NC(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=NN=N[N-]1	REAL300019718403	0	40	-1.0	-46.63	343.81	2.13	-44.50
CC(C)CC(NC(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=N[N-]N=N1	REAL300019718403	1	40	-1.0	-46.64	343.75	2.11	-44.53
CC(C)CC(NC(=O)CC1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL300019718404	0	45	-1.0	-46.93	365.34	6.93	-40.00
CC(C)CC(NC(=O)CC1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL300019718404	1	45	-1.0	-46.91	365.40	6.95	-39.96
CC(C)CC(NC(=O)C(=O)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300019718405	0	34	-1.0	-40.00	325.30	3.78	-36.22
CC(C)CC(NC(=O)C(=O)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300019718405	1	34	-1.0	-40.00	325.36	3.80	-36.20
CC(C)CC(NC(=O)C1=COC(C2=C(F)C=CC=C2F)=N1)C1=NN=N[N-]1	REAL300019718406	0	41	-1.0	-50.69	360.70	3.06	-47.63
CC(C)CC(NC(=O)C1=COC(C2=C(F)C=CC=C2F)=N1)C1=N[N-]N=N1	REAL300019718406	1	41	-1.0	-50.71	360.64	3.05	-47.66
CC(C)CC(NC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2O1)C1=N[N-]N=N1	REAL300019718407	0	40	-1.0	-43.24	358.14	4.92	-38.32
CC(C)CC(NC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2O1)C1=NN=N[N-]1	REAL300019718407	1	40	-1.0	-43.26	358.19	4.93	-38.33
CC(C)=CCOC1=CC=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718408	0	52	-1.0	-47.95	419.60	7.08	-40.87
CC(C)=CCOC1=CC=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718408	1	52	-1.0	-47.94	419.65	7.10	-40.84
CC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)C1=N[N-]N=N1	REAL300019718409	0	52	-1.0	-58.12	419.96	7.77	-50.35
CC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)C1=NN=N[N-]1	REAL300019718409	1	52	-1.0	-58.08	420.01	7.79	-50.29
COCCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=N1	REAL300019718410	0	41	-1.0	-45.65	347.82	0.44	-45.21
COCCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=N1	REAL300019718410	1	41	-1.0	-45.65	347.76	0.43	-45.22
CC(C)CC(NC(=O)C1SCCCS1)C1=N[N-]N=N1	REAL300019718411	0	37	-1.0	-49.07	317.04	4.17	-44.90
CC(C)CC(NC(=O)C1SCCCS1)C1=NN=N[N-]1	REAL300019718411	1	37	-1.0	-49.05	317.10	4.18	-44.87
CC(C)CC(NC(=O)C1=CC=C(S(=O)(=O)C2CCC2)C=C1)C1=N[N-]N=N1	REAL300019718412	0	48	-1.0	-51.99	399.73	4.04	-47.95
CC(C)CC(NC(=O)C1=CC=C(S(=O)(=O)C2CCC2)C=C1)C1=NN=N[N-]1	REAL300019718412	1	48	-1.0	-52.01	399.78	4.05	-47.96
COC1=CC=C2ON=C(CC(=O)NC(CC(C)C)C3=N[N-]N=N3)C2=C1	REAL300019718413	0	44	-1.0	-55.07	369.07	3.46	-51.61
COC1=CC=C2ON=C(CC(=O)NC(CC(C)C)C3=NN=N[N-]3)C2=C1	REAL300019718413	1	44	-1.0	-55.07	369.13	3.48	-51.59
CC(C)CC(NC(=O)CC1=NOC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300019718414	0	40	-1.0	-52.54	345.97	4.22	-48.32
CC(C)CC(NC(=O)CC1=NOC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300019718414	1	40	-1.0	-52.62	346.03	4.23	-48.39
COC1CCCCN(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C1=O	REAL300019718415	0	49	-1.0	-55.28	376.47	3.50	-51.78
COC1CCCCN(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1=O	REAL300019718415	1	49	-1.0	-55.25	376.52	3.52	-51.73
CC(C)CC(NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019718416	0	55	-1.0	-55.08	431.56	3.76	-51.32
CC(C)CC(NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019718416	1	55	-1.0	-55.06	431.62	3.78	-51.28
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)C1=N[N-]N=N1	REAL300019718417	0	52	-1.0	-49.77	419.86	7.65	-42.12
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)C1=NN=N[N-]1	REAL300019718417	1	52	-1.0	-49.75	419.92	7.67	-42.08
CC1=CC=C(F)C(N2N=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C3=C2CCC3)=C1	REAL300019718418	0	52	-1.0	-57.83	428.63	7.99	-49.84
CC1=CC=C(F)C(N2N=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C3=C2CCC3)=C1	REAL300019718418	1	52	-1.0	-57.84	428.69	8.01	-49.83
CC1=CC=CC(F)=C1N1N=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C2=C1CCC2	REAL300019718419	0	52	-1.0	-54.43	421.92	7.97	-46.46
CC1=CC=CC(F)=C1N1N=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C2=C1CCC2	REAL300019718419	1	52	-1.0	-54.43	421.98	7.99	-46.44
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)C1=N[N-]N=N1	REAL300019718420	0	49	-1.0	-55.39	406.39	7.22	-48.17
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)C1=NN=N[N-]1	REAL300019718420	1	49	-1.0	-55.35	406.45	7.23	-48.12
CC(C)CC(NC(=O)C1=CC=C(S(C)(=O)=O)S1)C1=N[N-]N=N1	REAL300019718421	0	38	-1.0	-52.53	346.28	0.77	-51.76
CC(C)CC(NC(=O)C1=CC=C(S(C)(=O)=O)S1)C1=NN=N[N-]1	REAL300019718421	1	38	-1.0	-52.53	346.34	0.79	-51.74
CC(C)CC(NC(=O)CC1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718422	0	44	-1.0	-51.72	366.07	4.70	-47.02
CC(C)CC(NC(=O)CC1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718422	1	44	-1.0	-51.73	366.13	4.71	-47.02
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718423	0	43	-1.0	-44.27	354.60	6.14	-38.13
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718423	1	43	-1.0	-44.29	354.66	6.16	-38.13
CC(C)CC(NC(=O)C1=CC=C(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019718424	0	46	-1.0	-46.48	365.27	4.75	-41.73
CC(C)CC(NC(=O)C1=CC=C(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019718424	1	46	-1.0	-46.44	365.21	4.73	-41.71
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL300019718425	0	45	-1.0	-50.26	365.51	6.34	-43.92
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL300019718425	1	45	-1.0	-50.28	365.46	6.32	-43.96
CC(C)CC(NC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL300019718426	0	48	-1.0	-49.61	397.55	5.70	-43.91
CC(C)CC(NC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1)C1=NN=N[N-]1	REAL300019718426	1	48	-1.0	-49.60	397.61	5.72	-43.88
CC(C)CC(NC(=O)C=CC1(C)CCC(C)C1(C)C)C1=N[N-]N=N1	REAL300019718427	0	54	-1.0	-46.72	396.01	6.80	-39.92
CC(C)CC(NC(=O)C=CC1(C)CCC(C)C1(C)C)C1=NN=N[N-]1	REAL300019718427	1	54	-1.0	-46.74	396.07	6.81	-39.93
CC1=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)SC(SC2CCCC2)=N1	REAL300019718428	0	51	-1.0	-48.57	427.35	6.79	-41.78
CC1=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)SC(SC2CCCC2)=N1	REAL300019718428	1	51	-1.0	-48.51	427.41	6.80	-41.71
CC(C)CC(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL300019718429	0	38	-2.0	-111.34	334.18	4.76	-106.58
CC(C)CC(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL300019718429	1	38	-2.0	-111.34	334.23	4.78	-106.56
CC(C)CC(NC(=O)C1=CC=CC(C(F)(F)F)=C1O)C1=N[N-]N=N1	REAL300019718429	1	39	-1.0	-48.15	337.74	3.77	-44.38
CC(C)CC(NC(=O)C1=CC=CC(C(F)(F)F)=C1O)C1=NN=N[N-]1	REAL300019718429	1	39	-1.0	-48.19	337.80	3.79	-44.40
CC(=O)NC(=CC1=CC=CS1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718430	0	43	-1.0	-57.30	367.28	4.41	-52.89
CC(=O)NC(=CC1=CC=CS1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718430	1	43	-1.0	-57.31	367.34	4.43	-52.88
CC(C)CC(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL300019718431	0	40	-2.0	-97.80	348.18	1.85	-95.95
CC(C)CC(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL300019718431	1	40	-2.0	-97.84	348.24	1.86	-95.98
COC(=O)C1=CC=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718432	0	40	-1.0	-51.69	343.88	3.16	-48.53
COC(=O)C1=CC=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718432	1	40	-1.0	-51.71	343.82	3.15	-48.56
CNC1=CC=C(Cl)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718433	0	40	-1.0	-48.65	339.00	3.47	-45.18
CNC1=CC=C(Cl)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718433	1	40	-1.0	-48.66	339.06	3.49	-45.17
CCOC(=O)C(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019718434	0	47	-1.0	-45.75	386.15	6.51	-39.24
CCOC(=O)C(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019718434	1	47	-1.0	-45.78	386.21	6.52	-39.26
CC(C)CC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=N[N-]N=N1	REAL300019718435	0	41	-1.0	-53.56	365.31	2.13	-51.43
CC(C)CC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=NN=N[N-]1	REAL300019718435	1	41	-1.0	-53.54	365.37	2.16	-51.38
CC1=C(Cl)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NN1C	REAL300019718436	0	38	-1.0	-51.20	331.19	2.93	-48.27
CC1=C(Cl)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NN1C	REAL300019718436	1	38	-1.0	-51.21	331.25	2.95	-48.26
CCN1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CCC1=O	REAL300019718437	0	45	-1.0	-46.27	355.13	3.38	-42.89
CCN1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CCC1=O	REAL300019718437	1	45	-1.0	-46.30	355.18	3.39	-42.91
CC(C)CC(NC(=O)CC1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718438	0	40	-1.0	-48.06	346.92	4.84	-43.22
CC(C)CC(NC(=O)CC1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718438	1	40	-1.0	-48.09	346.98	4.85	-43.24
CC(C)CC(NC(=O)CC1=NOC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL300019718439	0	40	-1.0	-52.26	360.84	4.77	-47.49
CC(C)CC(NC(=O)CC1=NOC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL300019718439	1	40	-1.0	-52.25	360.90	4.79	-47.46
CC1=CC(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300019718440	0	45	-1.0	-45.28	380.35	6.87	-38.41
CC1=CC(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300019718440	1	45	-1.0	-45.29	380.41	6.89	-38.40
CC(C)CC(NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=N[N-]N=N1	REAL300019718441	0	43	-1.0	-54.36	374.53	5.05	-49.31
CC(C)CC(NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=NN=N[N-]1	REAL300019718441	1	43	-1.0	-54.34	374.59	5.07	-49.27
CCOCN1N=C(C)C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1C	REAL300019718442	0	51	-1.0	-50.14	413.79	3.18	-46.96
CCOCN1N=C(C)C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1C	REAL300019718442	1	51	-1.0	-50.13	413.85	3.19	-46.94
CC(C)CC(NC(=O)CC1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL300019718443	0	38	-1.0	-53.07	322.91	-0.19	-53.26
CC(C)CC(NC(=O)CC1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL300019718443	1	38	-1.0	-53.07	322.96	-0.18	-53.25
CC(=CC1CCC(C)CC1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718444	0	51	-1.0	-46.09	380.98	6.90	-39.19
CC(=CC1CCC(C)CC1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718444	1	51	-1.0	-46.12	381.04	6.91	-39.21
CCOCN1N=C(C)C(CC(C)C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1C	REAL300019718445	0	57	-1.0	-49.83	446.18	4.28	-45.55
CCOCN1N=C(C)C(CC(C)C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1C	REAL300019718445	1	57	-1.0	-49.81	446.23	4.30	-45.51
COC1=CC2=NC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)N2C=C1	REAL300019718446	0	42	-1.0	-47.92	346.50	3.85	-44.07
COC1=CC2=NC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)N2C=C1	REAL300019718446	1	42	-1.0	-47.90	346.44	3.83	-44.07
COC1=CC=CC(S(=O)CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718447	0	44	-1.0	-53.86	376.15	2.21	-51.65
COC1=CC=CC(S(=O)CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718447	1	44	-1.0	-53.89	376.20	2.22	-51.67
CC(C)CC(NC(=O)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)C1=N[N-]N=N1	REAL300019718448	0	48	-1.0	-46.10	398.99	6.46	-39.64
CC(C)CC(NC(=O)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)C1=NN=N[N-]1	REAL300019718448	1	48	-1.0	-46.10	399.04	6.48	-39.62
CC1=C(Br)C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019718449	0	35	-1.0	-45.03	324.78	4.52	-40.51
CC1=C(Br)C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019718449	1	35	-1.0	-45.05	324.83	4.54	-40.51
CC1=C2OC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C2=CC=C1	REAL300019718450	0	41	-1.0	-51.49	341.61	5.16	-46.33
CC1=C2OC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C2=CC=C1	REAL300019718450	1	41	-1.0	-51.41	341.66	5.18	-46.23
CCC(CC1=CC=CC=C1C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718451	0	50	-1.0	-47.56	383.04	7.27	-40.29
CCC(CC1=CC=CC=C1C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718451	1	50	-1.0	-47.54	383.09	7.29	-40.25
CC1=CC(F)=CC(N2N=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C3=C2CCC3)=C1	REAL300019718452	0	52	-1.0	-50.71	426.13	7.82	-42.89
CC1=CC(F)=CC(N2N=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C3=C2CCC3)=C1	REAL300019718452	1	52	-1.0	-50.73	426.18	7.84	-42.89
CC(C)CC(NC(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=NN=N[N-]1	REAL300019718453	0	44	-1.0	-51.26	367.06	7.87	-43.39
CC(C)CC(NC(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=N[N-]N=N1	REAL300019718453	1	44	-1.0	-51.24	367.00	7.85	-43.39
CC(C)CC(NC(=O)CCC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019718454	0	45	-1.0	-48.04	376.74	5.27	-42.77
CC(C)CC(NC(=O)CCC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019718454	1	45	-1.0	-48.04	376.79	5.28	-42.76
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C(Br)O1	REAL300019718455	0	35	-1.0	-42.64	314.86	3.67	-38.97
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C(Br)O1	REAL300019718455	1	35	-1.0	-42.63	314.92	3.69	-38.94
C=CCCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=N1	REAL300019718456	0	41	-1.0	-46.29	348.46	2.70	-43.59
C=CCCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=N1	REAL300019718456	1	41	-1.0	-46.29	348.40	2.68	-43.61
CC(C)CC(NC(=O)C1=NC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718457	0	39	-1.0	-46.91	329.84	2.89	-44.02
CC(C)CC(NC(=O)C1=NC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718457	1	39	-1.0	-46.89	329.79	2.87	-44.02
CC(=O)NC1=CC=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718458	0	45	-1.0	-52.27	371.86	3.79	-48.48
CC(=O)NC1=CC=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718458	1	45	-1.0	-52.27	371.92	3.81	-48.46
COC(=O)N1CC2CCC1C(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C2	REAL300019718459	0	50	-1.0	-48.49	383.86	4.04	-44.45
COC(=O)N1CC2CCC1C(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C2	REAL300019718459	1	50	-1.0	-48.48	383.91	4.05	-44.43
COC(=O)N1CC2C=CC1C(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C2	REAL300019718460	0	48	-1.0	-59.40	376.63	4.87	-54.53
COC(=O)N1CC2C=CC1C(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C2	REAL300019718460	1	48	-1.0	-59.39	376.69	4.87	-54.52
CC(C)CC(NC(=O)C(CCCC#N)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718461	0	55	-1.0	-50.89	436.05	3.68	-47.21
CC(C)CC(NC(=O)C(CCCC#N)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718461	1	55	-1.0	-50.90	436.11	3.70	-47.20
CC(C)CC(NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718462	0	49	-1.0	-51.28	389.67	3.19	-48.09
CC(C)CC(NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718462	1	49	-1.0	-51.30	389.72	3.21	-48.09
CC(C)CC(NC(=O)C1=C(N)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019718463	0	46	-1.0	-47.29	360.45	3.04	-44.25
CC(C)CC(NC(=O)C1=C(N)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019718463	1	46	-1.0	-47.34	360.39	3.02	-44.32
CC(C)CC(NC(=O)C1=CC=CC2=CC=CC(O)=C21)C1=NN=N[N-]1	REAL300019718464	0	42	-1.0	-51.39	346.00	4.96	-46.43
CC(C)CC(NC(=O)C1=CC=CC2=CC=CC(O)=C21)C1=N[N-]N=N1	REAL300019718464	1	42	-1.0	-51.40	345.94	4.95	-46.45
CC(C)CC(NC(=O)CC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300019718465	0	43	-1.0	-53.28	367.66	0.80	-52.48
CC(C)CC(NC(=O)CC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300019718465	1	43	-1.0	-53.24	367.72	0.81	-52.43
CC(C)CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019718466	0	47	0.0	-76.35	376.43	4.10	-72.25
CC(C)CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019718466	1	47	0.0	-76.40	376.37	4.09	-72.31
CC(C)CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300019718467	0	47	0.0	-52.17	371.05	3.55	-48.62
CC(C)CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300019718467	1	47	0.0	-52.18	370.99	3.55	-48.63
CC(C)CC(NC(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300019718468	0	38	-1.0	-45.83	352.71	5.76	-40.07
CC(C)CC(NC(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019718468	1	38	-1.0	-45.81	352.66	5.75	-40.06
CC(C)CC([N-]C(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019718468	1	37	-2.0	-113.91	348.89	3.77	-110.14
CC(C)CC(NC(=O)C1=CC(=O)C2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL300019718469	0	44	-1.0	-46.19	353.44	5.25	-40.94
CC(C)CC(NC(=O)C1=CC(=O)C2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL300019718469	1	44	-1.0	-46.14	353.50	5.26	-40.88
CC(C)CC(NC(=O)C1=CC=C(SC(F)(F)F)O1)C1=N[N-]N=N1	REAL300019718470	0	36	-1.0	-43.86	336.91	3.94	-39.92
CC(C)CC(NC(=O)C1=CC=C(SC(F)(F)F)O1)C1=NN=N[N-]1	REAL300019718470	1	36	-1.0	-43.89	336.97	3.95	-39.94
CC(C)CC(NC(=O)CC(C)N1C=C(Br)C=N1)C1=NN=N[N-]1	REAL300019718471	0	41	-1.0	-45.74	354.78	3.95	-41.79
CC(C)CC(NC(=O)CC(C)N1C=C(Br)C=N1)C1=N[N-]N=N1	REAL300019718471	1	41	-1.0	-45.73	354.72	3.94	-41.79
CC(C)CC(NC(=O)C1=C2C=CC(Br)=CC2=NN1C)C1=NN=N[N-]1	REAL300019718472	0	41	-1.0	-40.42	364.63	4.65	-35.77
CC(C)CC(NC(=O)C1=C2C=CC(Br)=CC2=NN1C)C1=N[N-]N=N1	REAL300019718472	1	41	-1.0	-40.45	364.57	4.63	-35.82
CC(C)CC(NC(=O)C1=CSC2=CC(Cl)=CN=C12)C1=NN=N[N-]1	REAL300019718473	0	37	-1.0	-53.38	340.09	4.30	-49.08
CC(C)CC(NC(=O)C1=CSC2=CC(Cl)=CN=C12)C1=N[N-]N=N1	REAL300019718473	1	37	-1.0	-53.33	340.03	4.28	-49.05
CC(C)CC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019718474	0	58	-1.0	-56.11	434.37	6.25	-49.86
CC(C)CC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019718474	1	58	-1.0	-56.08	434.42	6.27	-49.81
CC(C)CC(NC(=O)C1=CNC2=C(F)C(F)=CC=C2C1=O)C1=N[N-]N=N1	REAL300019718475	0	41	-1.0	-49.32	352.00	4.49	-44.83
CC(C)CC(NC(=O)C1=CNC2=C(F)C(F)=CC=C2C1=O)C1=NN=N[N-]1	REAL300019718475	1	41	-1.0	-49.37	352.06	4.50	-44.87
CC(C)CC(NC(=O)C1=CN(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300019718476	0	42	-1.0	-46.08	358.94	5.40	-40.68
CC(C)CC(NC(=O)C1=CN(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300019718476	1	42	-1.0	-46.10	358.88	5.38	-40.72
CC(C)CC(NC(=O)C1=CN2CCCCC2=C1)C1=N[N-]N=N1	REAL300019718477	0	43	-1.0	-53.09	343.02	5.42	-47.67
CC(C)CC(NC(=O)C1=CN2CCCCC2=C1)C1=NN=N[N-]1	REAL300019718477	1	43	-1.0	-53.08	343.08	5.44	-47.64
CC1=C([N+](=O)[O-])C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019718478	0	42	-1.0	-41.76	357.81	5.87	-35.89
CC1=C([N+](=O)[O-])C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019718478	1	42	-1.0	-41.75	357.87	5.89	-35.86
CC(C)CC(NC(=O)CNS(=O)(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300019718479	0	42	-1.0	-52.44	365.28	-1.23	-53.67
CC(C)CC(NC(=O)CNS(=O)(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300019718479	1	42	-1.0	-52.47	365.23	-1.25	-53.72
CCNC1=NC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CS1	REAL300019718480	0	39	-1.0	-46.54	337.96	2.07	-44.47
CCNC1=NC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CS1	REAL300019718480	1	39	-1.0	-46.55	337.90	2.06	-44.49
CC(C)CC(NC(=O)C1=CN=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019718481	0	38	-1.0	-46.14	327.13	2.01	-44.13
CC(C)CC(NC(=O)C1=CN=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019718481	1	38	-1.0	-46.18	327.07	2.00	-44.18
CC(C)CC(NC(=O)CC1=CC=CC(CC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019718482	0	44	-1.0	-46.49	377.11	6.61	-39.88
CC(C)CC(NC(=O)CC1=CC=CC(CC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019718482	1	44	-1.0	-46.52	377.17	6.62	-39.90
CC(C)CC(NC(=O)CC1=NC(C2CC2)=NN1C)C1=N[N-]N=N1	REAL300019718483	0	44	-1.0	-51.11	364.69	4.28	-46.83
CC(C)CC(NC(=O)CC1=NC(C2CC2)=NN1C)C1=NN=N[N-]1	REAL300019718483	1	44	-1.0	-51.10	364.75	4.29	-46.81
CC(C)CC(NC(=O)C1CCC2=NC=NC=C2C1)C1=N[N-]N=N1	REAL300019718484	0	43	-1.0	-46.25	345.46	4.52	-41.73
CC(C)CC(NC(=O)C1CCC2=NC=NC=C2C1)C1=NN=N[N-]1	REAL300019718484	1	43	-1.0	-46.24	345.52	4.53	-41.71
CC(C)CC(NC(=O)CC1(C)CC1(F)Cl)C1=N[N-]N=N1	REAL300019718485	0	38	-1.0	-42.05	326.57	4.39	-37.66
CC(C)CC(NC(=O)CC1(C)CC1(F)Cl)C1=NN=N[N-]1	REAL300019718485	1	38	-1.0	-42.07	326.62	4.40	-37.67
CC(C)CC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019718486	0	49	-1.0	-44.57	398.61	5.17	-39.40
CC(C)CC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019718486	1	49	-1.0	-44.59	398.55	5.16	-39.43
CC(C)CC(NC(=O)C1=CC2=CC=CC(Cl)=C2S1)C1=N[N-]N=N1	REAL300019718487	0	38	-1.0	-46.13	347.00	6.10	-40.03
CC(C)CC(NC(=O)C1=CC2=CC=CC(Cl)=C2S1)C1=NN=N[N-]1	REAL300019718487	1	38	-1.0	-46.20	347.06	6.11	-40.09
CC(C)CC(NC(=O)C1CCC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019718488	0	42	-1.0	-45.99	358.32	6.56	-39.43
CC(C)CC(NC(=O)C1CCC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019718488	1	42	-1.0	-45.92	358.38	6.57	-39.35
CC(C)CC(NC(=O)CC1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL300019718489	0	41	-1.0	-54.02	343.92	4.65	-49.37
CC(C)CC(NC(=O)CC1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL300019718489	1	41	-1.0	-53.99	343.87	4.64	-49.35
CC(C)CC(NC(=O)C1=C2CC(C)CCN2N=C1)C1=N[N-]N=N1	REAL300019718490	0	45	-1.0	-47.97	356.37	4.16	-43.81
CC(C)CC(NC(=O)C1=C2CC(C)CCN2N=C1)C1=NN=N[N-]1	REAL300019718490	1	45	-1.0	-47.97	356.42	4.18	-43.79
CC(C)CC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019718491	0	37	-2.0	-106.09	339.50	5.48	-100.61
CC(C)CC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019718491	1	37	-2.0	-106.05	339.55	5.49	-100.56
CC(C)CC(NC(=O)CC1=CC=C2OCCCC2=C1)C1=N[N-]N=N1	REAL300019718492	0	46	-1.0	-48.76	369.83	5.46	-43.30
CC(C)CC(NC(=O)CC1=CC=C2OCCCC2=C1)C1=NN=N[N-]1	REAL300019718492	1	46	-1.0	-48.72	369.89	5.48	-43.24
CSC1=CC=C(CCCC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718493	0	48	-1.0	-48.26	399.24	7.45	-40.81
CSC1=CC=C(CCCC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718493	1	48	-1.0	-48.23	399.29	7.46	-40.77
CC(C)CC(NC(=O)CN1N=NN=C1C1=CSC=C1)C1=N[N-]N=N1	REAL300019718494	0	40	-1.0	-47.78	350.20	2.77	-45.01
CC(C)CC(NC(=O)CN1N=NN=C1C1=CSC=C1)C1=NN=N[N-]1	REAL300019718494	1	40	-1.0	-47.81	350.26	2.79	-45.02
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N=NN1C1=CC=C(F)C(F)=C1	REAL300019718495	0	44	-1.0	-46.29	376.37	4.45	-41.84
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N=NN1C1=CC=C(F)C(F)=C1	REAL300019718495	1	44	-1.0	-46.26	376.43	4.47	-41.79
CC(C)CC(NC(=O)C1=COC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL300019718496	0	38	-1.0	-52.37	326.59	4.56	-47.81
CC(C)CC(NC(=O)C1=COC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL300019718496	1	38	-1.0	-52.34	326.65	4.58	-47.76
CC(C)CC(NC(=O)C1=CC=NN1CC(C)C)C1=NN=N[N-]1	REAL300019718497	0	44	-1.0	-44.63	348.98	4.39	-40.24
CC(C)CC(NC(=O)C1=CC=NN1CC(C)C)C1=N[N-]N=N1	REAL300019718497	1	44	-1.0	-44.62	348.93	4.37	-40.25
CC1=NC2=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=C(Cl)C=C2C=C1	REAL300019718498	0	43	-1.0	-55.05	368.86	6.09	-48.96
CC1=NC2=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=C(Cl)C=C2C=C1	REAL300019718498	1	43	-1.0	-55.04	368.92	6.10	-48.94
CCOC(=O)C1CCC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL300019718499	0	53	-1.0	-45.81	405.45	6.44	-39.37
CCOC(=O)C1CCC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL300019718499	1	53	-1.0	-45.81	405.51	6.46	-39.35
CC(C)CC(NC(=O)CCCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718500	0	49	-1.0	-52.59	387.99	5.45	-47.14
CC(C)CC(NC(=O)CCCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718500	1	49	-1.0	-52.56	388.04	5.47	-47.09
CC(C)CC(NC(=O)CN1C=CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300019718501	0	42	-1.0	-47.79	355.74	6.39	-41.40
CC(C)CC(NC(=O)CN1C=CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300019718501	1	42	-1.0	-47.79	355.80	6.41	-41.38
CC(C)CC(NC(=O)C1=NN2CCOCC2=C1)C1=N[N-]N=N1	REAL300019718502	0	40	-1.0	-50.32	329.86	1.19	-49.13
CC(C)CC(NC(=O)C1=NN2CCOCC2=C1)C1=NN=N[N-]1	REAL300019718502	1	40	-1.0	-50.34	329.91	1.20	-49.14
CC(C)=CCCC(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718503	0	50	-1.0	-45.16	386.19	6.69	-38.47
CC(C)=CCCC(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718503	1	50	-1.0	-45.15	386.25	6.71	-38.44
CC(C)CC(NC(=O)C1=CC=C2OC(C)(C)CC2=C1)C1=N[N-]N=N1	REAL300019718504	0	46	-1.0	-47.05	368.86	5.45	-41.60
CC(C)CC(NC(=O)C1=CC=C2OC(C)(C)CC2=C1)C1=NN=N[N-]1	REAL300019718504	1	46	-1.0	-47.08	368.92	5.47	-41.61
CC(C)CC(NC(=O)COCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718505	0	47	-1.0	-56.50	380.07	4.69	-51.81
CC(C)CC(NC(=O)COCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718505	1	47	-1.0	-56.53	380.12	4.71	-51.82
CC1=CC=C(C2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=C2)N=N1	REAL300019718506	0	46	-1.0	-54.17	379.78	5.52	-48.65
CC1=CC=C(C2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=C2)N=N1	REAL300019718506	1	46	-1.0	-54.18	379.84	5.54	-48.64
CC(C)CC(NC(=O)C1=CC=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL300019718507	0	40	-1.0	-53.10	328.13	4.65	-48.45
CC(C)CC(NC(=O)C1=CC=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL300019718507	1	40	-1.0	-53.15	328.07	4.64	-48.51
CC(C)CC(NC(=O)C1=CC2=C(Br)C=NC=C2S1)C1=NN=N[N-]1	REAL300019718508	0	37	-1.0	-44.20	345.94	4.39	-39.81
CC(C)CC(NC(=O)C1=CC2=C(Br)C=NC=C2S1)C1=N[N-]N=N1	REAL300019718508	1	37	-1.0	-44.19	345.89	4.37	-39.82
CCCC1=CC=C(CCCC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718509	0	53	-1.0	-47.36	423.37	8.68	-38.68
CCCC1=CC=C(CCCC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718509	1	53	-1.0	-47.42	423.43	8.70	-38.72
CC(C)CC(NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019718510	0	44	-1.0	-46.59	363.27	6.08	-40.51
CC(C)CC(NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019718510	1	44	-1.0	-46.56	363.21	6.06	-40.50
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1N1CCOCC1	REAL300019718511	0	51	-1.0	-46.28	399.03	4.38	-41.90
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1N1CCOCC1	REAL300019718511	1	51	-1.0	-46.25	399.08	4.40	-41.85
CC(C)CC(NC(=O)C1=CN(C2CCC2)N=N1)C1=NN=N[N-]1	REAL300019718512	0	41	-1.0	-45.84	338.07	2.51	-43.33
CC(C)CC(NC(=O)C1=CN(C2CCC2)N=N1)C1=N[N-]N=N1	REAL300019718512	1	41	-1.0	-45.85	338.01	2.49	-43.36
CC(C)CC(NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718513	0	52	-1.0	-47.72	408.83	2.90	-44.82
CC(C)CC(NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718513	1	52	-1.0	-47.71	408.88	2.92	-44.79
CC(C)CC(NC(=O)C1=CC=CC2=CC(O)=CC=C21)C1=NN=N[N-]1	REAL300019718514	0	42	-1.0	-50.92	344.04	3.61	-47.31
CC(C)CC(NC(=O)C1=CC=CC2=CC(O)=CC=C21)C1=N[N-]N=N1	REAL300019718514	1	42	-1.0	-50.90	343.98	3.60	-47.30
CC(C)CC(NC(=O)C1=C(O)C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718515	0	41	-1.0	-55.76	341.15	3.20	-52.56
CC(C)CC(NC(=O)C1=C(O)C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718515	1	41	-1.0	-55.82	341.21	3.20	-52.62
CC(C)CC(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718515	1	40	-2.0	-125.59	337.59	4.20	-121.39
CC(C)CC(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718515	1	40	-2.0	-125.51	337.65	4.20	-121.31
CC(C)CC(NC(=O)C1=CC=C(C2=CNC=N2)C=C1)C1=N[N-]N=N1	REAL300019718516	0	42	-1.0	-54.90	349.68	5.41	-49.49
CC(C)CC(NC(=O)C1=CC=C(C2=CNC=N2)C=C1)C1=NN=N[N-]1	REAL300019718516	1	42	-1.0	-54.91	349.73	5.42	-49.49
CC(C)CC(NC(=O)CC1=CC=CC(F)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019718517	0	40	-1.0	-49.05	351.53	5.72	-43.33
CC(C)CC(NC(=O)CC1=CC=CC(F)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019718517	1	40	-1.0	-49.06	351.59	5.74	-43.32
CC(C)CC(NC(=O)C1COC2=CC=C(O)C=C2O1)C1=N[N-]N=N1	REAL300019718518	0	42	-1.0	-48.38	350.25	1.40	-46.98
CC(C)CC(NC(=O)C1COC2=CC=C(O)C=C2O1)C1=NN=N[N-]1	REAL300019718518	1	42	-1.0	-48.38	350.31	1.42	-46.96
CC(C)CC(NC(=O)C1=C(Cl)SC(Br)=N1)C1=NN=N[N-]1	REAL300019718519	0	31	-1.0	-43.08	314.43	2.47	-40.61
CC(C)CC(NC(=O)C1=C(Cl)SC(Br)=N1)C1=N[N-]N=N1	REAL300019718519	1	31	-1.0	-43.12	314.37	2.46	-40.66
CC(C)CC(NC(=O)CC1=CC=C(Br)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019718520	0	40	-1.0	-52.85	360.57	5.99	-46.86
CC(C)CC(NC(=O)CC1=CC=C(Br)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019718520	1	40	-1.0	-52.84	360.63	6.00	-46.84
COC(=O)C1=C(COCC(=O)NC(CC(C)C)C2=NN=N[N-]2)OC=N1	REAL300019718521	0	44	-1.0	-58.14	379.16	0.61	-57.53
COC(=O)C1=C(COCC(=O)NC(CC(C)C)C2=N[N-]N=N2)OC=N1	REAL300019718521	1	44	-1.0	-58.15	379.10	0.58	-57.57
CC(C)CC(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=NN=N[N-]1	REAL300019718522	0	47	0.0	-64.69	366.52	3.07	-61.62
CC(C)CC(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=N[N-]N=N1	REAL300019718522	1	47	0.0	-64.67	366.47	3.06	-61.61
CC1=C(C2=CC=CO2)N=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019718523	0	44	-1.0	-50.00	382.75	4.41	-45.59
CC1=C(C2=CC=CO2)N=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019718523	1	44	-1.0	-49.98	382.69	4.40	-45.58
CC(C)CC(NC(=O)CN1CC2=CC=CC=C2OC1=O)C1=N[N-]N=N1	REAL300019718524	0	44	-1.0	-61.09	365.77	4.96	-56.13
CC(C)CC(NC(=O)CN1CC2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL300019718524	1	44	-1.0	-61.09	365.83	4.98	-56.11
CC1=C(C2=CC=CC=C2)SC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718525	0	45	-1.0	-46.70	382.66	7.54	-39.16
CC1=C(C2=CC=CC=C2)SC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718525	1	45	-1.0	-46.68	382.72	7.55	-39.13
CC1=NN(C(C)C)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718526	0	44	-1.0	-48.93	354.86	3.91	-45.02
CC1=NN(C(C)C)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718526	1	44	-1.0	-48.93	354.92	3.93	-45.00
CC(C)CC(NC(=O)CCC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019718527	0	41	-1.0	-46.96	365.62	6.48	-40.48
CC(C)CC(NC(=O)CCC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019718527	1	41	-1.0	-46.96	365.68	6.50	-40.46
CC(C)CC(NC(=O)C1=CC=C(C(F)F)N=C1)C1=N[N-]N=N1	REAL300019718528	0	37	-1.0	-44.60	319.63	3.29	-41.31
CC(C)CC(NC(=O)C1=CC=C(C(F)F)N=C1)C1=NN=N[N-]1	REAL300019718528	1	37	-1.0	-44.64	319.69	3.31	-41.33
CC(C)CC(NC(=O)C1=C2OCCOC2=CS1)C1=N[N-]N=N1	REAL300019718529	0	38	-1.0	-51.38	326.40	2.64	-48.74
CC(C)CC(NC(=O)C1=C2OCCOC2=CS1)C1=NN=N[N-]1	REAL300019718529	1	38	-1.0	-51.39	326.46	2.65	-48.74
CCC1=C(C2=CC=CC=C2)SC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718530	0	48	-1.0	-46.72	402.98	8.21	-38.51
CCC1=C(C2=CC=CC=C2)SC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718530	1	48	-1.0	-46.71	403.04	8.23	-38.48
CC(C)CC(NC(=O)CCCC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019718531	0	44	-1.0	-49.07	369.64	6.48	-42.59
CC(C)CC(NC(=O)CCCC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019718531	1	44	-1.0	-49.07	369.70	6.49	-42.58
CC(C)CC(NC(=O)CC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718532	0	58	-1.0	-57.14	438.85	5.77	-51.37
CC(C)CC(NC(=O)CC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718532	1	58	-1.0	-57.16	438.91	5.78	-51.38
CC(C)CC(NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300019718533	0	55	-1.0	-50.82	426.18	5.55	-45.27
CC(C)CC(NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300019718533	1	55	-1.0	-50.85	426.23	5.57	-45.28
CC(C)CC(NC(=O)C1CCCC1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718534	0	58	-1.0	-60.05	440.55	4.06	-55.99
CC(C)CC(NC(=O)C1CCCC1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718534	1	58	-1.0	-60.12	440.63	4.07	-56.05
CC(C)CC(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718535	0	51	-1.0	-44.83	394.44	4.16	-40.67
CC(C)CC(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718535	1	51	-1.0	-44.79	394.50	4.18	-40.61
CC(C)CC(NC(=O)C(C)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300019718536	0	45	-1.0	-46.21	373.72	6.55	-39.66
CC(C)CC(NC(=O)C(C)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300019718536	1	45	-1.0	-46.21	373.78	6.57	-39.64
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)OC(=O)C2=CC=CC=C21	REAL300019718537	0	43	-1.0	-49.13	354.38	6.07	-43.06
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)OC(=O)C2=CC=CC=C21	REAL300019718537	1	43	-1.0	-49.15	354.44	6.08	-43.07
CC(C)CC(NC(=O)C1CC12CCCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019718538	0	59	-1.0	-46.20	450.22	6.41	-39.79
CC(C)CC(NC(=O)C1CC12CCCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019718538	1	59	-1.0	-46.20	450.26	6.43	-39.77
CC(C)CC(NC(=O)C(CCCCC#N)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718539	0	58	-1.0	-56.83	458.37	5.32	-51.51
CC(C)CC(NC(=O)C(CCCCC#N)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718539	1	58	-1.0	-56.86	458.39	5.34	-51.52
CC(C)CC(NC(=O)CCCCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718540	0	52	-1.0	-46.79	409.44	6.28	-40.51
CC(C)CC(NC(=O)CCCCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718540	1	52	-1.0	-46.83	409.50	6.30	-40.53
CC(C)CC(NC(=O)[C@H](C)NC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL300019718541	0	42	-1.0	-47.90	354.31	1.53	-46.37
CC(C)CC(NC(=O)[C@H](C)NC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL300019718541	1	42	-1.0	-47.92	354.37	1.54	-46.38
CC(C)CC(NC(=O)C1=NN(CCF)C(=O)C=C1)C1=N[N-]N=N1	REAL300019718542	0	40	-1.0	-42.06	342.39	2.30	-39.76
CC(C)CC(NC(=O)C1=NN(CCF)C(=O)C=C1)C1=NN=N[N-]1	REAL300019718542	1	40	-1.0	-42.05	342.45	2.32	-39.73
CC(C)CC(NC(=O)C1=CC(Cl)=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300019718543	0	41	-1.0	-42.46	353.34	4.85	-37.61
CC(C)CC(NC(=O)C1=CC(Cl)=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300019718543	1	41	-1.0	-42.46	353.39	4.87	-37.59
CC(C)CC(NC(=O)C1=CC=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019718544	0	47	-1.0	-48.13	367.61	6.53	-41.60
CC(C)CC(NC(=O)C1=CC=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019718544	1	47	-1.0	-48.14	367.67	6.54	-41.60
CC(C)CC(NC(=O)C1=CC=C2OCCOC2=N1)C1=NN=N[N-]1	REAL300019718545	0	40	-1.0	-48.62	333.21	0.45	-48.17
CC(C)CC(NC(=O)C1=CC=C2OCCOC2=N1)C1=N[N-]N=N1	REAL300019718545	1	40	-1.0	-48.58	333.15	0.42	-48.16
CC(C)CC(NC(=O)CCCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019718546	0	44	-1.0	-47.59	365.39	6.54	-41.05
CC(C)CC(NC(=O)CCCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019718546	1	44	-1.0	-47.62	365.45	6.55	-41.07
CC(C)CC(NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019718547	0	49	-1.0	-54.02	390.84	1.54	-52.48
CC(C)CC(NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019718547	1	49	-1.0	-53.97	390.90	1.56	-52.41
CC1=NN(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C(=O)N1C	REAL300019718548	0	41	-1.0	-56.42	345.78	3.16	-53.26
CC1=NN(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C(=O)N1C	REAL300019718548	1	41	-1.0	-56.47	345.84	3.18	-53.29
CC(C)CC(NC(=O)CC1OCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718549	0	43	-1.0	-48.99	350.59	4.79	-44.20
CC(C)CC(NC(=O)CC1OCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718549	1	43	-1.0	-48.97	350.65	4.81	-44.16
COC1=CC=C2CCCC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C2=C1	REAL300019718550	0	49	-1.0	-50.62	384.03	5.59	-45.03
COC1=CC=C2CCCC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C2=C1	REAL300019718550	1	49	-1.0	-50.55	384.09	5.60	-44.95
COC1=CN2N=CC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=C2C=C1	REAL300019718551	0	42	-1.0	-49.56	348.47	3.18	-46.38
COC1=CN2N=CC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=C2C=C1	REAL300019718551	1	42	-1.0	-49.55	348.41	3.17	-46.38
CC(C)CC(NC(=O)CCC1CCCCCC1)C1=N[N-]N=N1	REAL300019718552	0	50	-1.0	-45.28	370.18	6.26	-39.02
CC(C)CC(NC(=O)CCC1CCCCCC1)C1=NN=N[N-]1	REAL300019718552	1	50	-1.0	-45.33	370.23	6.27	-39.06
CC(C)CC(NC(=O)C1=CC=CC2=C1OC(C)(C)C2)C1=N[N-]N=N1	REAL300019718553	0	46	-1.0	-55.59	367.89	6.30	-49.29
CC(C)CC(NC(=O)C1=CC=CC2=C1OC(C)(C)C2)C1=NN=N[N-]1	REAL300019718553	1	46	-1.0	-55.58	367.95	6.31	-49.27
CC(C)CC(NC(=O)C1CCCS1(=O)=O)C1=N[N-]N=N1	REAL300019718554	0	38	-1.0	-50.36	318.48	-0.15	-50.51
CC(C)CC(NC(=O)C1CCCS1(=O)=O)C1=NN=N[N-]1	REAL300019718554	1	38	-1.0	-50.32	318.54	-0.14	-50.46
CC(C)CC(NC(=O)C=CC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300019718555	0	42	-1.0	-47.08	365.61	4.44	-42.64
CC(C)CC(NC(=O)C=CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300019718555	1	42	-1.0	-47.07	365.67	4.46	-42.61
CC(C)CC(NC(=O)C1=CN=C(C2CC2)N=C1N)C1=N[N-]N=N1	REAL300019718556	0	42	-1.0	-43.32	343.81	3.01	-40.31
CC(C)CC(NC(=O)C1=CN=C(C2CC2)N=C1N)C1=NN=N[N-]1	REAL300019718556	1	42	-1.0	-43.29	343.87	3.02	-40.27
CC(C)CC(NC(=O)C1=CNC=C2N=C(C(F)(F)F)N=C21)C1=N[N-]N=N1	REAL300019718557	0	40	-1.0	-63.22	352.93	2.82	-60.40
CC(C)CC(NC(=O)C1=CNC=C2N=C(C(F)(F)F)N=C21)C1=NN=N[N-]1	REAL300019718557	1	40	-1.0	-63.22	352.98	2.84	-60.38
CC(C)CC(NC(=O)C1CCN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718558	0	47	-1.0	-49.10	365.96	4.38	-44.72
CC(C)CC(NC(=O)C1CCN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718558	1	47	-1.0	-49.16	366.02	4.39	-44.77
CC(C)CC(NC(=O)C1=CN=C(N(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300019718559	0	42	-1.0	-43.29	359.62	3.43	-39.86
CC(C)CC(NC(=O)C1=CN=C(N(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300019718559	1	42	-1.0	-43.28	359.56	3.41	-39.87
CC(C)CC(NC(=O)C(F)(F)C1=CC=CC=C1OC(C)C)C1=N[N-]N=N1	REAL300019718560	0	48	-1.0	-46.86	393.32	5.97	-40.89
CC(C)CC(NC(=O)C(F)(F)C1=CC=CC=C1OC(C)C)C1=NN=N[N-]1	REAL300019718560	1	48	-1.0	-46.86	393.37	5.98	-40.88
CC(C)CC(NC(=O)CC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL300019718561	0	37	-1.0	-52.90	325.19	3.44	-49.46
CC(C)CC(NC(=O)CC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL300019718561	1	37	-1.0	-52.86	325.14	3.41	-49.45
CC(C)CC(NC(=O)C1=CC=CC2=C1NC(=O)CO2)C1=N[N-]N=N1	REAL300019718562	0	41	-1.0	-51.82	337.33	1.80	-50.02
CC(C)CC(NC(=O)C1=CC=CC2=C1NC(=O)CO2)C1=NN=N[N-]1	REAL300019718562	1	41	-1.0	-51.85	337.38	1.82	-50.03
CC(=NO)C1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1(C)C	REAL300019718563	0	48	-1.0	-45.07	375.52	2.49	-42.58
CC(=NO)C1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1(C)C	REAL300019718563	1	48	-1.0	-45.06	375.58	2.51	-42.55
CC(C)CC(NC(=O)COC1=NSN=C1N1CCOCC1)C1=NN=N[N-]1	REAL300019718564	0	47	-1.0	-44.81	392.97	-0.25	-45.06
CC(C)CC(NC(=O)COC1=NSN=C1N1CCOCC1)C1=N[N-]N=N1	REAL300019718564	1	47	-1.0	-44.76	392.91	-0.27	-45.03
CC1=CN=C2C=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=CN12	REAL300019718565	0	41	-1.0	-52.35	339.79	5.29	-47.06
CC1=CN=C2C=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=CN12	REAL300019718565	1	41	-1.0	-52.41	339.85	5.31	-47.10
CC(C)CC(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019718566	0	57	-1.0	-49.54	449.89	6.47	-43.07
CC(C)CC(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019718566	1	57	-1.0	-49.53	449.95	6.48	-43.05
CC(C)CC(NC(=O)C1CC(C)CC2=CNN=C21)C1=N[N-]N=N1	REAL300019718567	0	45	-1.0	-48.40	353.28	3.44	-44.96
CC(C)CC(NC(=O)C1CC(C)CC2=CNN=C21)C1=NN=N[N-]1	REAL300019718567	1	45	-1.0	-48.40	353.34	3.46	-44.94
CC(C)CC(NC(=O)CC(N1C=CN=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300019718568	0	41	-1.0	-44.23	350.04	5.17	-39.06
CC(C)CC(NC(=O)CC(N1C=CN=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300019718568	1	41	-1.0	-44.18	350.10	5.19	-38.99
CC(C)CC(NC(=O)C1=CC(N2C=CN=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019718569	0	43	-1.0	-51.21	356.28	5.10	-46.11
CC(C)CC(NC(=O)C1=CC(N2C=CN=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019718569	1	43	-1.0	-51.28	356.34	5.11	-46.17
CC(C)CC(NC(=O)C1=CSC(Br)=N1)C1=NN=N[N-]1	REAL300019718570	0	31	-1.0	-44.43	300.53	1.77	-42.66
CC(C)CC(NC(=O)C1=CSC(Br)=N1)C1=N[N-]N=N1	REAL300019718570	1	31	-1.0	-44.44	300.47	1.75	-42.69
CC(C)CC(NC(=O)C(CC(C)C)N1C=CN=C1)C1=N[N-]N=N1	REAL300019718571	0	47	-1.0	-41.68	375.14	6.29	-35.39
CC(C)CC(NC(=O)C(CC(C)C)N1C=CN=C1)C1=NN=N[N-]1	REAL300019718571	1	47	-1.0	-41.69	375.18	6.31	-35.38
CC(C)CC(NC(=O)C1=CC(C2CCCN2C)=NN1)C1=N[N-]N=N1	REAL300019718572	0	47	-1.0	-44.97	376.67	1.26	-43.71
CC(C)CC(NC(=O)C1=CC(C2CCCN2C)=NN1)C1=NN=N[N-]1	REAL300019718572	1	47	-1.0	-44.97	376.73	1.27	-43.70
CC(C)CC(NC(=O)C=C1SCC(=O)N1C)C1=N[N-]N=N1	REAL300019718573	0	38	-1.0	-46.88	324.78	2.64	-44.24
CC(C)CC(NC(=O)C=C1SCC(=O)N1C)C1=NN=N[N-]1	REAL300019718573	1	38	-1.0	-46.88	324.84	2.65	-44.23
CC(C)CC(NC(=O)CCC(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019718574	0	45	-1.0	-49.39	382.64	4.08	-45.31
CC(C)CC(NC(=O)CCC(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019718574	1	45	-1.0	-49.38	382.70	4.10	-45.28
CC1=CC=CC2=NC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)N21	REAL300019718575	0	41	-1.0	-50.47	329.74	4.53	-45.94
CC1=CC=CC2=NC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)N21	REAL300019718575	1	41	-1.0	-50.49	329.68	4.52	-45.97
CC(=CC1=CC=NC=C1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718576	0	41	-1.0	-46.98	333.56	4.17	-42.81
CC(=CC1=CC=NC=C1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718576	1	41	-1.0	-47.00	333.62	4.20	-42.80
CC(=CC1=CC=CC=N1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718577	0	41	-1.0	-47.65	335.01	5.29	-42.36
CC(=CC1=CC=CC=N1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718577	1	41	-1.0	-47.62	335.07	5.30	-42.32
CC(=CC1=CC=CN=C1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718578	0	41	-1.0	-46.74	333.36	4.20	-42.54
CC(=CC1=CC=CN=C1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718578	1	41	-1.0	-46.72	333.41	4.22	-42.50
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)NC(=O)C2=CC=CC=C21	REAL300019718579	0	44	-1.0	-45.75	354.54	4.10	-41.65
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)NC(=O)C2=CC=CC=C21	REAL300019718579	1	44	-1.0	-45.74	354.60	4.11	-41.63
CC(C)CC(NC(=O)CC(C)N1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718580	0	50	-1.0	-50.91	382.47	5.39	-45.52
CC(C)CC(NC(=O)CC(C)N1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718580	1	50	-1.0	-50.91	382.52	5.41	-45.50
CCN1C(=O)NC2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=C21	REAL300019718581	0	45	-1.0	-49.22	371.27	4.00	-45.22
CCN1C(=O)NC2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=C21	REAL300019718581	1	45	-1.0	-49.24	371.33	4.01	-45.23
CSC1=CC(Br)=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718582	0	39	-1.0	-46.09	348.48	5.80	-40.29
CSC1=CC(Br)=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718582	1	39	-1.0	-46.09	348.54	5.81	-40.28
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC(NC2CC2)=N1	REAL300019718583	0	46	-1.0	-46.20	374.27	4.34	-41.86
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC(NC2CC2)=N1	REAL300019718583	1	46	-1.0	-46.16	374.33	4.35	-41.81
COC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300019718584	0	42	-1.0	-47.02	359.16	5.67	-41.35
COC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300019718584	1	42	-1.0	-47.04	359.22	5.68	-41.36
CC1=CC=C(C2=NC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)S2)C=C1C	REAL300019718585	0	47	-1.0	-46.64	396.76	6.31	-40.33
CC1=CC=C(C2=NC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)S2)C=C1C	REAL300019718585	1	47	-1.0	-46.64	396.70	6.30	-40.34
CC(C)CC(NC(=O)CCC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300019718586	0	44	-1.0	-44.54	377.13	4.74	-39.80
CC(C)CC(NC(=O)CCC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300019718586	1	44	-1.0	-44.55	377.19	4.76	-39.79
CC(C)CC(NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300019718587	0	44	-1.0	-43.72	373.30	4.44	-39.28
CC(C)CC(NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300019718587	1	44	-1.0	-43.71	373.35	4.45	-39.26
CC(C)CC(NC(=O)C1CCC2(CC2(F)F)CC1)C1=N[N-]N=N1	REAL300019718588	0	45	-1.0	-44.68	360.58	5.91	-38.77
CC(C)CC(NC(=O)C1CCC2(CC2(F)F)CC1)C1=NN=N[N-]1	REAL300019718588	1	45	-1.0	-44.71	360.63	5.93	-38.78
CC(C)CC(NC(=O)C1=CC=C(C(F)F)C=C1F)C1=N[N-]N=N1	REAL300019718589	0	38	-1.0	-53.37	330.19	5.16	-48.21
CC(C)CC(NC(=O)C1=CC=C(C(F)F)C=C1F)C1=NN=N[N-]1	REAL300019718589	1	38	-1.0	-53.33	330.25	5.18	-48.15
CC(C)CC(NC(=O)CC1OCC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019718590	0	43	-1.0	-46.77	366.98	5.29	-41.48
CC(C)CC(NC(=O)CC1OCC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019718590	1	43	-1.0	-46.77	367.04	5.30	-41.47
CC(C)CC(NC(=O)C1=CC=C(OCC(F)(F)F)O1)C1=N[N-]N=N1	REAL300019718591	0	39	-1.0	-43.28	350.08	4.05	-39.23
CC(C)CC(NC(=O)C1=CC=C(OCC(F)(F)F)O1)C1=NN=N[N-]1	REAL300019718591	1	39	-1.0	-43.24	350.14	4.06	-39.18
CC(C)CC(NC(=O)C1=CC(F)=C(Cl)C(N)=C1Cl)C1=N[N-]N=N1	REAL300019718592	0	37	-1.0	-42.32	336.96	3.29	-39.03
CC(C)CC(NC(=O)C1=CC(F)=C(Cl)C(N)=C1Cl)C1=NN=N[N-]1	REAL300019718592	1	37	-1.0	-42.30	337.02	3.30	-39.00
CC(C)CC(NC(=O)CNC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019718593	0	46	-1.0	-50.93	389.69	0.65	-50.28
CC(C)CC(NC(=O)CNC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019718593	1	46	-1.0	-50.95	389.74	0.68	-50.27
CC(C)CC(NC(=O)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)C1=N[N-]N=N1	REAL300019718594	0	37	-1.0	-42.44	355.67	6.10	-36.34
CC(C)CC(NC(=O)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)C1=NN=N[N-]1	REAL300019718594	1	37	-1.0	-42.49	355.73	6.11	-36.38
CC(C)CC(NC(=O)C1=CSC(N2CCCCC2)=N1)C1=NN=N[N-]1	REAL300019718595	0	46	-1.0	-45.70	376.76	3.66	-42.04
CC(C)CC(NC(=O)C1=CSC(N2CCCCC2)=N1)C1=N[N-]N=N1	REAL300019718595	1	46	-1.0	-45.71	376.70	3.65	-42.06
CC(C)CC(NC(=O)C1=NOC(C2=CC=CC(O)=C2)=C1)C1=N[N-]N=N1	REAL300019718596	0	42	-1.0	-45.81	361.11	2.38	-43.43
CC(C)CC(NC(=O)C1=NOC(C2=CC=CC(O)=C2)=C1)C1=NN=N[N-]1	REAL300019718596	1	42	-1.0	-45.84	361.16	2.40	-43.44
CC(C)CC(NC(=O)C1=CC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718597	0	40	-1.0	-47.58	332.40	4.69	-42.89
CC(C)CC(NC(=O)C1=CC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718597	1	40	-1.0	-47.62	332.46	4.71	-42.91
CC(C)CC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019718598	0	53	-1.0	-46.63	410.53	5.13	-41.50
CC(C)CC(NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019718598	1	53	-1.0	-46.63	410.59	5.15	-41.48
CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300019718599	0	49	-1.0	-56.47	411.79	0.81	-55.66
CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300019718599	1	49	-1.0	-56.47	411.85	0.83	-55.64
CC(C)CC(NC(=O)CNC1=CC=C(S(N)(=O)=O)C=C1F)C1=N[N-]N=N1	REAL300019718600	0	45	-1.0	-52.31	388.64	-1.82	-54.13
CC(C)CC(NC(=O)CNC1=CC=C(S(N)(=O)=O)C=C1F)C1=NN=N[N-]1	REAL300019718600	1	45	-1.0	-52.33	388.70	-1.80	-54.13
CC(C)CC(NC(=O)C1=CC=NC2=C1NC(=O)N2)C1=N[N-]N=N1	REAL300019718601	0	38	-1.0	-48.62	320.35	0.39	-48.23
CC(C)CC(NC(=O)C1=CC=NC2=C1NC(=O)N2)C1=NN=N[N-]1	REAL300019718601	1	38	-1.0	-48.68	320.41	0.40	-48.28
CC(C)CC(NC(=O)C1=C2N=CNC2=CN=C1)C1=NN=N[N-]1	REAL300019718602	0	37	-1.0	-58.24	311.78	2.19	-56.05
CC(C)CC(NC(=O)C1=C2N=CNC2=CN=C1)C1=N[N-]N=N1	REAL300019718602	1	37	-1.0	-58.27	311.73	2.17	-56.10
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=N[N-]N=N1	REAL300019718603	0	54	0.0	-64.15	429.22	5.29	-58.86
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=NN=N[N-]1	REAL300019718603	1	54	0.0	-64.13	429.28	5.30	-58.83
CC(C)CC(NC(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300019718604	0	43	-1.0	-47.62	360.70	4.57	-43.05
CC(C)CC(NC(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300019718604	1	43	-1.0	-47.62	360.76	4.58	-43.04
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)SC(C2=CC=CC=C2F)=N1	REAL300019718605	0	44	-1.0	-49.39	379.97	5.97	-43.42
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)SC(C2=CC=CC=C2F)=N1	REAL300019718605	1	44	-1.0	-49.42	379.91	5.96	-43.46
CC(C)CC(NC(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=NN=N[N-]1	REAL300019718606	0	40	-1.0	-46.18	344.23	6.12	-40.06
CC(C)CC(NC(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=N[N-]N=N1	REAL300019718606	1	40	-1.0	-46.21	344.17	6.11	-40.10
CC(C)CC(NC(=O)C1=C2N=CSC2=CC=C1)C1=NN=N[N-]1	REAL300019718607	0	37	-1.0	-55.93	321.64	3.84	-52.09
CC(C)CC(NC(=O)C1=C2N=CSC2=CC=C1)C1=N[N-]N=N1	REAL300019718607	1	37	-1.0	-55.96	321.58	3.83	-52.13
CC(C)CC(NC(=O)C1=COC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019718608	0	38	-1.0	-54.30	338.11	-0.22	-54.52
CC(C)CC(NC(=O)C1=COC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019718608	1	38	-1.0	-54.31	338.17	-0.21	-54.52
CC(C)CC(NC(=O)C1=COC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL300019718609	0	38	-1.0	-51.04	336.92	5.02	-46.02
CC(C)CC(NC(=O)C1=COC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL300019718609	1	38	-1.0	-51.06	336.98	5.03	-46.03
CC(C)CC(NC(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019718610	0	42	-1.0	-50.28	351.40	6.45	-43.83
CC(C)CC(NC(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019718610	1	42	-1.0	-50.24	351.34	6.43	-43.81
CC(C)CC(NC(=O)C1=CC=NC(NC2CCC2)=C1)C1=N[N-]N=N1	REAL300019718611	0	46	-1.0	-46.48	369.36	4.25	-42.23
CC(C)CC(NC(=O)C1=CC=NC(NC2CCC2)=C1)C1=NN=N[N-]1	REAL300019718611	1	46	-1.0	-46.49	369.42	4.27	-42.22
CC(C)CC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019718612	0	49	-1.0	-44.39	397.11	5.11	-39.28
CC(C)CC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019718612	1	49	-1.0	-44.42	397.06	5.08	-39.34
CC(C)CC(NC(=O)[C@H]1C[C@@H](NC(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019718613	0	53	-1.0	-47.28	435.76	4.87	-42.41
CC(C)CC(NC(=O)[C@H]1C[C@@H](NC(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019718613	1	53	-1.0	-47.24	435.82	4.89	-42.35
CC(C)CC(NC(=O)C1CCS(=O)(=O)N1)C1=N[N-]N=N1	REAL300019718614	0	37	-1.0	-59.63	314.87	-2.53	-62.16
CC(C)CC(NC(=O)C1CCS(=O)(=O)N1)C1=NN=N[N-]1	REAL300019718614	1	37	-1.0	-59.59	314.93	-2.51	-62.10
CC(C)CC(NC(=O)C1CCC(C(C)(C)O)CC1)C1=N[N-]N=N1	REAL300019718615	0	51	-1.0	-48.28	373.33	2.95	-45.33
CC(C)CC(NC(=O)C1CCC(C(C)(C)O)CC1)C1=NN=N[N-]1	REAL300019718615	1	51	-1.0	-48.31	373.37	2.95	-45.36
CC(C)CC(NC(=O)C=CC1CCCCCC1)C1=N[N-]N=N1	REAL300019718616	0	48	-1.0	-45.44	365.14	6.18	-39.26
CC(C)CC(NC(=O)C=CC1CCCCCC1)C1=NN=N[N-]1	REAL300019718616	1	48	-1.0	-45.47	365.20	6.21	-39.26
CC(C)CC(NC(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019718617	0	40	-1.0	-57.54	343.17	5.28	-52.26
CC(C)CC(NC(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019718617	1	40	-1.0	-57.58	343.23	5.29	-52.29
CC(C)CC(NC(=O)C1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300019718618	0	45	-1.0	-45.18	355.74	6.52	-38.66
CC(C)CC(NC(=O)C1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019718618	1	45	-1.0	-45.20	355.80	6.53	-38.67
CC(C)CC(NC(=O)COCC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718619	0	48	-1.0	-48.58	388.91	6.53	-42.05
CC(C)CC(NC(=O)COCC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718619	1	48	-1.0	-48.55	388.97	6.54	-42.01
CC(C)CC(NC(=O)COCCC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019718620	0	45	-1.0	-49.66	378.47	6.12	-43.54
CC(C)CC(NC(=O)COCCC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019718620	1	45	-1.0	-49.65	378.52	6.14	-43.51
CC(C)CC(NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718621	0	58	-1.0	-46.11	445.55	4.27	-41.84
CC(C)CC(NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718621	1	58	-1.0	-46.10	445.61	4.29	-41.81
CC(C)CC(NC(=O)C1CCOC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL300019718622	0	43	-1.0	-45.38	362.00	4.99	-40.39
CC(C)CC(NC(=O)C1CCOC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL300019718622	1	43	-1.0	-45.37	362.07	5.00	-40.37
CNC(=O)NC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(Cl)=C1	REAL300019718623	0	44	-1.0	-56.40	375.12	2.20	-54.20
CNC(=O)NC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(Cl)=C1	REAL300019718623	1	44	-1.0	-56.40	375.18	2.22	-54.18
CC(C)CC(NC(=O)CN1N=C2CCCCN2C1=O)C1=N[N-]N=N1	REAL300019718624	0	45	-1.0	-56.41	366.63	4.21	-52.20
CC(C)CC(NC(=O)CN1N=C2CCCCN2C1=O)C1=NN=N[N-]1	REAL300019718624	1	45	-1.0	-56.39	366.69	4.23	-52.16
CC(C)CC(NC(=O)C1=CC(F)=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL300019718625	0	40	-1.0	-47.76	334.53	4.73	-43.03
CC(C)CC(NC(=O)C1=CC(F)=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL300019718625	1	40	-1.0	-47.77	334.47	4.72	-43.05
CC(C)CC(NC(=O)C1=CC2=C(S1)C(=O)NC=C2)C1=N[N-]N=N1	REAL300019718626	0	38	-1.0	-51.42	335.92	2.53	-48.89
CC(C)CC(NC(=O)C1=CC2=C(S1)C(=O)NC=C2)C1=NN=N[N-]1	REAL300019718626	1	38	-1.0	-51.38	335.98	2.54	-48.84
CC(C)CC(NC(=O)C1=CN=C(C2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300019718627	0	43	-1.0	-46.09	372.99	6.45	-39.64
CC(C)CC(NC(=O)C1=CN=C(C2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300019718627	1	43	-1.0	-46.10	372.94	6.44	-39.66
CC1=NN=NN1C1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718628	0	43	-1.0	-51.33	358.84	4.23	-47.10
CC1=NN=NN1C1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718628	1	43	-1.0	-51.37	358.92	4.24	-47.13
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718629	0	50	-1.0	-48.44	421.57	7.88	-40.56
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718629	1	50	-1.0	-48.39	421.63	7.90	-40.49
CC1=NN(CC2CC2)C(C)=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718630	0	51	-1.0	-49.13	410.44	6.01	-43.12
CC1=NN(CC2CC2)C(C)=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718630	1	51	-1.0	-49.07	410.50	6.02	-43.05
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718631	0	56	-1.0	-52.37	439.84	7.90	-44.47
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718631	1	56	-1.0	-52.39	439.90	7.92	-44.47
CC(C)CC(NC(=O)CCCC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019718632	0	54	-1.0	-48.14	421.72	8.91	-39.23
CC(C)CC(NC(=O)CCCC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019718632	1	54	-1.0	-48.17	421.78	8.93	-39.24
CC(C)CC(NC(=O)C1=CC=CC2=C1OCCCO2)C1=N[N-]N=N1	REAL300019718633	0	44	-1.0	-51.92	352.29	5.18	-46.74
CC(C)CC(NC(=O)C1=CC=CC2=C1OCCCO2)C1=NN=N[N-]1	REAL300019718633	1	44	-1.0	-51.92	352.34	5.19	-46.73
CSC1=CC=CN=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718634	0	38	-1.0	-50.84	323.59	3.48	-47.36
CSC1=CC=CN=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718634	1	38	-1.0	-50.84	323.53	3.47	-47.37
CC(C)CC(NC(=O)C1=NSC=C1Br)C1=NN=N[N-]1	REAL300019718635	0	31	-1.0	-46.26	295.46	2.28	-43.98
CC(C)CC(NC(=O)C1=NSC=C1Br)C1=N[N-]N=N1	REAL300019718635	1	31	-1.0	-46.33	295.40	2.27	-44.06
CC(C)CC(NC(=O)C(CC1CCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL300019718636	0	45	-1.0	-43.62	364.64	4.00	-39.62
CC(C)CC(NC(=O)C(CC1CCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL300019718636	1	45	-1.0	-43.62	364.70	4.02	-39.60
CCC1=NC=CN1C(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718637	0	47	-1.0	-44.65	374.45	5.32	-39.33
CCC1=NC=CN1C(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718637	1	47	-1.0	-44.66	374.51	5.34	-39.32
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718637	1	48	0.0	-54.84	377.66	5.79	-49.05
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718637	1	48	0.0	-54.85	377.71	5.80	-49.05
CCCOC1=CC=NC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL300019718638	0	46	-1.0	-51.10	381.78	2.07	-49.03
CCCOC1=CC=NC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL300019718638	1	46	-1.0	-51.14	381.83	2.08	-49.06
CC(C)CC(NC(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=NN=N[N-]1	REAL300019718639	0	38	-1.0	-50.96	336.53	5.97	-44.99
CC(C)CC(NC(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=N[N-]N=N1	REAL300019718639	1	38	-1.0	-50.92	336.47	5.95	-44.97
CC(C)CC(NC(=O)CC1=CN2CCCCC2=N1)C1=N[N-]N=N1	REAL300019718640	0	45	-1.0	-59.07	359.12	5.15	-53.92
CC(C)CC(NC(=O)CC1=CN2CCCCC2=N1)C1=NN=N[N-]1	REAL300019718640	1	45	-1.0	-59.00	359.18	5.16	-53.84
CSC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL300019718641	0	38	-1.0	-45.81	332.26	3.62	-42.19
CSC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL300019718641	1	38	-1.0	-45.81	332.20	3.61	-42.20
CC(C)CC(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718642	0	60	0.0	-65.80	451.66	3.66	-62.14
CC(C)CC(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718642	1	60	0.0	-65.82	451.72	3.67	-62.15
COC1=CC=C(CN2N=NC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=C2C)C=C1	REAL300019718643	0	51	-1.0	-49.24	415.91	4.01	-45.23
COC1=CC=C(CN2N=NC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=C2C)C=C1	REAL300019718643	1	51	-1.0	-49.23	415.96	4.03	-45.20
CC(C)CC(NC(=O)CC1(CN2C=NN=N2)CCCCC1)C1=NN=N[N-]1	REAL300019718644	0	52	-1.0	-40.28	388.86	5.75	-34.53
CC(C)CC(NC(=O)CC1(CN2C=NN=N2)CCCCC1)C1=N[N-]N=N1	REAL300019718644	1	52	-1.0	-40.27	388.81	5.73	-34.54
CC(C)CC(NC(=O)CC1=CC=C(Br)C=C1C#N)C1=N[N-]N=N1	REAL300019718645	0	39	-1.0	-44.08	356.18	5.67	-38.41
CC(C)CC(NC(=O)CC1=CC=C(Br)C=C1C#N)C1=NN=N[N-]1	REAL300019718645	1	39	-1.0	-44.09	356.22	5.69	-38.40
CC(C)CC(NC(=O)C1=CN=C(C2=CC=CC(Cl)=C2)S1)C1=NN=N[N-]1	REAL300019718646	0	41	-1.0	-45.08	375.08	5.61	-39.47
CC(C)CC(NC(=O)C1=CN=C(C2=CC=CC(Cl)=C2)S1)C1=N[N-]N=N1	REAL300019718646	1	41	-1.0	-45.09	375.02	5.60	-39.49
CC(C)CC(NC(=O)C1=CN=C(C2=C(F)C=CC=C2F)S1)C1=NN=N[N-]1	REAL300019718647	0	41	-1.0	-50.40	366.52	5.34	-45.06
CC(C)CC(NC(=O)C1=CN=C(C2=C(F)C=CC=C2F)S1)C1=N[N-]N=N1	REAL300019718647	1	41	-1.0	-50.44	366.46	5.33	-45.11
CC(C)CC(NC(=O)C(C)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019718648	0	41	-1.0	-44.58	348.78	5.92	-38.66
CC(C)CC(NC(=O)C(C)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019718648	1	41	-1.0	-44.59	348.84	5.93	-38.66
COC(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C(F)(F)F	REAL300019718649	0	38	-1.0	-42.24	324.07	2.76	-39.48
COC(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C(F)(F)F	REAL300019718649	1	38	-1.0	-42.22	324.13	2.77	-39.45
CC(C)CC(NC(=O)C1=CC=C(Br)C(OC(C)C)=C1)C1=N[N-]N=N1	REAL300019718650	0	45	-1.0	-44.68	381.20	5.71	-38.97
CC(C)CC(NC(=O)C1=CC=C(Br)C(OC(C)C)=C1)C1=NN=N[N-]1	REAL300019718650	1	45	-1.0	-44.69	381.25	5.73	-38.96
CC(C)CC(NC(=O)CC1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL300019718651	0	52	-1.0	-46.02	369.91	6.60	-39.42
CC(C)CC(NC(=O)CC1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL300019718651	1	52	-1.0	-46.05	369.97	6.61	-39.44
CC(C)CC(NC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718652	0	49	-1.0	-51.04	392.92	2.35	-48.69
CC(C)CC(NC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718652	1	49	-1.0	-51.01	392.98	2.37	-48.64
CC(C)CC(NC(=O)CN1C=NC(C(N)=O)=N1)C1=NN=N[N-]1	REAL300019718653	0	38	-1.0	-66.40	329.09	-0.30	-66.70
CC(C)CC(NC(=O)CN1C=NC(C(N)=O)=N1)C1=N[N-]N=N1	REAL300019718653	1	38	-1.0	-66.40	329.03	-0.32	-66.72
CC1=CC=CC(C2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)N2C)=C1	REAL300019718654	0	49	-1.0	-49.05	389.40	7.66	-41.39
CC1=CC=CC(C2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)N2C)=C1	REAL300019718654	1	49	-1.0	-49.02	389.46	7.68	-41.34
CC(C)CC(NC(=O)C1=CC=CC(N2C=CNC2=O)=C1)C1=N[N-]N=N1	REAL300019718655	0	43	-1.0	-50.93	354.75	4.31	-46.62
CC(C)CC(NC(=O)C1=CC=CC(N2C=CNC2=O)=C1)C1=NN=N[N-]1	REAL300019718655	1	43	-1.0	-50.92	354.81	4.33	-46.59
CC(C)CC(NC(=O)C1=CC=C(N2C=CNC2=O)C=C1)C1=N[N-]N=N1	REAL300019718656	0	43	-1.0	-57.84	354.63	4.35	-53.49
CC(C)CC(NC(=O)C1=CC=C(N2C=CNC2=O)C=C1)C1=NN=N[N-]1	REAL300019718656	1	43	-1.0	-57.81	354.69	4.36	-53.45
CC(C)CC(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718657	0	51	-1.0	-51.62	414.08	2.68	-48.94
CC(C)CC(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718657	1	51	-1.0	-51.63	414.14	2.70	-48.93
CC(C)CC(NC(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300019718658	0	41	-1.0	-49.32	355.73	3.94	-45.38
CC(C)CC(NC(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300019718658	1	41	-1.0	-49.30	355.79	3.95	-45.35
CC(C)CC(NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718659	0	53	-1.0	-53.74	409.27	6.40	-47.34
CC(C)CC(NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718659	1	53	-1.0	-53.79	409.33	6.42	-47.37
CC(C)CC(NC(=O)C1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300019718660	0	42	-1.0	-46.93	348.72	1.99	-44.94
CC(C)CC(NC(=O)C1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300019718660	1	42	-1.0	-46.97	348.66	1.98	-44.99
CC(C)CC(NC(=O)CC12CCCCC1C2(F)F)C1=N[N-]N=N1	REAL300019718661	0	45	-1.0	-41.81	352.86	5.63	-36.18
CC(C)CC(NC(=O)CC12CCCCC1C2(F)F)C1=NN=N[N-]1	REAL300019718661	1	45	-1.0	-41.84	352.91	5.65	-36.19
CC1=CC(Br)=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1C	REAL300019718662	0	41	-1.0	-43.88	345.48	6.03	-37.85
CC1=CC(Br)=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1C	REAL300019718662	1	41	-1.0	-43.82	345.54	6.05	-37.77
CC(C)CC(NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=N[N-]N=N1	REAL300019718663	0	51	-1.0	-46.27	384.95	7.02	-39.25
CC(C)CC(NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=NN=N[N-]1	REAL300019718663	1	51	-1.0	-46.29	385.01	7.04	-39.25
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718664	0	49	-1.0	-48.17	394.00	6.29	-41.88
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718664	1	49	-1.0	-48.16	394.05	6.30	-41.86
CC(C)CC(NC(=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019718665	0	52	-1.0	-49.46	427.35	8.16	-41.30
CC(C)CC(NC(=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019718665	1	52	-1.0	-49.48	427.40	8.19	-41.29
CC(C)CC(NC(=O)C1=C2C(Cl)=CC=CN2N=C1)C1=NN=N[N-]1	REAL300019718666	0	38	-1.0	-53.13	329.09	4.46	-48.67
CC(C)CC(NC(=O)C1=C2C(Cl)=CC=CN2N=C1)C1=N[N-]N=N1	REAL300019718666	1	38	-1.0	-53.15	329.03	4.44	-48.71
COC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1C#N	REAL300019718667	0	40	-1.0	-46.07	341.17	3.90	-42.17
COC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1C#N	REAL300019718667	1	40	-1.0	-46.08	341.23	3.92	-42.16
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CC(Br)=C1F	REAL300019718668	0	38	-1.0	-42.95	332.94	5.55	-37.40
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CC(Br)=C1F	REAL300019718668	1	38	-1.0	-42.91	333.00	5.57	-37.34
CC1=CC2=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)N=CN2C=C1	REAL300019718669	0	41	-1.0	-57.30	341.26	6.12	-51.18
CC1=CC2=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)N=CN2C=C1	REAL300019718669	1	41	-1.0	-57.32	341.20	6.11	-51.21
CC(C)CC(NC(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300019718670	0	37	-1.0	-47.81	342.42	4.12	-43.69
CC(C)CC(NC(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300019718670	1	37	-1.0	-47.85	342.37	4.11	-43.74
CC(C)CC(NC(=O)C1=CC=C(F)C2=CC=NC=C12)C1=NN=N[N-]1	REAL300019718671	0	40	-1.0	-47.95	333.78	4.72	-43.23
CC(C)CC(NC(=O)C1=CC=C(F)C2=CC=NC=C12)C1=N[N-]N=N1	REAL300019718671	1	40	-1.0	-47.95	333.73	4.70	-43.25
CC(C)CC(NC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1=NN=N[N-]1	REAL300019718672	0	38	-1.0	-48.17	355.60	5.36	-42.81
CC(C)CC(NC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1=N[N-]N=N1	REAL300019718672	1	38	-1.0	-48.13	355.54	5.35	-42.78
CC(C)CC(NC(=O)CCC1=CSC=C1Br)C1=N[N-]N=N1	REAL300019718673	0	38	-1.0	-43.91	346.85	5.17	-38.74
CC(C)CC(NC(=O)CCC1=CSC=C1Br)C1=NN=N[N-]1	REAL300019718673	1	38	-1.0	-43.92	346.90	5.18	-38.74
CC(C)CC(NC(=O)CC(N1C=CC=N1)C(F)(F)F)C1=NN=N[N-]1	REAL300019718674	0	41	-1.0	-47.41	348.84	3.91	-43.50
CC(C)CC(NC(=O)CC(N1C=CC=N1)C(F)(F)F)C1=N[N-]N=N1	REAL300019718674	1	41	-1.0	-47.41	348.79	3.89	-43.52
CC(C)CC(NC(=O)CC1(C#N)CCCCC1)C1=N[N-]N=N1	REAL300019718675	0	45	-1.0	-58.05	348.77	4.85	-53.20
CC(C)CC(NC(=O)CC1(C#N)CCCCC1)C1=NN=N[N-]1	REAL300019718675	1	45	-1.0	-58.07	348.83	4.87	-53.20
CC(C)CC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019718676	0	41	-1.0	-50.48	371.90	2.33	-48.15
CC(C)CC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019718676	1	41	-1.0	-50.50	371.95	2.35	-48.15
CC(C)CC(NC(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=NN=N[N-]1	REAL300019718677	0	37	-1.0	-48.09	335.92	4.09	-44.00
CC(C)CC(NC(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=N[N-]N=N1	REAL300019718677	1	37	-1.0	-48.09	335.87	4.07	-44.02
CC(C)CC(NC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019718678	0	49	-1.0	-47.26	399.93	5.95	-41.31
CC(C)CC(NC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019718678	1	49	-1.0	-47.29	399.98	5.97	-41.32
CC1=CC(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300019718679	0	46	-1.0	-45.20	391.98	5.89	-39.31
CC1=CC(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300019718679	1	46	-1.0	-45.22	392.04	5.91	-39.31
COC(=O)C1=CC=C2CCCC(CC(=O)NC(CC(C)C)C3=N[N-]N=N3)C2=C1	REAL300019718680	0	54	-1.0	-51.39	425.07	7.77	-43.62
COC(=O)C1=CC=C2CCCC(CC(=O)NC(CC(C)C)C3=NN=N[N-]3)C2=C1	REAL300019718680	1	54	-1.0	-51.41	425.13	7.79	-43.62
COC1=NOC(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718681	0	41	-1.0	-46.14	345.45	1.22	-44.92
COC1=NOC(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718681	1	41	-1.0	-46.13	345.51	1.23	-44.90
CC(C)CC(NC(=O)C1=C2C=CNC2=NC=N1)C1=NN=N[N-]1	REAL300019718682	0	37	-1.0	-49.11	313.13	3.36	-45.75
CC(C)CC(NC(=O)C1=C2C=CNC2=NC=N1)C1=N[N-]N=N1	REAL300019718682	1	37	-1.0	-49.10	313.07	3.34	-45.76
CC(C)CC(NC(=O)C1CCC(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019718683	0	56	-1.0	-52.39	420.34	6.94	-45.45
CC(C)CC(NC(=O)C1CCC(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019718683	1	56	-1.0	-52.38	420.39	6.96	-45.42
CC(C)CC(NC(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=NN=N[N-]1	REAL300019718684	0	46	-1.0	-54.13	371.59	7.08	-47.05
CC(C)CC(NC(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=N[N-]N=N1	REAL300019718684	1	46	-1.0	-54.11	371.54	7.06	-47.05
CCCCCC1=NNC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718685	0	47	-1.0	-43.65	381.24	4.31	-39.34
CCCCCC1=NNC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718685	1	47	-1.0	-43.69	381.30	4.33	-39.36
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)N1C1CCOCC1	REAL300019718686	0	53	-1.0	-49.20	401.33	5.35	-43.85
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)N1C1CCOCC1	REAL300019718686	1	53	-1.0	-49.20	401.39	5.37	-43.83
CC(C)CC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=NN=N[N-]1	REAL300019718687	0	41	-1.0	-41.47	356.63	5.24	-36.23
CC(C)CC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=N[N-]N=N1	REAL300019718687	1	41	-1.0	-41.42	356.57	5.22	-36.20
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC(NCC(F)(F)F)=N1	REAL300019718688	0	45	-1.0	-44.92	384.06	3.95	-40.97
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC(NCC(F)(F)F)=N1	REAL300019718688	1	45	-1.0	-44.92	384.12	3.97	-40.95
CC1=CC([N+](=O)[O-])=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL300019718689	0	39	-1.0	-46.83	338.86	3.72	-43.11
CC1=CC([N+](=O)[O-])=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL300019718689	1	39	-1.0	-46.79	338.92	3.74	-43.05
CC(C)CC(NC(=O)C1CC(C)(C)CC(C)(C)C1)C1=N[N-]N=N1	REAL300019718690	0	53	-1.0	-46.45	388.09	6.28	-40.17
CC(C)CC(NC(=O)C1CC(C)(C)CC(C)(C)C1)C1=NN=N[N-]1	REAL300019718690	1	53	-1.0	-46.46	388.14	6.29	-40.17
CC(C)CC(NC(=O)CN1C=C(C2CC2)C=N1)C1=NN=N[N-]1	REAL300019718691	0	42	-1.0	-54.93	347.77	4.45	-50.48
CC(C)CC(NC(=O)CN1C=C(C2CC2)C=N1)C1=N[N-]N=N1	REAL300019718691	1	42	-1.0	-54.93	347.72	4.43	-50.50
CC(C)CC(NC(=O)C1=CC=CC2=C1COCC2)C1=N[N-]N=N1	REAL300019718692	0	43	-1.0	-49.48	339.57	4.34	-45.14
CC(C)CC(NC(=O)C1=CC=CC2=C1COCC2)C1=NN=N[N-]1	REAL300019718692	1	43	-1.0	-49.48	339.63	4.35	-45.13
CC(C)CC(NC(=O)C1=C(Br)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019718693	0	44	-1.0	-46.31	366.87	4.16	-42.15
CC(C)CC(NC(=O)C1=C(Br)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019718693	1	44	-1.0	-46.34	366.82	4.14	-42.20
CC(C)CC(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718694	0	51	-1.0	-50.24	395.66	4.23	-46.01
CC(C)CC(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718694	1	51	-1.0	-50.24	395.72	4.24	-46.00
COC(=O)C1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)O1	REAL300019718695	0	41	-1.0	-44.33	349.49	3.72	-40.61
COC(=O)C1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)O1	REAL300019718695	1	41	-1.0	-44.33	349.55	3.74	-40.59
CC(C)CC(NC(=O)C(CO)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718696	0	42	-1.0	-48.29	340.83	2.53	-45.76
CC(C)CC(NC(=O)C(CO)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718696	1	42	-1.0	-48.27	340.89	2.54	-45.73
CC(C)CC(NC(=O)C1=CC(Cl)=C(Br)C=N1)C1=NN=N[N-]1	REAL300019718697	0	34	-1.0	-41.80	325.16	3.51	-38.29
CC(C)CC(NC(=O)C1=CC(Cl)=C(Br)C=N1)C1=N[N-]N=N1	REAL300019718697	1	34	-1.0	-41.79	325.10	3.50	-38.29
CC(C)CC(NC(=O)C1=C2N=C(CO)NC2=CC=C1)C1=N[N-]N=N1	REAL300019718698	0	42	-1.0	-59.43	349.14	0.57	-58.86
CC(C)CC(NC(=O)C1=C2N=C(CO)NC2=CC=C1)C1=NN=N[N-]1	REAL300019718698	1	42	-1.0	-59.41	349.20	0.58	-58.83
CC(C)CC(NC(=O)CC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718699	0	43	-1.0	-51.44	354.08	5.20	-46.24
CC(C)CC(NC(=O)CC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718699	1	43	-1.0	-51.42	354.13	5.22	-46.20
CC(=CC(=O)NC(CC(C)C)C1=N[N-]N=N1)CN1CCOCC1	REAL300019718700	0	48	-1.0	-45.39	373.68	1.60	-43.79
CC(=CC(=O)NC(CC(C)C)C1=NN=N[N-]1)CN1CCOCC1	REAL300019718700	1	48	-1.0	-45.39	373.73	1.62	-43.77
CC(C)CC(NC(=O)C1=NN=C(C2=CC=CO2)O1)C1=N[N-]N=N1	REAL300019718701	0	37	-1.0	-46.81	328.07	-1.70	-48.51
CC(C)CC(NC(=O)C1=NN=C(C2=CC=CO2)O1)C1=NN=N[N-]1	REAL300019718701	1	37	-1.0	-46.85	328.12	-1.68	-48.53
CC(C)CC(NC(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=N[N-]N=N1	REAL300019718702	0	38	-1.0	-53.96	330.45	3.89	-50.07
CC(C)CC(NC(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=NN=N[N-]1	REAL300019718702	1	38	-1.0	-53.98	330.51	3.90	-50.08
CC(C)CC(NC(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019718703	0	46	-1.0	-44.90	383.02	5.59	-39.31
CC(C)CC(NC(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019718703	1	46	-1.0	-44.92	383.07	5.61	-39.31
CC(C)CC(NC(=O)C1=CC=CC(SC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019718704	0	39	-1.0	-45.03	347.87	5.63	-39.40
CC(C)CC(NC(=O)C1=CC=CC(SC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019718704	1	39	-1.0	-45.01	347.92	5.65	-39.36
CC1=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)SC(SCC(C)C)=N1	REAL300019718705	0	50	-1.0	-48.27	425.86	6.05	-42.22
CC1=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)SC(SCC(C)C)=N1	REAL300019718705	1	50	-1.0	-48.23	425.92	6.07	-42.16
CC(C)CC(NC(=O)C1=NN2C=CC=NC2=N1)C1=NN=N[N-]1	REAL300019718706	0	36	-1.0	-58.05	312.48	4.34	-53.71
CC(C)CC(NC(=O)C1=NN2C=CC=NC2=N1)C1=N[N-]N=N1	REAL300019718706	1	36	-1.0	-58.10	312.42	4.32	-53.78
CC1=C2C=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)NC2=CC=C1Br	REAL300019718707	0	42	-1.0	-44.56	364.04	5.26	-39.30
CC1=C2C=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)NC2=CC=C1Br	REAL300019718707	1	42	-1.0	-44.60	364.10	5.28	-39.32
COC1=CC=CC=C1C(F)(F)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718708	0	42	-1.0	-46.70	352.84	4.36	-42.34
COC1=CC=CC=C1C(F)(F)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718708	1	42	-1.0	-46.73	352.90	4.37	-42.36
CC1=NNC2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=C12	REAL300019718709	0	41	-1.0	-47.61	339.92	3.50	-44.11
CC1=NNC2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=C12	REAL300019718709	1	41	-1.0	-47.61	339.97	3.52	-44.09
CC(C)CC(NC(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=N[N-]N=N1	REAL300019718710	0	41	-1.0	-49.50	352.68	-0.64	-50.14
CC(C)CC(NC(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=NN=N[N-]1	REAL300019718710	1	41	-1.0	-49.48	352.73	-0.62	-50.10
CC(C)CC(NC(=O)C1=CNC(=S)N1C1CC1)C1=N[N-]N=N1	REAL300019718711	0	40	-1.0	-50.01	336.23	4.39	-45.62
CC(C)CC(NC(=O)C1=CNC(=S)N1C1CC1)C1=NN=N[N-]1	REAL300019718711	1	40	-1.0	-50.02	336.28	4.41	-45.61
CC(C)CC(NC(=O)C=CC1=CC=C(C2OCCO2)O1)C1=N[N-]N=N1	REAL300019718712	0	45	-1.0	-49.83	378.53	3.63	-46.20
CC(C)CC(NC(=O)C=CC1=CC=C(C2OCCO2)O1)C1=NN=N[N-]1	REAL300019718712	1	45	-1.0	-49.83	378.59	3.64	-46.19
CC(C)CC(NC(=O)C1=COC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL300019718713	0	40	-1.0	-47.29	346.74	0.85	-46.44
CC(C)CC(NC(=O)C1=COC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL300019718713	1	40	-1.0	-47.30	346.68	0.83	-46.47
CC(C)CC(NC(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019718714	0	45	-1.0	-50.15	391.62	4.16	-45.99
CC(C)CC(NC(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019718714	1	45	-1.0	-50.17	391.68	4.18	-45.99
CC(C)CC(NC(=O)C1=CC=CC(OCC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019718715	0	54	-1.0	-56.79	432.26	7.07	-49.72
CC(C)CC(NC(=O)C1=CC=CC(OCC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019718715	1	54	-1.0	-56.82	432.31	7.08	-49.74
COCCCN1N=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CC1=O	REAL300019718716	0	47	-1.0	-45.42	390.98	2.00	-43.42
COCCCN1N=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CC1=O	REAL300019718716	1	47	-1.0	-45.43	391.04	2.01	-43.42
CC(C)CC(NC(=O)C1=NN(C(C)(C)C)C=C1Br)C1=NN=N[N-]1	REAL300019718717	0	44	-1.0	-49.32	376.00	4.62	-44.70
CC(C)CC(NC(=O)C1=NN(C(C)(C)C)C=C1Br)C1=N[N-]N=N1	REAL300019718717	1	44	-1.0	-49.38	375.94	4.61	-44.77
CC(C)CC(NC(=O)C1=C2C=CSC2=NC=N1)C1=NN=N[N-]1	REAL300019718718	0	36	-1.0	-44.29	317.24	3.54	-40.75
CC(C)CC(NC(=O)C1=C2C=CSC2=NC=N1)C1=N[N-]N=N1	REAL300019718718	1	36	-1.0	-44.30	317.18	3.52	-40.78
CC(C)CC(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C1=N[N-]N=N1	REAL300019718719	0	63	-1.0	-47.80	470.61	6.10	-41.70
CC(C)CC(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C1=NN=N[N-]1	REAL300019718719	1	63	-1.0	-47.82	470.67	6.10	-41.72
CC(C)CC(NC(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C1=N[N-]N=N1	REAL300019718720	0	49	-1.0	-47.79	395.98	5.67	-42.12
CC(C)CC(NC(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C1=NN=N[N-]1	REAL300019718720	1	49	-1.0	-47.82	396.04	5.69	-42.13
CC(C)CC(NC(=O)C1=CC=C(OCC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019718721	0	54	-1.0	-51.52	432.18	7.08	-44.44
CC(C)CC(NC(=O)C1=CC=C(OCC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019718721	1	54	-1.0	-51.52	432.24	7.10	-44.42
CC1=NN(C(C)CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718722	0	44	-1.0	-44.11	355.01	3.87	-40.24
CC1=NN(C(C)CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718722	1	44	-1.0	-44.09	355.07	3.89	-40.20
CC(C)CC(NC(=O)CCCC1=CC=CN=C1)C1=N[N-]N=N1	REAL300019718723	0	43	-1.0	-49.94	353.80	4.70	-45.24
CC(C)CC(NC(=O)CCCC1=CC=CN=C1)C1=NN=N[N-]1	REAL300019718723	1	43	-1.0	-49.93	353.86	4.71	-45.22
COC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300019718724	0	42	-1.0	-44.55	358.35	4.59	-39.96
COC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300019718724	1	42	-1.0	-44.53	358.40	4.61	-39.92
CC(C)CC(NC(=O)CC1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300019718725	0	45	-1.0	-52.28	369.54	2.43	-49.85
CC(C)CC(NC(=O)CC1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300019718725	1	45	-1.0	-52.31	369.60	2.45	-49.86
CC(C)CC(NC(=O)C1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL300019718726	0	43	-1.0	-48.19	345.25	4.26	-43.93
CC(C)CC(NC(=O)C1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL300019718726	1	43	-1.0	-48.23	345.31	4.28	-43.95
CC(C)CC(NC(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300019718727	0	38	-1.0	-44.74	347.34	6.10	-38.64
CC(C)CC(NC(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300019718727	1	38	-1.0	-44.76	347.40	6.11	-38.65
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718728	0	46	-1.0	-48.91	373.53	5.48	-43.43
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718728	1	46	-1.0	-48.89	373.59	5.50	-43.39
CC(C)CC(NC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL300019718729	0	44	-1.0	-49.38	370.83	5.81	-43.57
CC(C)CC(NC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL300019718729	1	44	-1.0	-49.36	370.89	5.83	-43.53
CC(C)CC(NC(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300019718730	0	54	-1.0	-46.74	417.93	8.69	-38.05
CC(C)CC(NC(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300019718730	1	54	-1.0	-46.74	418.00	8.71	-38.03
COCC1=CN=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718731	0	41	-1.0	-47.18	341.61	2.13	-45.05
COCC1=CN=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718731	1	41	-1.0	-47.16	341.55	2.12	-45.04
CC(C)CC(NC(=O)C1CCC(C(=O)N(C)C)CC1)C1=N[N-]N=N1	REAL300019718732	0	51	-1.0	-58.95	382.73	4.15	-54.80
CC(C)CC(NC(=O)C1CCC(C(=O)N(C)C)CC1)C1=NN=N[N-]1	REAL300019718732	1	51	-1.0	-58.97	382.78	4.17	-54.80
CC1=C(Br)C=NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718733	0	37	-1.0	-42.50	320.75	3.63	-38.87
CC1=C(Br)C=NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718733	1	37	-1.0	-42.50	320.81	3.65	-38.85
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)C1=N[N-]N=N1	REAL300019718734	0	45	-1.0	-50.06	390.03	4.44	-45.62
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)C1=NN=N[N-]1	REAL300019718734	1	45	-1.0	-50.08	390.09	4.45	-45.63
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1)C1=N[N-]N=N1	REAL300019718735	0	48	-1.0	-48.96	386.06	4.43	-44.53
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1)C1=NN=N[N-]1	REAL300019718735	1	48	-1.0	-48.94	386.12	4.45	-44.49
CC(C)CC(NC(=O)CC1=C(Cl)C=CC=C1Br)C1=N[N-]N=N1	REAL300019718736	0	38	-1.0	-45.79	348.26	5.76	-40.03
CC(C)CC(NC(=O)CC1=C(Cl)C=CC=C1Br)C1=NN=N[N-]1	REAL300019718736	1	38	-1.0	-45.85	348.31	5.77	-40.08
COC1=CC=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1Cl	REAL300019718737	0	42	-1.0	-47.16	359.15	4.61	-42.55
COC1=CC=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1Cl	REAL300019718737	1	42	-1.0	-47.17	359.21	4.62	-42.55
CCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019718738	0	54	-1.0	-44.38	414.66	5.36	-39.02
CCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019718738	1	54	-1.0	-44.36	414.72	5.37	-38.99
CC(C)CC(NC(=O)CCC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL300019718739	0	38	-1.0	-47.18	340.62	5.25	-41.93
CC(C)CC(NC(=O)CCC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL300019718739	1	38	-1.0	-47.20	340.68	5.27	-41.93
CC(C)CC(NC(=O)C(CC1COCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL300019718740	0	46	-1.0	-44.59	373.53	2.91	-41.68
CC(C)CC(NC(=O)C(CC1COCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL300019718740	1	46	-1.0	-44.63	373.59	2.92	-41.71
CC(C)CC(NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C1=N[N-]N=N1	REAL300019718741	0	48	-1.0	-48.57	385.27	4.35	-44.22
CC(C)CC(NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C1=NN=N[N-]1	REAL300019718741	1	48	-1.0	-48.55	385.32	4.37	-44.18
CC(C)CC(NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718742	0	55	-1.0	-51.50	425.93	4.93	-46.57
CC(C)CC(NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718742	1	55	-1.0	-51.52	425.99	4.94	-46.58
CC(C)CC(NC(=O)CC1=CC=C(Br)C=C1F)C1=N[N-]N=N1	REAL300019718743	0	38	-1.0	-44.19	342.88	5.49	-38.70
CC(C)CC(NC(=O)CC1=CC=C(Br)C=C1F)C1=NN=N[N-]1	REAL300019718743	1	38	-1.0	-44.20	342.93	5.51	-38.69
CC(C)CC(NC(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=NN=N[N-]1	REAL300019718744	0	41	-1.0	-56.64	348.54	4.19	-52.45
CC(C)CC(NC(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=N[N-]N=N1	REAL300019718744	1	41	-1.0	-56.65	348.48	4.18	-52.47
CC(C)CC(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300019718745	0	54	-1.0	-48.35	414.90	5.53	-42.82
CC(C)CC(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300019718745	1	54	-1.0	-48.33	414.96	5.55	-42.78
CC(=O)C1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300019718746	0	50	-1.0	-48.20	399.75	6.71	-41.49
CC(=O)C1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300019718746	1	50	-1.0	-48.19	399.81	6.74	-41.45
CC(C)CC(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019718747	0	47	-1.0	-47.27	386.65	4.84	-42.43
CC(C)CC(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019718747	1	47	-1.0	-47.23	386.59	4.83	-42.40
CC(C)CC(NC(=O)C1=C2CCCCN2C=C1)C1=N[N-]N=N1	REAL300019718748	0	43	-1.0	-51.42	340.42	5.43	-45.99
CC(C)CC(NC(=O)C1=C2CCCCN2C=C1)C1=NN=N[N-]1	REAL300019718748	1	43	-1.0	-51.43	340.48	5.44	-45.99
CC1=CC=NC(NC2=CC=CC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=C2)=N1	REAL300019718749	0	48	-1.0	-54.36	395.08	7.35	-47.01
CC1=CC=NC(NC2=CC=CC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=C2)=N1	REAL300019718749	1	48	-1.0	-54.40	395.03	7.34	-47.06
CCNC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019718750	0	39	-1.0	-46.93	337.65	2.23	-44.70
CCNC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019718750	1	39	-1.0	-46.95	337.59	2.21	-44.74
CC(C)CC(NC(=O)C(F)(F)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019718751	0	38	-1.0	-41.33	347.04	5.62	-35.71
CC(C)CC(NC(=O)C(F)(F)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019718751	1	38	-1.0	-41.33	346.99	5.60	-35.73
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718752	0	45	-1.0	-47.43	361.82	6.74	-40.69
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718752	1	45	-1.0	-47.41	361.88	6.77	-40.64
CC(C)CC(NC(=O)C1CC2=CC=CC=C2CO1)C1=N[N-]N=N1	REAL300019718753	0	43	-1.0	-49.28	348.53	5.33	-43.95
CC(C)CC(NC(=O)C1CC2=CC=CC=C2CO1)C1=NN=N[N-]1	REAL300019718753	1	43	-1.0	-49.31	348.58	5.35	-43.96
COC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1CCCCC1	REAL300019718754	0	48	-1.0	-49.86	369.11	5.21	-44.65
COC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CCCCC1	REAL300019718754	1	48	-1.0	-49.90	369.17	5.22	-44.68
CC(C)CC(NC(=O)C1=CC=C2OC(C)CC2=C1)C1=N[N-]N=N1	REAL300019718755	0	43	-1.0	-47.21	348.38	4.75	-42.46
CC(C)CC(NC(=O)C1=CC=C2OC(C)CC2=C1)C1=NN=N[N-]1	REAL300019718755	1	43	-1.0	-47.23	348.44	4.77	-42.46
CC(C)CC(NC(=O)C1CC2(C1)CCCCC2)C1=N[N-]N=N1	REAL300019718756	0	48	-1.0	-46.65	362.46	6.10	-40.55
CC(C)CC(NC(=O)C1CC2(C1)CCCCC2)C1=NN=N[N-]1	REAL300019718756	1	48	-1.0	-46.66	362.52	6.11	-40.55
CC(C)CC(NC(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718757	0	41	-1.0	-47.20	349.66	6.95	-40.25
CC(C)CC(NC(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718757	1	41	-1.0	-47.20	349.72	6.96	-40.24
CC(C)CC(NC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12)C1=NN=N[N-]1	REAL300019718758	0	41	-1.0	-56.27	358.55	6.33	-49.94
CC(C)CC(NC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12)C1=N[N-]N=N1	REAL300019718758	1	41	-1.0	-56.24	358.49	6.32	-49.92
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300019718759	0	49	-1.0	-51.34	398.83	5.78	-45.56
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)N1C1=CN(C)N=C1	REAL300019718759	1	49	-1.0	-51.39	398.77	5.77	-45.62
CC1=NC(C2=CC=CS2)=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019718760	0	44	-1.0	-48.18	387.63	5.22	-42.96
CC1=NC(C2=CC=CS2)=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019718760	1	44	-1.0	-48.21	387.58	5.21	-43.00
COCC1=CSC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718761	0	39	-1.0	-47.20	338.93	2.89	-44.31
COCC1=CSC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718761	1	39	-1.0	-47.21	338.99	2.91	-44.30
CC(C)CC(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL300019718762	0	48	0.0	-65.60	379.34	4.83	-60.77
CC(C)CC(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL300019718762	1	48	0.0	-65.60	379.40	4.85	-60.75
CC(C)CC(NC(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300019718763	0	49	-1.0	-51.11	402.86	4.98	-46.13
CC(C)CC(NC(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300019718763	1	49	-1.0	-51.09	402.80	4.97	-46.12
CC(C)CC(NC(=O)C1=CC(N)=NC(Br)=C1)C1=NN=N[N-]1	REAL300019718764	0	36	-1.0	-43.21	323.33	1.70	-41.51
CC(C)CC(NC(=O)C1=CC(N)=NC(Br)=C1)C1=N[N-]N=N1	REAL300019718764	1	36	-1.0	-43.22	323.27	1.69	-41.53
CC(C)CC(NC(=O)C1=NOC2=C1COCC2)C1=N[N-]N=N1	REAL300019718765	0	39	-1.0	-45.90	323.29	1.77	-44.13
CC(C)CC(NC(=O)C1=NOC2=C1COCC2)C1=NN=N[N-]1	REAL300019718765	1	39	-1.0	-45.92	323.35	1.78	-44.14
CC1=CN2C=CC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=CC2=N1	REAL300019718766	0	41	-1.0	-53.15	340.03	5.33	-47.82
CC1=CN2C=CC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=CC2=N1	REAL300019718766	1	41	-1.0	-53.13	340.08	5.34	-47.79
CC(C)CC(NC(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718767	0	49	-1.0	-49.42	403.94	8.24	-41.18
CC(C)CC(NC(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718767	1	49	-1.0	-49.46	404.00	8.26	-41.20
COC1=CC(OC)=C2C(=O)C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=CNC2=C1	REAL300019718768	0	49	-1.0	-58.43	397.20	4.05	-54.38
COC1=CC(OC)=C2C(=O)C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=CNC2=C1	REAL300019718768	1	49	-1.0	-58.45	397.26	4.07	-54.38
CC(C)CC(NC(=O)CC1NC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019718769	0	43	-1.0	-48.39	355.98	2.64	-45.75
CC(C)CC(NC(=O)CC1NC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019718769	1	43	-1.0	-48.40	356.03	2.66	-45.74
CNC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1F	REAL300019718770	0	40	-1.0	-46.13	331.76	3.08	-43.05
CNC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1F	REAL300019718770	1	40	-1.0	-46.17	331.82	3.10	-43.07
CC(C)CC(NC(=O)C(C)C(O)CN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718771	0	58	-1.0	-55.49	446.57	3.63	-51.86
CC(C)CC(NC(=O)C(C)C(O)CN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718771	1	58	-1.0	-55.51	446.63	3.65	-51.86
CC(C)CC(NC(=O)C1CCC2C(C1)C2(F)F)C1=N[N-]N=N1	REAL300019718772	0	42	-1.0	-50.54	333.92	5.14	-45.40
CC(C)CC(NC(=O)C1CCC2C(C1)C2(F)F)C1=NN=N[N-]1	REAL300019718772	1	42	-1.0	-50.53	333.98	5.15	-45.38
CC(C)CC(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL300019718773	0	46	-1.0	-48.56	371.58	0.83	-47.73
CC(C)CC(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL300019718773	1	46	-1.0	-48.58	371.63	0.85	-47.73
COC1=CC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1OC(F)F	REAL300019718774	0	46	-1.0	-54.44	384.68	4.34	-50.10
COC1=CC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1OC(F)F	REAL300019718774	1	46	-1.0	-54.42	384.74	4.36	-50.06
CC1=CC=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1Br	REAL300019718775	0	41	-1.0	-45.26	352.54	5.91	-39.35
CC1=CC=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1Br	REAL300019718775	1	41	-1.0	-45.24	352.60	5.93	-39.31
CC(C)CC(NC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019718776	0	50	-1.0	-49.80	395.77	3.64	-46.16
CC(C)CC(NC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019718776	1	50	-1.0	-49.83	395.83	3.66	-46.17
CC(C)CC(NC(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL300019718777	0	44	-1.0	-56.10	369.18	4.60	-51.50
CC(C)CC(NC(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL300019718777	1	44	-1.0	-56.11	369.12	4.59	-51.52
CC1=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=NC=C1Cl	REAL300019718778	0	40	-1.0	-52.47	345.41	4.34	-48.13
CC1=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=NC=C1Cl	REAL300019718778	1	40	-1.0	-52.49	345.47	4.36	-48.13
CC(C)CC(NC(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=N[N-]N=N1	REAL300019718779	0	37	-1.0	-44.20	335.20	3.24	-40.96
CC(C)CC(NC(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=NN=N[N-]1	REAL300019718779	1	37	-1.0	-44.20	335.26	3.25	-40.95
CC(C)CC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C1=N[N-]N=N1	REAL300019718780	0	38	-1.0	-44.76	342.73	5.68	-39.08
CC(C)CC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C1=NN=N[N-]1	REAL300019718780	1	38	-1.0	-44.74	342.79	5.69	-39.05
CCN1C(=O)NC2=CC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=CC=C21	REAL300019718781	0	45	-1.0	-50.04	371.23	3.99	-46.05
CCN1C(=O)NC2=CC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=CC=C21	REAL300019718781	1	45	-1.0	-50.05	371.29	4.00	-46.05
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=N[N-]N=N1	REAL300019718782	0	46	-1.0	-49.26	376.22	4.68	-44.58
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=NN=N[N-]1	REAL300019718782	1	46	-1.0	-49.28	376.28	4.70	-44.58
COC(=O)N1CCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL300019718783	0	46	-1.0	-51.84	365.11	3.08	-48.76
COC(=O)N1CCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL300019718783	1	46	-1.0	-51.88	365.16	3.09	-48.79
CC(C)CC(NC(=O)CCC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL300019718784	0	40	-1.0	-49.82	345.21	4.23	-45.59
CC(C)CC(NC(=O)CCC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL300019718784	1	40	-1.0	-49.83	345.15	4.21	-45.62
CC(C)CC(NC(=O)C1CCCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718785	0	58	-1.0	-48.12	435.60	6.18	-41.94
CC(C)CC(NC(=O)C1CCCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718785	1	58	-1.0	-48.15	435.66	6.19	-41.96
CC(C)CC(NC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718786	0	58	-1.0	-46.21	454.70	2.77	-43.44
CC(C)CC(NC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718786	1	58	-1.0	-46.19	454.72	2.78	-43.41
CC(C)CC(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300019718787	0	54	-1.0	-52.86	440.71	1.12	-51.74
CC(C)CC(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300019718787	1	54	-1.0	-52.90	440.65	1.11	-51.79
CC(C)CC(NC(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300019718788	0	42	-1.0	-52.89	371.99	1.18	-51.71
CC(C)CC(NC(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300019718788	1	42	-1.0	-52.90	372.04	1.20	-51.70
CC(C)CC(NC(=O)C1=CC(Br)=CNC1=O)C1=N[N-]N=N1	REAL300019718789	0	35	-1.0	-53.83	314.83	2.06	-51.77
CC(C)CC(NC(=O)C1=CC(Br)=CNC1=O)C1=NN=N[N-]1	REAL300019718789	1	35	-1.0	-53.82	314.89	2.07	-51.75
CC(C)CC(NC(=O)C1=CN=C2CCCCCN12)C1=N[N-]N=N1	REAL300019718790	0	45	-1.0	-46.85	347.59	4.56	-42.29
CC(C)CC(NC(=O)C1=CN=C2CCCCCN12)C1=NN=N[N-]1	REAL300019718790	1	45	-1.0	-46.87	347.64	4.57	-42.30
CC(C)CC(NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL300019718791	0	44	-1.0	-48.31	369.05	6.83	-41.48
CC(C)CC(NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL300019718791	1	44	-1.0	-48.32	369.10	6.84	-41.48
CC1=C(S(C)(=O)=O)C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL300019718792	0	41	-1.0	-54.74	356.60	0.49	-54.25
CC1=C(S(C)(=O)=O)C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL300019718792	1	41	-1.0	-54.78	356.66	0.51	-54.27
CC(C)CC(NC(=O)C1=CC2=CSC=C2S1)C1=N[N-]N=N1	REAL300019718793	0	35	-1.0	-47.38	321.71	4.55	-42.83
CC(C)CC(NC(=O)C1=CC2=CSC=C2S1)C1=NN=N[N-]1	REAL300019718793	1	35	-1.0	-47.37	321.77	4.56	-42.81
CC1=CC=CC=C1CC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718794	0	47	-1.0	-45.25	368.94	6.60	-38.65
CC1=CC=CC=C1CC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718794	1	47	-1.0	-45.29	369.00	6.61	-38.68
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)OC(C(F)F)=C1	REAL300019718795	0	38	-1.0	-44.32	328.19	3.98	-40.34
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)OC(C(F)F)=C1	REAL300019718795	1	38	-1.0	-44.30	328.25	4.00	-40.30
CC(C)CC(NC(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=N[N-]N=N1	REAL300019718796	0	43	-1.0	-48.09	359.34	7.07	-41.02
CC(C)CC(NC(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=NN=N[N-]1	REAL300019718796	1	43	-1.0	-48.08	359.40	7.09	-40.99
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019718797	0	42	-1.0	-49.25	373.47	7.05	-42.20
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300019718797	1	42	-1.0	-49.21	373.53	7.07	-42.14
CC1=CC=C2OC=C(CC(=O)NC(CC(C)C)C3=N[N-]N=N3)C2=C1	REAL300019718798	0	44	-1.0	-49.58	365.44	5.86	-43.72
CC1=CC=C2OC=C(CC(=O)NC(CC(C)C)C3=NN=N[N-]3)C2=C1	REAL300019718798	1	44	-1.0	-49.61	365.50	5.88	-43.73
COC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019718799	0	42	-1.0	-46.20	354.39	5.08	-41.12
COC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019718799	1	42	-1.0	-46.18	354.45	5.09	-41.09
CCCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019718800	0	47	-1.0	-44.95	389.86	7.35	-37.60
CCCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019718800	1	47	-1.0	-44.95	389.91	7.36	-37.59
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)N1C1=NN(C)C=C1	REAL300019718801	0	49	-1.0	-56.45	399.50	6.59	-49.86
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)N1C1=NN(C)C=C1	REAL300019718801	1	49	-1.0	-56.45	399.44	6.58	-49.87
CC(C)CC(NC(=O)CN1C=CN=C1C(C)C)C1=N[N-]N=N1	REAL300019718802	0	44	-1.0	-49.90	358.77	4.74	-45.16
CC(C)CC(NC(=O)CN1C=CN=C1C(C)C)C1=NN=N[N-]1	REAL300019718802	1	44	-1.0	-49.94	358.83	4.76	-45.18
CC(C)CC(NC(=O)CN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300019718802	1	45	0.0	-51.34	357.48	5.33	-46.01
CC(C)CC(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718803	0	55	-1.0	-45.06	432.27	1.98	-43.08
CC(C)CC(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718803	1	55	-1.0	-45.01	432.32	1.99	-43.02
CC(C)CC(NC(=O)C1CN(C2CCOC2)C1)C1=N[N-]N=N1	REAL300019718804	0	45	-1.0	-49.74	354.15	0.03	-49.71
CC(C)CC(NC(=O)C1C[NH+](C2CCOC2)C1)C1=NN=N[N-]1	REAL300019718804	1	46	0.0	-56.37	358.19	2.99	-53.38
CC(C)CC(NC(=O)C1CN(C2CCOC2)C1)C1=NN=N[N-]1	REAL300019718804	1	45	-1.0	-49.73	354.21	0.04	-49.69
CC(C)CC(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019718805	0	45	-1.0	-49.39	372.08	7.22	-42.17
CC(C)CC(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019718805	1	45	-1.0	-49.38	372.14	7.23	-42.15
CC(C)CC(NC(=O)CN1CSCCSC1)C1=N[N-]N=N1	REAL300019718806	0	42	-1.0	-46.22	350.74	2.64	-43.58
CC(C)CC(NC(=O)CN1CSCCSC1)C1=NN=N[N-]1	REAL300019718806	1	42	-1.0	-46.23	350.80	2.66	-43.57
CC(C)CC(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019718807	0	43	-1.0	-49.68	364.97	5.56	-44.12
CC(C)CC(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019718807	1	43	-1.0	-49.67	365.03	5.57	-44.10
CC(C)CC(NC(=O)C1=CN=C2COCCN12)C1=N[N-]N=N1	REAL300019718808	0	40	-1.0	-49.38	323.83	1.98	-47.40
CC(C)CC(NC(=O)C1=CN=C2COCCN12)C1=NN=N[N-]1	REAL300019718808	1	40	-1.0	-49.40	323.89	1.99	-47.41
CC(C)CC(NC(=O)CC1(C#N)CCOCC1)C1=N[N-]N=N1	REAL300019718809	0	43	-1.0	-49.45	340.33	2.53	-46.92
CC(C)CC(NC(=O)CC1(C#N)CCOCC1)C1=NN=N[N-]1	REAL300019718809	1	43	-1.0	-49.48	340.39	2.54	-46.94
CC(C)CC(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=N[N-]N=N1	REAL300019718810	0	51	-1.0	-50.15	410.76	5.06	-45.09
CC(C)CC(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=NN=N[N-]1	REAL300019718810	1	51	-1.0	-50.17	410.82	5.08	-45.09
CC(C)CC(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718811	0	56	-1.0	-60.60	419.83	3.64	-56.96
CC(C)CC(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718811	1	56	-1.0	-60.55	419.87	3.64	-56.91
CC(C)CC(NC(=O)C1CC(=O)NC2CCCCC21)C1=N[N-]N=N1	REAL300019718812	0	49	-1.0	-53.64	367.50	2.71	-50.93
CC(C)CC(NC(=O)C1CC(=O)NC2CCCCC21)C1=NN=N[N-]1	REAL300019718812	1	49	-1.0	-53.64	367.56	2.73	-50.91
CC(C)CC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019718813	0	38	-2.0	-98.46	342.42	-0.66	-99.12
CC(C)CC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019718813	1	38	-2.0	-98.41	342.48	-0.64	-99.05
CC(C)CC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL300019718814	0	49	0.0	-62.66	375.46	3.54	-59.12
CC(C)CC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL300019718814	1	49	0.0	-62.66	375.40	3.53	-59.13
CC(C)CC(NC(=O)CC1=CC=C(Br)C(O)=C1)C1=N[N-]N=N1	REAL300019718815	0	39	-1.0	-48.96	347.62	2.68	-46.28
CC(C)CC(NC(=O)CC1=CC=C(Br)C(O)=C1)C1=NN=N[N-]1	REAL300019718815	1	39	-1.0	-48.93	347.67	2.69	-46.24
CC(C)CC(NC(=O)CC(O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718816	0	52	-1.0	-50.16	413.91	0.02	-50.14
CC(C)CC(NC(=O)CC(O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718816	1	52	-1.0	-50.10	413.97	0.04	-50.06
CC(C)CC(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019718817	0	41	-2.0	-89.63	363.42	-0.24	-89.87
CC(C)CC(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019718817	1	41	-2.0	-89.66	363.48	-0.22	-89.88
COC1=CC=C(CN2CCC2C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718818	0	51	-1.0	-51.99	409.75	2.97	-49.02
COC1=CC=C(CN2CCC2C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718818	1	51	-1.0	-51.99	409.81	2.99	-49.00
CC(C)CC(NC(=O)C1=CC(N2CCOCC2)=NC=N1)C1=NN=N[N-]1	REAL300019718819	0	46	-1.0	-44.33	370.91	2.29	-42.04
CC(C)CC(NC(=O)C1=CC(N2CCOCC2)=NC=N1)C1=N[N-]N=N1	REAL300019718819	1	46	-1.0	-44.32	370.85	2.27	-42.05
CC(C)CC(NC(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718820	0	43	-1.0	-53.10	356.36	2.18	-50.92
CC(C)CC(NC(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718820	1	43	-1.0	-53.11	356.41	2.20	-50.91
CC(C)CC(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718820	1	42	-2.0	-121.17	352.79	3.18	-117.99
CC(C)CC(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718820	1	42	-2.0	-121.20	352.85	3.19	-118.01
CC(C)CC(NC(=O)CN(C)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718821	0	49	-1.0	-45.92	388.95	4.81	-41.11
CC(C)CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718821	1	50	0.0	-56.91	390.94	7.05	-49.86
CC(C)CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718821	1	50	0.0	-56.82	390.94	7.06	-49.76
CC(C)CC(NC(=O)CN(C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718821	1	49	-1.0	-45.93	389.00	4.82	-41.11
COCCOCC[N@H+](C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718822	0	54	0.0	-60.02	419.83	3.20	-56.82
COCCOCC[N@@H+](C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718822	1	54	0.0	-59.70	419.88	3.19	-56.51
COCCOCC[N@H+](C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718822	1	54	0.0	-60.03	419.89	3.21	-56.82
COCCOCC[N@@H+](C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718822	1	54	0.0	-59.75	419.93	3.20	-56.55
CC(C)CC(NC(=O)C(C)N1CSCCSC1)C1=N[N-]N=N1	REAL300019718823	0	45	-1.0	-49.92	365.67	3.13	-46.79
CC(C)CC(NC(=O)C(C)N1CSCCSC1)C1=NN=N[N-]1	REAL300019718823	1	45	-1.0	-49.95	365.73	3.15	-46.80
CC(C)CC(NC(=O)CCN1CSCCSC1)C1=N[N-]N=N1	REAL300019718824	0	45	-1.0	-46.26	370.08	2.93	-43.33
CC(C)CC(NC(=O)CCN1CSCCSC1)C1=NN=N[N-]1	REAL300019718824	1	45	-1.0	-46.21	370.14	2.94	-43.27
CC(C)CC(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=N[N-]N=N1	REAL300019718825	0	45	-1.0	-50.71	378.55	-1.74	-52.45
CC(C)CC(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=NN=N[N-]1	REAL300019718825	1	45	-1.0	-50.69	378.61	-1.73	-52.42
CC(C)CC(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL300019718826	0	39	-1.0	-45.79	338.16	5.91	-39.88
CC(C)CC(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL300019718826	1	39	-1.0	-45.78	338.22	5.93	-39.85
CC(C)CC(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=N[N-]N=N1	REAL300019718827	0	40	-1.0	-52.09	348.40	4.23	-47.86
CC(C)CC(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=NN=N[N-]1	REAL300019718827	1	40	-1.0	-52.09	348.46	4.25	-47.84
CC(C)CC(NC(=O)C1CCC2=CC=CC=C2CC1)C1=N[N-]N=N1	REAL300019718828	0	48	-1.0	-46.29	369.28	7.09	-39.20
CC(C)CC(NC(=O)C1CCC2=CC=CC=C2CC1)C1=NN=N[N-]1	REAL300019718828	1	48	-1.0	-46.27	369.34	7.10	-39.17
CC(C)CC(NC(=O)CC(C1CCC1)C1CCC1)C1=N[N-]N=N1	REAL300019718829	0	51	-1.0	-46.68	382.70	7.09	-39.59
CC(C)CC(NC(=O)CC(C1CCC1)C1CCC1)C1=NN=N[N-]1	REAL300019718829	1	51	-1.0	-46.67	382.75	7.10	-39.57
CC1=CC=C(COC(C)C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718830	0	48	-1.0	-50.81	391.84	6.61	-44.20
CC1=CC=C(COC(C)C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718830	1	48	-1.0	-50.80	391.90	6.63	-44.17
CC(C)CC(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=N[N-]N=N1	REAL300019718831	0	38	-1.0	-44.56	351.90	6.20	-38.36
CC(C)CC(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=NN=N[N-]1	REAL300019718831	1	38	-1.0	-44.59	351.96	6.22	-38.37
CC(C)CC(NC(=O)C1C2CCCCCCC21)C1=N[N-]N=N1	REAL300019718832	0	48	-1.0	-45.62	352.30	5.96	-39.66
CC(C)CC(NC(=O)C1C2CCCCCCC21)C1=NN=N[N-]1	REAL300019718832	1	48	-1.0	-45.61	352.35	5.97	-39.64
CC(C)CC(NC(=O)C1=CC2=NN=NN2C=C1)C1=NN=N[N-]1	REAL300019718833	0	36	-1.0	-48.10	308.31	2.30	-45.80
CC(C)CC(NC(=O)C1=CC2=NN=NN2C=C1)C1=N[N-]N=N1	REAL300019718833	1	36	-1.0	-48.09	308.26	2.29	-45.80
CC(C)CC(NC(=O)C1CCC(C2CC2)CC1)C1=N[N-]N=N1	REAL300019718834	0	48	-1.0	-45.72	361.48	6.35	-39.37
CC(C)CC(NC(=O)C1CCC(C2CC2)CC1)C1=NN=N[N-]1	REAL300019718834	1	48	-1.0	-45.71	361.54	6.38	-39.33
CC(C)CC(NC(=O)C1=C2SC=CC2=NC=N1)C1=NN=N[N-]1	REAL300019718835	0	36	-1.0	-45.58	318.45	3.57	-42.01
CC(C)CC(NC(=O)C1=C2SC=CC2=NC=N1)C1=N[N-]N=N1	REAL300019718835	1	36	-1.0	-45.59	318.39	3.55	-42.04
CCCCCCCCC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718836	0	55	-1.0	-45.49	422.73	7.86	-37.63
CCCCCCCCC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718836	1	55	-1.0	-45.50	422.79	7.88	-37.62
CC(C)CC(NC(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019718837	0	52	-1.0	-48.65	412.13	3.24	-45.41
CC(C)CC(NC(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019718837	1	52	-1.0	-48.69	412.19	3.25	-45.44
CC(C)CC(NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718838	0	58	-1.0	-59.10	438.75	5.80	-53.30
CC(C)CC(NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718838	1	58	-1.0	-59.07	438.81	5.81	-53.26
CC(C)CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1=NN=N[N-]1	REAL300019718839	0	48	0.0	-51.14	359.63	5.54	-45.60
CC(C)CC(NC(=O)C1CCC2CCCC[N@H+]21)C1=NN=N[N-]1	REAL300019718839	1	48	0.0	-54.50	352.43	5.10	-49.40
CC(C)CC(NC(=O)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)C1=NN=N[N-]1	REAL300019718840	0	46	-1.0	-59.27	392.54	4.92	-54.35
CC(C)CC(NC(=O)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)C1=N[N-]N=N1	REAL300019718840	1	46	-1.0	-59.26	392.49	4.90	-54.36
COC1=CC=C(CNC(=O)C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718841	0	50	-1.0	-46.40	418.86	3.18	-43.22
COC1=CC=C(CNC(=O)C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718841	1	50	-1.0	-46.44	418.92	3.20	-43.24
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1)C1=N[N-]N=N1	REAL300019718842	0	39	-1.0	-44.96	356.45	5.88	-39.08
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1)C1=NN=N[N-]1	REAL300019718842	1	39	-1.0	-44.97	356.51	5.89	-39.08
CC(C)CC(NC(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300019718843	0	43	-1.0	-48.53	365.55	5.39	-43.14
CC(C)CC(NC(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300019718843	1	43	-1.0	-48.56	365.61	5.40	-43.16
CC(C)CC(NC(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019718844	0	39	-1.0	-41.68	353.40	4.54	-37.14
CC(C)CC(NC(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019718844	1	39	-1.0	-41.67	353.46	4.55	-37.12
COC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1Br	REAL300019718845	0	39	-1.0	-44.81	341.42	4.15	-40.66
COC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1Br	REAL300019718845	1	39	-1.0	-44.83	341.48	4.17	-40.66
CC(C)CC(NC(=O)C1C2CC3=CC=CC=C3C21)C1=N[N-]N=N1	REAL300019718846	0	43	-1.0	-48.52	342.92	6.59	-41.93
CC(C)CC(NC(=O)C1C2CC3=CC=CC=C3C21)C1=NN=N[N-]1	REAL300019718846	1	43	-1.0	-48.52	342.97	6.60	-41.92
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300019718847	0	42	-1.0	-43.57	357.44	4.72	-38.85
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300019718847	1	42	-1.0	-43.58	357.50	4.74	-38.84
CC(C)CC(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=N[N-]N=N1	REAL300019718848	0	43	-1.0	-43.28	352.48	4.79	-38.49
CC(C)CC(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=NN=N[N-]1	REAL300019718848	1	43	-1.0	-43.29	352.54	4.81	-38.48
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL300019718849	0	41	-1.0	-50.63	356.49	0.55	-50.08
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL300019718849	1	41	-1.0	-50.60	356.55	0.57	-50.03
CC1=CC=CC=C1COC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718850	0	48	-1.0	-50.70	386.51	6.66	-44.04
CC1=CC=CC=C1COC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718850	1	48	-1.0	-50.71	386.57	6.67	-44.04
CSC1=CC(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL300019718851	0	39	-1.0	-44.52	336.82	4.05	-40.47
CSC1=CC(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL300019718851	1	39	-1.0	-44.48	336.88	4.07	-40.41
CC(C)CC(NC(=O)C1=CC=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL300019718852	0	44	-1.0	-47.98	351.68	6.07	-41.91
CC(C)CC(NC(=O)C1=CC=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL300019718852	1	44	-1.0	-47.99	351.74	6.08	-41.91
CC(C)CC(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019718853	0	35	-1.0	-45.73	323.37	4.27	-41.46
CC(C)CC(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019718853	1	35	-1.0	-45.76	323.43	4.29	-41.47
CC(C)CC(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019718854	0	48	-1.0	-46.51	375.88	7.19	-39.32
CC(C)CC(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019718854	1	48	-1.0	-46.50	375.93	7.20	-39.30
COCCCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL300019718855	0	45	-1.0	-48.65	373.33	2.65	-46.00
COCCCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL300019718855	1	45	-1.0	-48.66	373.28	2.63	-46.03
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NN1C1CCOCC1	REAL300019718856	0	49	-1.0	-52.05	391.01	3.50	-48.55
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NN1C1CCOCC1	REAL300019718856	1	49	-1.0	-52.08	391.07	3.52	-48.56
CC(C)CC(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=NN=N[N-]1	REAL300019718857	0	46	-1.0	-47.24	377.10	2.94	-44.30
CC(C)CC(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=N[N-]N=N1	REAL300019718857	1	46	-1.0	-47.24	377.05	2.93	-44.31
CC(C)CC(NC(=O)CC(C)C1=CC=NC=C1)C1=N[N-]N=N1	REAL300019718858	0	43	-1.0	-44.83	346.23	4.38	-40.45
CC(C)CC(NC(=O)CC(C)C1=CC=NC=C1)C1=NN=N[N-]1	REAL300019718858	1	43	-1.0	-44.81	346.29	4.40	-40.41
CC(C)CC(NC(=O)C1=C2C=CSC2=CN=C1)C1=NN=N[N-]1	REAL300019718859	0	37	-1.0	-46.71	319.50	3.72	-42.99
CC(C)CC(NC(=O)C1=C2C=CSC2=CN=C1)C1=N[N-]N=N1	REAL300019718859	1	37	-1.0	-46.71	319.45	3.71	-43.00
CC(C)CC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300019718860	0	42	-1.0	-49.11	374.43	6.39	-42.72
CC(C)CC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300019718860	1	42	-1.0	-49.12	374.49	6.41	-42.71
COC1=CC=C(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)C(Br)=C1	REAL300019718861	0	45	-1.0	-44.93	384.18	5.46	-39.47
COC1=CC=C(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)C(Br)=C1	REAL300019718861	1	45	-1.0	-44.96	384.23	5.48	-39.48
CC(C)CC(NC(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=NN=N[N-]1	REAL300019718862	0	44	-1.0	-51.76	369.19	4.59	-47.17
CC(C)CC(NC(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=N[N-]N=N1	REAL300019718862	1	44	-1.0	-51.72	369.13	4.58	-47.14
CC(C)CC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1)C1=N[N-]N=N1	REAL300019718863	0	41	-1.0	-44.77	369.16	6.57	-38.20
CC(C)CC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1)C1=NN=N[N-]1	REAL300019718863	1	41	-1.0	-44.79	369.21	6.58	-38.21
CC(C)CC(NC(=O)C1=C(Br)N=C2COCCN21)C1=N[N-]N=N1	REAL300019718864	0	40	-1.0	-49.82	342.62	2.47	-47.35
CC(C)CC(NC(=O)C1=C(Br)N=C2COCCN21)C1=NN=N[N-]1	REAL300019718864	1	40	-1.0	-49.81	342.68	2.48	-47.33
CC1=CC=CC=C1COCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718865	0	45	-1.0	-51.28	366.73	5.95	-45.33
CC1=CC=CC=C1COCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718865	1	45	-1.0	-51.23	366.78	5.96	-45.27
CC1=CC=CC(COCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718866	0	45	-1.0	-50.41	372.00	5.89	-44.52
CC1=CC=CC(COCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718866	1	45	-1.0	-50.40	372.06	5.91	-44.49
CC(C)CC(NC(=O)C1=C2SC=CC2=CC=N1)C1=NN=N[N-]1	REAL300019718867	0	37	-1.0	-50.64	323.34	3.82	-46.82
CC(C)CC(NC(=O)C1=C2SC=CC2=CC=N1)C1=N[N-]N=N1	REAL300019718867	1	37	-1.0	-50.69	323.28	3.81	-46.88
CC(C)CC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)C1=N[N-]N=N1	REAL300019718868	0	46	-1.0	-44.55	383.53	5.22	-39.33
CC(C)CC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)C1=NN=N[N-]1	REAL300019718868	1	46	-1.0	-44.56	383.58	5.24	-39.32
CC(C)CC(NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=N[N-]N=N1	REAL300019718869	0	44	-1.0	-60.60	347.72	3.09	-57.51
CC(C)CC(NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=NN=N[N-]1	REAL300019718869	1	44	-1.0	-60.62	347.78	3.11	-57.51
CC(C)CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019718870	0	41	-2.0	-94.97	360.41	0.29	-94.68
CC(C)CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019718870	1	41	-2.0	-95.00	360.36	0.28	-94.72
CC(C)CC(NC(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019718870	1	42	-1.0	-53.11	360.43	0.47	-52.64
CC(C)CC(NC(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019718870	1	42	-1.0	-53.16	360.38	0.46	-52.70
CC(C)CC(NC(=O)CN1C=CC(C(F)F)=N1)C1=N[N-]N=N1	REAL300019718871	0	38	-1.0	-54.46	331.45	3.12	-51.34
CC(C)CC(NC(=O)CN1C=CC(C(F)F)=N1)C1=NN=N[N-]1	REAL300019718871	1	38	-1.0	-54.49	331.50	3.14	-51.35
CC(C)CC(NC(=O)C1=CC=CC2=CC(=O)NC=C21)C1=NN=N[N-]1	REAL300019718872	0	41	-1.0	-47.29	338.33	3.39	-43.90
CC(C)CC(NC(=O)C1=CC=CC2=CC(=O)NC=C21)C1=N[N-]N=N1	REAL300019718872	1	41	-1.0	-47.29	338.28	3.38	-43.91
CC1=CN2C=CN=C2C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718873	0	41	-1.0	-54.61	338.16	5.93	-48.68
CC1=CN2C=CN=C2C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718873	1	41	-1.0	-54.63	338.22	5.95	-48.68
CC(C)CC(NC(=O)C1=CC=C(SC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300019718874	0	38	-1.0	-43.50	346.42	4.43	-39.07
CC(C)CC(NC(=O)C1=CC=C(SC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300019718874	1	38	-1.0	-43.49	346.37	4.42	-39.07
CC(C)CC(NC(=O)C1=CC=NC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL300019718875	0	46	-1.0	-44.81	372.26	2.68	-42.13
CC(C)CC(NC(=O)C1=CC=NC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL300019718875	1	46	-1.0	-44.77	372.20	2.66	-42.11
CC(C)CC(NC(=O)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)C1=NN=N[N-]1	REAL300019718876	0	41	-1.0	-47.81	381.35	5.58	-42.23
CC(C)CC(NC(=O)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)C1=N[N-]N=N1	REAL300019718876	1	41	-1.0	-47.80	381.30	5.56	-42.24
CC(C)CC(NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718877	0	52	-1.0	-48.98	408.76	2.96	-46.02
CC(C)CC(NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718877	1	52	-1.0	-48.99	408.82	2.98	-46.01
CC1=CC=C(COCC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718878	0	45	-1.0	-50.39	372.06	5.92	-44.47
CC1=CC=C(COCC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718878	1	45	-1.0	-50.38	372.11	5.94	-44.44
CC(C)CC(NC(=O)C1=CC2=C(C=C1Br)OCO2)C1=N[N-]N=N1	REAL300019718879	0	38	-1.0	-44.55	333.82	3.48	-41.07
CC(C)CC(NC(=O)C1=CC2=C(C=C1Br)OCO2)C1=NN=N[N-]1	REAL300019718879	1	38	-1.0	-44.52	333.87	3.50	-41.02
CC(C)CC(NC(=O)C1=CC(C(F)F)=CC=C1F)C1=N[N-]N=N1	REAL300019718880	0	38	-1.0	-49.44	328.20	5.11	-44.33
CC(C)CC(NC(=O)C1=CC(C(F)F)=CC=C1F)C1=NN=N[N-]1	REAL300019718880	1	38	-1.0	-49.41	328.26	5.12	-44.29
CC(C)CC(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019718881	0	49	-1.0	-49.09	390.77	5.07	-44.02
CC(C)CC(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019718881	1	49	-1.0	-49.12	390.83	5.09	-44.03
CC(C)CC(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019718882	0	42	-1.0	-50.28	358.98	5.29	-44.99
CC(C)CC(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019718882	1	42	-1.0	-50.30	358.92	5.27	-45.03
CC(C)CC(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300019718883	0	37	-1.0	-47.62	338.28	4.21	-43.41
CC(C)CC(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300019718883	1	37	-1.0	-47.61	338.22	4.20	-43.41
COC1=CC(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC(OC)=C1O	REAL300019718884	0	50	-1.0	-47.97	406.96	2.70	-45.27
COC1=CC(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC(OC)=C1O	REAL300019718884	1	50	-1.0	-47.97	407.02	2.70	-45.27
CC(C)CC(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL300019718885	0	45	-1.0	-50.16	373.63	4.11	-46.05
CC(C)CC(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL300019718885	1	45	-1.0	-50.08	373.69	4.12	-45.96
COC1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1C	REAL300019718886	0	42	-1.0	-48.33	335.15	4.30	-44.03
COC1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1C	REAL300019718886	1	42	-1.0	-48.33	335.20	4.32	-44.01
CC(C)CC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019718887	0	51	-1.0	-49.77	413.07	7.20	-42.57
CC(C)CC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019718887	1	51	-1.0	-49.78	413.10	7.22	-42.56
CCC1=CNC(=O)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718888	0	41	-1.0	-57.95	336.45	2.81	-55.14
CCC1=CNC(=O)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718888	1	41	-1.0	-57.95	336.51	2.82	-55.13
CC(C)CC(NC(=O)C(O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718889	0	42	-1.0	-44.60	347.26	3.56	-41.04
CC(C)CC(NC(=O)C(O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718889	1	42	-1.0	-44.64	347.31	3.58	-41.06
CC1=CC(C)=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718890	0	44	-1.0	-47.41	358.99	6.18	-41.23
CC1=CC(C)=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718890	1	44	-1.0	-47.43	359.05	6.19	-41.24
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300019718891	0	45	-1.0	-44.58	384.52	4.63	-39.95
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300019718891	1	45	-1.0	-44.57	384.47	4.61	-39.96
CC(C)CC(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL300019718892	0	47	-1.0	-49.21	369.31	4.72	-44.49
CC(C)CC(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL300019718892	1	47	-1.0	-49.17	369.37	4.73	-44.44
CC(C)CC(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=NN=N[N-]1	REAL300019718893	0	38	-1.0	-49.63	340.23	4.41	-45.22
CC(C)CC(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=N[N-]N=N1	REAL300019718893	1	38	-1.0	-49.66	340.17	4.40	-45.26
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300019718894	0	45	-1.0	-47.47	385.05	4.53	-42.94
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300019718894	1	45	-1.0	-47.49	384.99	4.52	-42.97
CC(C)CC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=N[N-]N=N1	REAL300019718895	0	46	-1.0	-49.98	376.21	4.64	-45.34
CC(C)CC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=NN=N[N-]1	REAL300019718895	1	46	-1.0	-49.98	376.27	4.65	-45.33
CC(C)CC(NC(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019718896	0	46	-1.0	-49.03	377.56	4.69	-44.34
CC(C)CC(NC(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019718896	1	46	-1.0	-49.03	377.62	4.70	-44.33
CC(C)CC(NC(=O)C1=CC=NC2=C1CC(=O)N2)C1=N[N-]N=N1	REAL300019718897	0	39	-1.0	-46.73	327.18	1.82	-44.91
CC(C)CC(NC(=O)C1=CC=NC2=C1CC(=O)N2)C1=NN=N[N-]1	REAL300019718897	1	39	-1.0	-46.70	327.24	1.84	-44.86
CC(C)CC(NC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1)C1=NN=N[N-]1	REAL300019718898	0	41	-1.0	-52.09	359.23	5.73	-46.36
CC(C)CC(NC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1)C1=N[N-]N=N1	REAL300019718898	1	41	-1.0	-52.11	359.18	5.72	-46.39
CC(C)CC(NC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=N[N-]N=N1	REAL300019718899	0	56	-1.0	-45.57	431.26	5.46	-40.11
CC(C)CC(NC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=NN=N[N-]1	REAL300019718899	1	56	-1.0	-45.64	431.32	5.47	-40.17
COC(=O)C=CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL300019718900	0	42	-1.0	-45.81	366.20	4.40	-41.41
COC(=O)C=CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL300019718900	1	42	-1.0	-45.78	366.25	4.42	-41.36
CC(C)CC(NC(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019718901	0	51	-1.0	-46.32	402.08	7.73	-38.59
CC(C)CC(NC(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019718901	1	51	-1.0	-46.30	402.14	7.75	-38.55
CC(C)CC(NC(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718902	0	61	-1.0	-48.82	461.31	6.52	-42.30
CC(C)CC(NC(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718902	1	61	-1.0	-48.80	461.37	6.53	-42.27
CCN1N=CC(Cl)=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718903	0	38	-1.0	-44.80	323.24	3.17	-41.63
CCN1N=CC(Cl)=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718903	1	38	-1.0	-44.79	323.17	3.17	-41.62
COC(=O)C1=C(C)C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)O1	REAL300019718904	0	41	-1.0	-42.93	350.49	3.60	-39.33
COC(=O)C1=C(C)C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL300019718904	1	41	-1.0	-42.91	350.55	3.62	-39.29
COC(=O)C1=CN(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1	REAL300019718905	0	41	-1.0	-54.80	353.22	2.99	-51.81
COC(=O)C1=CN(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1	REAL300019718905	1	41	-1.0	-54.81	353.16	2.98	-51.83
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718906	0	60	-1.0	-44.61	454.28	4.46	-40.15
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718906	1	60	-1.0	-44.58	454.33	4.47	-40.11
CC(C)CC(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718907	0	51	-1.0	-51.25	401.93	2.94	-48.31
CC(C)CC(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718907	1	51	-1.0	-51.22	401.99	2.95	-48.27
CC(C)CC(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019718908	0	53	-1.0	-47.32	418.12	3.61	-43.71
CC(C)CC(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019718908	1	53	-1.0	-47.29	418.18	3.63	-43.66
CC(C)CC(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL300019718909	0	40	-1.0	-46.97	348.55	0.49	-46.48
CC(C)CC(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL300019718909	1	40	-1.0	-46.94	348.61	0.50	-46.44
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL300019718910	0	40	-1.0	-47.58	350.23	-2.13	-49.71
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL300019718910	1	40	-1.0	-47.58	350.29	-2.11	-49.69
CSC1=CC=C(O)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718911	0	40	-1.0	-49.46	340.47	3.71	-45.75
CSC1=CC=C(O)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718911	1	40	-1.0	-49.45	340.53	3.73	-45.72
CC(C)CC(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019718912	0	39	-1.0	-46.53	340.29	2.60	-43.93
CC(C)CC(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019718912	1	39	-1.0	-46.50	340.35	2.60	-43.90
CC1=CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300019718913	0	52	-1.0	-51.84	423.70	8.89	-42.95
CC1=CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300019718913	1	52	-1.0	-51.82	423.76	8.91	-42.91
CC1=CC=CC(N2C=NC3=CC(C(=O)NC(CC(C)C)C4=NN=N[N-]4)=CC=C32)=C1	REAL300019718914	0	51	-1.0	-52.83	419.53	9.49	-43.34
CC1=CC=CC(N2C=NC3=CC(C(=O)NC(CC(C)C)C4=N[N-]N=N4)=CC=C32)=C1	REAL300019718914	1	51	-1.0	-52.81	419.47	9.47	-43.34
CC(C)CC(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=NN=N[N-]1	REAL300019718915	0	43	-1.0	-41.40	367.83	3.64	-37.76
CC(C)CC(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=N[N-]N=N1	REAL300019718915	1	43	-1.0	-41.39	367.77	3.63	-37.76
CC(C)CC(NC(=O)C1CCC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300019718916	0	42	-1.0	-46.66	343.49	6.02	-40.64
CC(C)CC(NC(=O)C1CCC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300019718916	1	42	-1.0	-46.68	343.54	6.04	-40.64
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1C	REAL300019718917	0	48	-1.0	-46.46	382.50	7.41	-39.05
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1C	REAL300019718917	1	48	-1.0	-46.46	382.56	7.42	-39.04
CCOCCN1C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=N1	REAL300019718918	0	45	-1.0	-46.65	373.69	2.83	-43.82
CCOCCN1C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=N1	REAL300019718918	1	45	-1.0	-46.66	373.63	2.82	-43.84
CC(C)CC(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718919	0	51	-1.0	-49.13	399.57	7.94	-41.19
CC(C)CC(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718919	1	51	-1.0	-49.19	399.63	7.96	-41.23
CC(C)CC(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718920	0	48	-1.0	-45.52	394.96	6.57	-38.95
CC(C)CC(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718920	1	48	-1.0	-45.49	394.91	6.55	-38.94
CCOC1=CC=CC(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718921	0	46	-1.0	-48.55	377.32	5.62	-42.93
CCOC1=CC=CC(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718921	1	46	-1.0	-48.53	377.38	5.64	-42.89
COC1=CC=C(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718922	0	43	-1.0	-47.47	355.41	4.71	-42.76
COC1=CC=C(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718922	1	43	-1.0	-47.46	355.47	4.74	-42.72
CC(C)CC(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019718923	0	38	-1.0	-45.03	338.77	5.41	-39.62
CC(C)CC(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019718923	1	38	-1.0	-45.01	338.83	5.43	-39.58
CC(C)CC(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300019718924	0	42	-1.0	-45.76	368.58	5.03	-40.73
CC(C)CC(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300019718924	1	42	-1.0	-45.77	368.64	5.05	-40.72
CC(=CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C1=CC=CS1	REAL300019718925	0	39	-1.0	-44.31	334.52	5.23	-39.08
CC(=CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C1=CC=CS1	REAL300019718925	1	39	-1.0	-44.33	334.58	5.25	-39.08
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718926	0	52	-1.0	-46.63	413.97	3.93	-42.70
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718926	1	52	-1.0	-46.63	414.03	3.94	-42.69
CCC(NC1=CC=CN=C1Cl)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718927	0	45	-1.0	-49.70	367.54	3.01	-46.69
CCC(NC1=CC=CN=C1Cl)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718927	1	45	-1.0	-49.66	367.49	3.00	-46.66
CCOCCOCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718928	0	48	-1.0	-50.33	388.62	2.88	-47.45
CCOCCOCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718928	1	48	-1.0	-50.35	388.68	2.90	-47.45
CC(C)CC(NC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300019718929	0	44	-1.0	-47.41	380.27	4.56	-42.85
CC(C)CC(NC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300019718929	1	44	-1.0	-47.44	380.33	4.58	-42.86
COC1=CC=CC(C(OC)C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718930	0	46	-1.0	-49.78	377.41	4.29	-45.49
COC1=CC=CC(C(OC)C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718930	1	46	-1.0	-49.81	377.47	4.30	-45.51
COCCOCCOCCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718931	0	52	-1.0	-51.64	422.24	2.25	-49.39
COCCOCCOCCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718931	1	52	-1.0	-51.66	422.30	2.26	-49.40
COC1=CC2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=C2C=C1OC	REAL300019718932	0	49	-1.0	-50.25	395.90	5.70	-44.55
COC1=CC2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=C2C=C1OC	REAL300019718932	1	49	-1.0	-50.27	395.95	5.72	-44.55
CSC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(C)O1	REAL300019718933	0	39	-1.0	-44.72	337.59	4.16	-40.56
CSC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(C)O1	REAL300019718933	1	39	-1.0	-44.72	337.65	4.17	-40.55
CC(C)CC(NC(=O)CC1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL300019718934	0	47	-1.0	-59.08	366.40	3.01	-56.07
CC(C)CC(NC(=O)CC1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL300019718934	1	47	-1.0	-59.14	366.34	2.99	-56.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL300019718935	0	48	-2.0	-123.09	393.81	5.23	-117.86
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL300019718935	1	48	-2.0	-123.07	393.87	5.24	-117.83
CC(=O)NC1=CNC(=O)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718936	0	42	-1.0	-65.81	352.72	0.30	-65.51
CC(=O)NC1=CNC(=O)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718936	1	42	-1.0	-65.79	352.78	0.32	-65.47
CC(C)CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300019718937	0	41	-2.0	-109.39	348.06	4.01	-105.38
CC(C)CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300019718937	1	41	-2.0	-109.36	348.00	3.99	-105.37
CC(C)CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300019718937	1	41	-2.0	-109.17	348.16	4.00	-105.17
CC(C)CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300019718937	1	41	-2.0	-109.18	348.11	3.98	-105.20
CC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300019718938	0	38	-2.0	-82.84	334.72	0.84	-82.00
CC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300019718938	1	38	-2.0	-82.87	334.66	0.82	-82.05
CC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300019718938	1	38	-2.0	-82.84	334.78	0.84	-82.00
CC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300019718938	1	38	-2.0	-82.90	334.73	0.82	-82.08
CC(C)CC(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300019718939	0	47	-1.0	-56.77	401.52	3.93	-52.84
CC(C)CC(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300019718939	1	47	-1.0	-56.75	401.46	3.92	-52.83
CC(C)CC(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019718940	0	41	-1.0	-42.47	377.53	1.82	-40.65
CC(C)CC(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019718940	1	41	-1.0	-42.46	377.47	1.81	-40.65
CC(C)CC(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=N[N-]N=N1	REAL300019718941	0	35	-1.0	-44.96	309.61	1.70	-43.26
CC(C)CC(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=NN=N[N-]1	REAL300019718941	1	35	-1.0	-44.97	309.67	1.72	-43.25
CC(C)CC(NC(=O)CC1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL300019718942	0	41	-1.0	-51.98	343.26	4.53	-47.45
CC(C)CC(NC(=O)CC1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL300019718942	1	41	-1.0	-52.00	343.32	4.55	-47.45
CC(C)CC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300019718943	0	41	-2.0	-96.07	350.15	-0.66	-96.73
CC(C)CC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300019718943	1	41	-2.0	-96.01	350.20	-0.64	-96.65
CC(C)CC(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=NN=N[N-]1	REAL300019718944	0	47	-1.0	-51.01	385.16	5.27	-45.74
CC(C)CC(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=N[N-]N=N1	REAL300019718944	1	47	-1.0	-51.04	385.09	5.26	-45.78
CC1=NOC(C2(C(=O)NC(CC(C)C)C3=N[N-]N=N3)CC2)=C1	REAL300019718945	0	41	-1.0	-44.43	344.81	4.26	-40.17
CC1=NOC(C2(C(=O)NC(CC(C)C)C3=NN=N[N-]3)CC2)=C1	REAL300019718945	1	41	-1.0	-44.43	344.87	4.27	-40.16
CC(C)CC(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL300019718946	0	49	-1.0	-45.36	387.76	3.96	-41.40
CC(C)CC(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL300019718946	1	49	-1.0	-45.36	387.82	3.97	-41.39
CC(C)CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1=NN=N[N-]1	REAL300019718947	0	48	0.0	-48.64	356.36	5.48	-43.16
CC(C)CC(NC(=O)C1CCCC2CCC[N@H+]21)C1=NN=N[N-]1	REAL300019718947	1	48	0.0	-47.36	356.43	5.44	-41.92
CC(C)CC(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300019718948	0	46	-1.0	-47.68	372.63	2.05	-45.63
CC(C)CC(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300019718948	1	46	-1.0	-47.72	372.68	2.07	-45.65
CC(C)CC(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=N[N-]N=N1	REAL300019718949	0	40	-1.0	-45.04	329.50	3.55	-41.49
CC(C)CC(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=NN=N[N-]1	REAL300019718949	1	40	-1.0	-45.02	329.55	3.57	-41.45
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(I)=NN1	REAL300019718950	0	35	-1.0	-47.52	324.98	2.00	-45.52
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(I)=NN1	REAL300019718950	1	35	-1.0	-47.51	325.04	2.02	-45.49
CC(C)CC(NC(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019718951	0	44	-1.0	-48.86	362.73	5.37	-43.49
CC(C)CC(NC(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019718951	1	44	-1.0	-48.92	362.78	5.38	-43.54
CC(C)CC(NC(=O)CCC1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019718952	0	43	-1.0	-46.34	361.03	0.21	-46.13
CC(C)CC(NC(=O)CCC1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019718952	1	43	-1.0	-46.35	361.09	0.23	-46.12
CC(C)CC(NC(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=N[N-]N=N1	REAL300019718953	0	53	-1.0	-49.35	421.65	0.84	-48.51
CC(C)CC(NC(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=NN=N[N-]1	REAL300019718953	1	53	-1.0	-49.35	421.71	0.85	-48.50
CC(=O)NC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=N1	REAL300019718954	0	41	-1.0	-50.72	344.30	2.77	-47.95
CC(=O)NC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=N1	REAL300019718954	1	41	-1.0	-50.71	344.24	2.75	-47.96
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718955	0	55	-1.0	-46.45	417.58	6.74	-39.71
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718955	1	55	-1.0	-46.43	417.64	6.75	-39.68
CC(C)CC(NC(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=NN=N[N-]1	REAL300019718956	0	44	-1.0	-50.94	370.10	7.26	-43.68
CC(C)CC(NC(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=N[N-]N=N1	REAL300019718956	1	44	-1.0	-50.84	370.04	7.24	-43.60
CC(C)CC(NC(=O)C1=NC=C2C(F)=CC=CN21)C1=NN=N[N-]1	REAL300019718957	0	38	-1.0	-47.23	325.26	4.80	-42.43
CC(C)CC(NC(=O)C1=NC=C2C(F)=CC=CN21)C1=N[N-]N=N1	REAL300019718957	1	38	-1.0	-47.22	325.21	4.79	-42.43
CC(C)CC(NC(=O)CC1=CNC2=CC=C(Br)C=C12)C1=N[N-]N=N1	REAL300019718958	0	42	-1.0	-47.53	369.40	5.51	-42.02
CC(C)CC(NC(=O)CC1=CNC2=CC=C(Br)C=C12)C1=NN=N[N-]1	REAL300019718958	1	42	-1.0	-47.56	369.46	5.53	-42.03
CC(C)CC(NC(=O)C=CC=C(Cl)Cl)C1=N[N-]N=N1	REAL300019718959	0	33	-1.0	-45.33	312.79	4.14	-41.19
CC(C)CC(NC(=O)C=CC=C(Cl)Cl)C1=NN=N[N-]1	REAL300019718959	1	33	-1.0	-45.33	312.85	4.15	-41.18
CC(C)CC(NC(=O)C1CCCCN(C)C1=O)C1=N[N-]N=N1	REAL300019718960	0	45	-1.0	-45.17	332.18	3.40	-41.77
CC(C)CC(NC(=O)C1CCCCN(C)C1=O)C1=NN=N[N-]1	REAL300019718960	1	45	-1.0	-45.19	332.24	3.42	-41.77
CC(C)CC(NC(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300019718961	0	43	-1.0	-51.90	367.75	4.07	-47.83
CC(C)CC(NC(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300019718961	1	43	-1.0	-51.91	367.80	4.09	-47.82
CC(C)CC(NC(=O)C1=CC2=C(CCCC2O)NC1=O)C1=N[N-]N=N1	REAL300019718962	0	46	-1.0	-56.19	364.18	0.69	-55.50
CC(C)CC(NC(=O)C1=CC2=C(CCCC2O)NC1=O)C1=NN=N[N-]1	REAL300019718962	1	46	-1.0	-56.19	364.24	0.70	-55.49
CC(C)CC(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019718963	0	44	-1.0	-46.64	369.67	4.21	-42.43
CC(C)CC(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019718963	1	44	-1.0	-46.60	369.62	4.20	-42.40
CC(C)CC(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=N[N-]N=N1	REAL300019718964	0	40	-1.0	-46.91	352.33	0.66	-46.25
CC(C)CC(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=NN=N[N-]1	REAL300019718964	1	40	-1.0	-46.87	352.39	0.68	-46.19
CC(C)CC(NC(=O)C1=CNN=C1I)C1=N[N-]N=N1	REAL300019718965	0	32	-1.0	-48.41	298.37	1.51	-46.90
CC(C)CC(NC(=O)C1=CNN=C1I)C1=NN=N[N-]1	REAL300019718965	1	32	-1.0	-48.40	298.43	1.53	-46.87
CC(C)CC(NC(=O)CC=CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718966	0	45	-1.0	-47.66	371.69	7.04	-40.62
CC(C)CC(NC(=O)CC=CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718966	1	45	-1.0	-47.65	371.75	7.06	-40.59
CC(C)CC(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=N[N-]N=N1	REAL300019718967	0	38	-1.0	-46.81	336.51	-1.01	-47.82
CC(C)CC(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=NN=N[N-]1	REAL300019718967	1	38	-1.0	-46.81	336.57	-1.00	-47.81
CC(C)CC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=N[N-]N=N1	REAL300019718968	0	57	-1.0	-48.61	433.38	2.64	-45.97
CC(C)CC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=NN=N[N-]1	REAL300019718968	1	57	-1.0	-48.60	433.44	2.65	-45.95
C#CCN(CC(=O)NC(CC(C)C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019718969	0	50	-1.0	-50.49	405.55	5.33	-45.16
C#CCN(CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019718969	1	50	-1.0	-50.48	405.61	5.35	-45.13
CC(C)CC(NC(=O)CC1CCCS1(=O)=O)C1=N[N-]N=N1	REAL300019718970	0	41	-1.0	-68.48	336.96	0.77	-67.71
CC(C)CC(NC(=O)CC1CCCS1(=O)=O)C1=NN=N[N-]1	REAL300019718970	1	41	-1.0	-68.43	337.02	0.78	-67.65
CC1=CC=C(C(=O)C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718971	0	44	-1.0	-45.03	369.99	5.94	-39.09
CC1=CC=C(C(=O)C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718971	1	44	-1.0	-45.04	370.05	5.95	-39.09
CC(C)CC(NC(=O)C1=CC=C2NC=NC2=C1F)C1=N[N-]N=N1	REAL300019718972	0	38	-1.0	-60.97	321.67	3.89	-57.08
CC(C)CC(NC(=O)C1=CC=C2NC=NC2=C1F)C1=NN=N[N-]1	REAL300019718972	1	38	-1.0	-61.00	321.72	3.90	-57.10
CC(C)CC(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=NN=N[N-]1	REAL300019718973	0	42	-1.0	-57.08	352.61	4.10	-52.98
CC(C)CC(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=N[N-]N=N1	REAL300019718973	1	42	-1.0	-57.07	352.56	4.09	-52.98
CCN1C(Br)=NC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718974	0	38	-1.0	-43.03	333.97	3.98	-39.05
CCN1C(Br)=NC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718974	1	38	-1.0	-43.00	333.91	3.96	-39.04
CC(C)CC(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=N[N-]N=N1	REAL300019718975	0	38	-1.0	-54.27	332.52	2.43	-51.84
CC(C)CC(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=NN=N[N-]1	REAL300019718975	1	38	-1.0	-54.29	332.58	2.45	-51.84
CC(C)CC(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019718976	0	50	-1.0	-49.02	417.85	0.54	-48.48
CC(C)CC(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718976	1	50	-1.0	-49.00	417.91	0.56	-48.44
CC(C)CC(NC(=O)C1=CC=CN2N=NN=C12)C1=NN=N[N-]1	REAL300019718977	0	36	-1.0	-52.85	307.49	2.63	-50.22
CC(C)CC(NC(=O)C1=CC=CN2N=NN=C12)C1=N[N-]N=N1	REAL300019718977	1	36	-1.0	-52.81	307.44	2.62	-50.19
CC(C)CC(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019718978	0	38	-1.0	-44.20	339.19	5.32	-38.88
CC(C)CC(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019718978	1	38	-1.0	-44.21	339.13	5.30	-38.91
CC(C)CC(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=N[N-]N=N1	REAL300019718979	0	54	-1.0	-47.64	435.51	2.93	-44.71
CC(C)CC(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NN=N[N-]1	REAL300019718979	1	54	-1.0	-47.64	435.56	2.94	-44.70
CC(C)CC(NC(=O)C1=CC(I)=NN1C)C1=NN=N[N-]1	REAL300019718980	0	35	-1.0	-41.90	320.08	2.83	-39.07
CC(C)CC(NC(=O)C1=CC(I)=NN1C)C1=N[N-]N=N1	REAL300019718980	1	35	-1.0	-41.88	320.02	2.82	-39.06
CC(C)CC(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019718981	0	58	-1.0	-50.64	442.93	4.22	-46.42
CC(C)CC(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019718981	1	58	-1.0	-50.69	442.99	4.23	-46.46
CC(=CC1=CC=C(Br)O1)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718982	0	39	-1.0	-44.76	342.66	5.09	-39.67
CC(=CC1=CC=C(Br)O1)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718982	1	39	-1.0	-44.75	342.72	5.10	-39.65
CC(C)CC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=NN=N[N-]1	REAL300019718983	0	45	-1.0	-52.22	394.80	5.10	-47.12
CC(C)CC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=N[N-]N=N1	REAL300019718983	1	45	-1.0	-52.22	394.74	5.08	-47.14
CC(C)CC(NC(=O)C1=CC(C=O)=CC=C1F)C1=N[N-]N=N1	REAL300019718984	0	37	-1.0	-56.16	319.32	4.00	-52.16
CC(C)CC(NC(=O)C1=CC(C=O)=CC=C1F)C1=NN=N[N-]1	REAL300019718984	1	37	-1.0	-56.14	319.38	4.01	-52.13
CC(C)CC(NC(=O)CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300019718985	0	40	-1.0	-48.48	339.40	4.56	-43.92
CC(C)CC(NC(=O)CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300019718985	1	40	-1.0	-48.44	339.45	4.58	-43.86
CC(C)CC(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=N[N-]N=N1	REAL300019718986	0	41	-1.0	-56.20	344.71	4.02	-52.18
CC(C)CC(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=NN=N[N-]1	REAL300019718986	1	41	-1.0	-56.21	344.76	4.03	-52.18
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC=C1C	REAL300019718987	0	54	-1.0	-51.81	439.72	8.78	-43.03
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC=C1C	REAL300019718987	1	54	-1.0	-51.80	439.78	8.80	-43.00
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019718988	0	51	-1.0	-50.87	416.34	7.83	-43.04
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019718988	1	51	-1.0	-50.90	416.39	7.85	-43.05
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019718989	0	54	-1.0	-50.34	446.82	8.61	-41.73
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019718989	1	54	-1.0	-50.36	446.88	8.62	-41.74
CC(C)CC(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=N[N-]N=N1	REAL300019718990	0	37	-1.0	-51.43	336.08	4.53	-46.90
CC(C)CC(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=NN=N[N-]1	REAL300019718990	1	37	-1.0	-51.39	336.14	4.55	-46.84
CC(C)CC(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=NN=N[N-]1	REAL300019718991	0	42	-1.0	-47.89	349.51	-0.91	-48.80
CC(C)CC(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=N[N-]N=N1	REAL300019718991	1	42	-1.0	-47.84	349.45	-0.93	-48.77
CC(C)CC(NC(=O)C1=CN=C2SC=CC2=C1)C1=NN=N[N-]1	REAL300019718992	0	37	-1.0	-45.69	323.50	3.65	-42.04
CC(C)CC(NC(=O)C1=CN=C2SC=CC2=C1)C1=N[N-]N=N1	REAL300019718992	1	37	-1.0	-45.73	323.44	3.64	-42.09
CC(C)CC(NC(=O)CC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL300019718993	0	34	-1.0	-45.90	306.04	3.16	-42.74
CC(C)CC(NC(=O)CC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL300019718993	1	34	-1.0	-45.86	306.09	3.17	-42.69
CC(C)CC(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NN=N[N-]1	REAL300019718994	0	37	-1.0	-44.32	334.43	3.26	-41.06
CC(C)CC(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=N[N-]N=N1	REAL300019718994	1	37	-1.0	-44.38	334.38	3.24	-41.14
CC(C)CC(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300019718995	0	49	-1.0	-54.93	406.31	3.27	-51.66
CC(C)CC(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300019718995	1	49	-1.0	-54.94	406.36	3.29	-51.65
CC(C)CC(NC(=O)C1=COC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019718996	0	34	-1.0	-41.71	312.07	-0.02	-41.73
CC(C)CC(NC(=O)C1=COC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019718996	1	34	-1.0	-41.69	312.01	-0.04	-41.73
CC(C)CC(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=NN=N[N-]1	REAL300019718997	0	37	-1.0	-46.86	338.96	3.61	-43.25
CC(C)CC(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=N[N-]N=N1	REAL300019718997	1	37	-1.0	-46.85	338.91	3.58	-43.27
COC1=CC=C(C=O)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718998	0	41	-1.0	-56.93	341.96	4.46	-52.47
COC1=CC=C(C=O)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718998	1	41	-1.0	-56.95	342.01	4.47	-52.48
CC(C)CC(NC(=O)C1=CC=C(F)C(C=O)=C1)C1=N[N-]N=N1	REAL300019718999	0	37	-1.0	-46.15	319.32	4.00	-42.15
CC(C)CC(NC(=O)C1=CC=C(F)C(C=O)=C1)C1=NN=N[N-]1	REAL300019718999	1	37	-1.0	-46.13	319.38	4.01	-42.12
CC(C)CC(NC(=O)C1=CSN=C1Cl)C1=NN=N[N-]1	REAL300019719000	0	31	-1.0	-46.60	290.76	2.26	-44.34
CC(C)CC(NC(=O)C1=CSN=C1Cl)C1=N[N-]N=N1	REAL300019719000	1	31	-1.0	-46.60	290.70	2.25	-44.35
CC(C)CC(NC(=O)C1CN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL300019719001	0	40	-1.0	-47.37	342.38	-0.87	-48.24
CC(C)CC(NC(=O)C1CN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL300019719001	1	40	-1.0	-47.41	342.43	-0.85	-48.26
CC(C)CC(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019719002	0	45	-1.0	-45.81	385.49	7.24	-38.57
CC(C)CC(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019719002	1	45	-1.0	-45.82	385.56	7.25	-38.57
CC(C)CC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019719003	0	48	-1.0	-47.19	400.01	5.75	-41.44
CC(C)CC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019719003	1	48	-1.0	-47.15	399.96	5.74	-41.41
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019719004	0	47	-1.0	-43.40	394.89	3.79	-39.61
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019719004	1	47	-1.0	-43.36	394.95	3.80	-39.56
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=N[N-]N=N1	REAL300019719005	0	46	-1.0	-48.53	361.21	4.11	-44.42
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=NN=N[N-]1	REAL300019719005	1	46	-1.0	-48.58	361.26	4.12	-44.46
CC1=NC(C2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)S2)=CS1	REAL300019719006	0	41	-1.0	-47.35	371.51	4.78	-42.57
CC1=NC(C2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)S2)=CS1	REAL300019719006	1	41	-1.0	-47.30	371.45	4.76	-42.54
CC(C)CC(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019719007	0	51	-1.0	-48.89	421.14	6.42	-42.47
CC(C)CC(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019719007	1	51	-1.0	-48.91	421.20	6.44	-42.47
CC(C)CC(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300019719008	0	49	-1.0	-53.04	394.18	6.95	-46.09
CC(C)CC(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300019719008	1	49	-1.0	-53.02	394.24	6.97	-46.05
CCC1=CC=C(F)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019719009	0	41	-1.0	-43.99	331.82	5.65	-38.34
CCC1=CC=C(F)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019719009	1	41	-1.0	-43.99	331.88	5.66	-38.33
CC(C)CC(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300019719010	0	47	-1.0	-56.96	382.38	0.78	-56.18
CC(C)CC(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300019719010	1	47	-1.0	-56.97	382.44	0.80	-56.17
COCC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=CS1	REAL300019719011	0	39	-1.0	-47.80	333.43	2.94	-44.86
COCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CS1	REAL300019719011	1	39	-1.0	-47.80	333.48	2.95	-44.85
CC(C)CC(NC(=O)C1=CC=C2C=CN(C)C2=C1)C1=N[N-]N=N1	REAL300019719012	0	42	-1.0	-50.34	345.17	5.92	-44.42
CC(C)CC(NC(=O)C1=CC=C2C=CN(C)C2=C1)C1=NN=N[N-]1	REAL300019719012	1	42	-1.0	-50.34	345.22	5.93	-44.41
COC(=O)C1=NN(C)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019719013	0	41	-1.0	-43.75	348.62	2.46	-41.29
COC(=O)C1=NN(C)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019719013	1	41	-1.0	-43.74	348.56	2.45	-41.29
COC(=O)[C@@H]1O[C@@H](C(=O)NC(CC(C)C)C2=N[N-]N=N2)C[C@H]1C	REAL300019719014	0	45	-1.0	-51.01	368.60	4.32	-46.69
COC(=O)[C@@H]1O[C@@H](C(=O)NC(CC(C)C)C2=NN=N[N-]2)C[C@H]1C	REAL300019719014	1	45	-1.0	-51.07	368.66	4.34	-46.73
CC(C)CC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=N[N-]N=N1	REAL300019719015	0	56	-1.0	-47.77	440.90	8.47	-39.30
CC(C)CC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=NN=N[N-]1	REAL300019719015	1	56	-1.0	-47.77	440.97	8.49	-39.28
COC1=CC=CC=C1NC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019719016	0	51	-1.0	-48.12	409.85	5.90	-42.22
COC1=CC=CC=C1NC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019719016	1	51	-1.0	-48.10	409.91	5.92	-42.18
CC(C)CC(NC(=O)C=CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300019719017	0	36	-1.0	-44.38	333.24	5.11	-39.27
CC(C)CC(NC(=O)C=CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300019719017	1	36	-1.0	-44.36	333.30	5.13	-39.23
CC(C)CC(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300019719018	0	43	-1.0	-49.75	370.84	5.25	-44.50
CC(C)CC(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300019719018	1	43	-1.0	-49.73	370.90	5.27	-44.46
CC(C)CC(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019719019	0	46	-1.0	-48.93	369.54	2.83	-46.10
CC(C)CC(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019719019	1	46	-1.0	-48.94	369.48	2.82	-46.12
CC(C)CC(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=N[N-]N=N1	REAL300019719020	0	48	-1.0	-42.66	369.51	4.74	-37.92
CC(C)CC(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NN=N[N-]1	REAL300019719020	1	48	-1.0	-42.68	369.56	4.76	-37.92
CC(C)CC(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=N[N-]N=N1	REAL300019719021	0	43	-1.0	-47.84	363.74	7.18	-40.66
CC(C)CC(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=NN=N[N-]1	REAL300019719021	1	43	-1.0	-47.87	363.80	7.19	-40.68
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300019719022	0	45	-1.0	-46.19	372.53	6.70	-39.49
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300019719022	1	45	-1.0	-46.19	372.59	6.72	-39.47
CC(C)CC(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019719023	0	43	-1.0	-58.23	351.62	2.53	-55.70
CC(C)CC(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019719023	1	43	-1.0	-58.23	351.68	2.55	-55.68
CC(C)CC(NC(=O)CC1CCC(F)(F)CC1)C1=N[N-]N=N1	REAL300019719024	0	44	-1.0	-46.30	347.04	5.29	-41.01
CC(C)CC(NC(=O)CC1CCC(F)(F)CC1)C1=NN=N[N-]1	REAL300019719024	1	44	-1.0	-46.32	347.10	5.31	-41.01
CC1=CN(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)N=C1C(F)(F)F	REAL300019719025	0	41	-1.0	-57.78	358.05	3.91	-53.87
CC1=CN(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)N=C1C(F)(F)F	REAL300019719025	1	41	-1.0	-57.77	358.00	3.90	-53.87
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019719026	0	45	-1.0	-47.99	365.46	6.85	-41.14
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019719026	1	45	-1.0	-48.01	365.51	6.87	-41.14
CC(C)CC(NC(=O)C1=C(C(F)F)N=CO1)C1=N[N-]N=N1	REAL300019719027	0	34	-1.0	-49.23	300.07	-0.24	-49.47
CC(C)CC(NC(=O)C1=C(C(F)F)N=CO1)C1=NN=N[N-]1	REAL300019719027	1	34	-1.0	-49.24	300.12	-0.22	-49.46
CC(C)CC(NC(=O)C1=CC=CC(C#CCO)=C1)C1=N[N-]N=N1	REAL300019719028	0	41	-1.0	-54.34	351.92	3.02	-51.32
CC(C)CC(NC(=O)C1=CC=CC(C#CCO)=C1)C1=NN=N[N-]1	REAL300019719028	1	41	-1.0	-54.32	351.98	3.03	-51.29
CC(C)CC(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019719029	0	49	-1.0	-46.50	390.96	-1.41	-47.91
CC(C)CC(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019719029	1	49	-1.0	-46.54	391.02	-1.41	-47.95
CC1=C(C=O)C(C)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)N1	REAL300019719030	0	41	-1.0	-46.36	337.57	2.96	-43.40
CC1=C(C=O)C(C)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N1	REAL300019719030	1	41	-1.0	-46.42	337.63	2.97	-43.45
COC1=CC(CO)=CC=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019719031	0	43	-1.0	-53.18	351.62	2.03	-51.15
COC1=CC(CO)=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019719031	1	43	-1.0	-53.14	351.68	2.05	-51.09
CC(C)CC(NC(=O)CC1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL300019719032	0	49	-1.0	-50.48	373.80	3.17	-47.31
CC(C)CC(NC(=O)CC1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL300019719032	1	49	-1.0	-50.46	373.86	3.18	-47.28
COC1=CC(OC)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1C=O	REAL300019719033	0	45	-1.0	-53.30	369.11	5.09	-48.21
COC1=CC(OC)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1C=O	REAL300019719033	1	45	-1.0	-53.32	369.17	5.10	-48.22
CC(C)CC(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019719034	0	47	-1.0	-57.90	391.13	5.06	-52.84
CC(C)CC(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019719034	1	47	-1.0	-57.93	391.07	5.05	-52.88
CC(C)CC(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019719035	0	50	-1.0	-50.49	412.57	5.83	-44.66
CC(C)CC(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019719035	1	50	-1.0	-50.53	412.63	5.84	-44.69
CC(C)CC(NC(=O)CC(O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019719036	0	49	-1.0	-53.87	402.86	3.56	-50.31
CC(C)CC(NC(=O)CC(O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019719036	1	49	-1.0	-53.90	402.92	3.58	-50.32
CC(C)CC(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=N[N-]N=N1	REAL300019719037	0	46	-1.0	-45.77	383.89	4.01	-41.76
CC(C)CC(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=NN=N[N-]1	REAL300019719037	1	46	-1.0	-45.77	383.95	4.02	-41.75
CC(C)CC(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019719038	0	55	-1.0	-53.80	422.98	5.01	-48.79
CC(C)CC(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019719038	1	55	-1.0	-53.82	423.04	5.03	-48.79
CC(C)CC(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019719039	0	41	-1.0	-51.16	359.33	5.55	-45.61
CC(C)CC(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019719039	1	41	-1.0	-51.12	359.27	5.53	-45.59
CC(C)CC(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=N[N-]N=N1	REAL300019719040	0	45	-1.0	-64.17	372.01	2.50	-61.67
CC(C)CC(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NN=N[N-]1	REAL300019719040	1	45	-1.0	-64.19	372.07	2.51	-61.68
CC(C)CC(NC(=O)C1=CN2CC(C)CCC2=N1)C1=N[N-]N=N1	REAL300019719041	0	45	-1.0	-50.31	359.58	4.94	-45.37
CC(C)CC(NC(=O)C1=CN2CC(C)CCC2=N1)C1=NN=N[N-]1	REAL300019719041	1	45	-1.0	-50.37	359.64	4.94	-45.43
CC(C)CC(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019719042	0	49	-1.0	-48.66	400.21	8.77	-39.89
CC(C)CC(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019719042	1	49	-1.0	-48.65	400.27	8.79	-39.86
CC1=NC=C(C=CC(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019719043	0	38	-1.0	-46.66	333.30	3.35	-43.31
CC1=NC=C(C=CC(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019719043	1	38	-1.0	-46.65	333.36	3.37	-43.28
CC(C)CC(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300019719044	0	45	-1.0	-59.04	364.19	3.50	-55.54
CC(C)CC(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300019719044	1	45	-1.0	-59.08	364.13	3.48	-55.60
CC(C)CC(NC(=O)C1=CC=NC2=CC=NN21)C1=NN=N[N-]1	REAL300019719045	0	37	-1.0	-47.83	311.92	3.42	-44.41
CC(C)CC(NC(=O)C1=CC=NC2=CC=NN21)C1=N[N-]N=N1	REAL300019719045	1	37	-1.0	-47.82	311.86	3.41	-44.41
CC(C)CC(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL300019719046	0	41	-1.0	-49.61	348.03	-0.07	-49.68
CC(C)CC(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL300019719046	1	41	-1.0	-49.55	347.98	-0.09	-49.64
CC(C)CC(NC(=O)C1=NC2=CC=NN2C=C1)C1=NN=N[N-]1	REAL300019719047	0	37	-1.0	-45.39	316.17	3.16	-42.23
CC(C)CC(NC(=O)C1=NC2=CC=NN2C=C1)C1=N[N-]N=N1	REAL300019719047	1	37	-1.0	-45.39	316.12	3.14	-42.25
CC1=C(C)C(=O)N(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)C1=O	REAL300019719048	0	45	-1.0	-50.59	378.98	3.51	-47.08
CC1=C(C)C(=O)N(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1=O	REAL300019719048	1	45	-1.0	-50.60	379.04	3.52	-47.08
CC(C)CC(NC(=O)C1CC2CSCC(C1)C2=O)C1=N[N-]N=N1	REAL300019719049	0	45	-1.0	-49.27	352.04	4.38	-44.89
CC(C)CC(NC(=O)C1CC2CSCC(C1)C2=O)C1=NN=N[N-]1	REAL300019719049	1	45	-1.0	-49.29	352.10	4.39	-44.90
CCOC(=O)C1CCCN(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL300019719050	0	52	-1.0	-55.26	408.53	3.86	-51.40
CCOC(=O)C1CCCN(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019719050	1	52	-1.0	-55.27	408.59	3.87	-51.40
CCOC(=O)C1CCC[N@H+](CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019719050	1	53	0.0	-54.83	410.04	6.03	-48.80
CCOC(=O)C1CCC[N@@H+](CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019719050	1	53	0.0	-54.77	410.06	5.99	-48.78
CCC(C)C(C(=O)NC(CC(C)C)C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300019719051	0	50	-1.0	-46.88	387.32	5.96	-40.92
CCC(C)C(C(=O)NC(CC(C)C)C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300019719051	1	50	-1.0	-46.89	387.37	5.97	-40.92
CC(C)CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019719052	0	55	0.0	-69.81	403.43	4.86	-64.95
CC(C)CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019719052	1	55	0.0	-69.79	403.48	4.86	-64.93
CC(C)CC(NC(=O)C1CCC(N2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019719052	1	54	-1.0	-47.16	400.74	2.62	-44.54
CC(C)CC(NC(=O)C1CCC(N2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019719052	1	54	-1.0	-47.20	400.79	2.64	-44.56
CC(C)CC(NC(=O)C=CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300019719053	0	41	-1.0	-50.70	349.14	5.13	-45.57
CC(C)CC(NC(=O)C=CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300019719053	1	41	-1.0	-50.71	349.20	5.15	-45.56
CC(C)CC(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=N[N-]N=N1	REAL300019719054	0	37	-1.0	-48.08	324.72	4.02	-44.06
CC(C)CC(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=NN=N[N-]1	REAL300019719054	1	37	-1.0	-48.07	324.78	4.04	-44.03
CC(C)CC(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=N[N-]N=N1	REAL300019719055	0	45	-1.0	-49.11	357.31	2.82	-46.29
CC(C)CC(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=NN=N[N-]1	REAL300019719055	1	45	-1.0	-49.06	357.37	2.84	-46.22
CC(C)CC(NC(=O)C1=CN2CCC(C)CC2=N1)C1=N[N-]N=N1	REAL300019719056	0	45	-1.0	-50.63	359.62	4.94	-45.69
CC(C)CC(NC(=O)C1=CN2CCC(C)CC2=N1)C1=NN=N[N-]1	REAL300019719056	1	45	-1.0	-50.63	359.68	4.95	-45.68
CC(C)CC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=NN=N[N-]1	REAL300019719057	0	49	0.0	-55.38	364.01	2.78	-52.60
CC(C)CC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300019719057	1	49	0.0	-56.33	361.62	2.79	-53.54
CC(C)CC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=N[N-]N=N1	REAL300019719057	1	49	0.0	-55.38	363.94	2.76	-52.62
CC(C)CC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300019719057	1	49	0.0	-56.34	361.56	2.77	-53.57
CC(C)CC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019721202	0	46	-1.0	-45.43	363.05	4.69	-40.74
CC(C)CC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019721202	1	46	-1.0	-45.40	362.99	4.68	-40.72
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300019721203	0	43	-1.0	-45.19	380.55	6.33	-38.86
CC(C)CC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300019721203	1	43	-1.0	-45.23	380.61	6.34	-38.89
COC1CC(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C1(C)C	REAL300019721204	0	48	-1.0	-46.35	373.33	4.01	-42.34
COC1CC(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1(C)C	REAL300019721204	1	48	-1.0	-46.36	373.39	4.02	-42.34
CC(C)CC(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=NN=N[N-]1	REAL300019721205	0	49	-1.0	-57.75	389.73	5.59	-52.16
CC(C)CC(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=N[N-]N=N1	REAL300019721205	1	49	-1.0	-57.75	389.67	5.58	-52.17
CC(C)CC(NC(=O)C1CCC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL300019721206	0	42	-1.0	-47.49	344.77	5.27	-42.22
CC(C)CC(NC(=O)C1CCC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL300019721206	1	42	-1.0	-47.54	344.83	5.29	-42.25
CC(C)CC(NC(=O)C1CCCC2C1C2(F)F)C1=N[N-]N=N1	REAL300019721207	0	42	-1.0	-49.30	333.88	5.06	-44.24
CC(C)CC(NC(=O)C1CCCC2C1C2(F)F)C1=NN=N[N-]1	REAL300019721207	1	42	-1.0	-49.32	333.94	5.08	-44.24
CC(C)CC(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=N[N-]N=N1	REAL300019721208	0	46	-1.0	-49.14	366.84	5.70	-43.44
CC(C)CC(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=NN=N[N-]1	REAL300019721208	1	46	-1.0	-49.13	366.90	5.71	-43.42
CC(C)CC(NC(=O)CCC1=CC=CC(Br)=C1F)C1=N[N-]N=N1	REAL300019721209	0	41	-1.0	-45.09	363.53	6.32	-38.77
CC(C)CC(NC(=O)CCC1=CC=CC(Br)=C1F)C1=NN=N[N-]1	REAL300019721209	1	41	-1.0	-45.08	363.58	6.34	-38.74
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300019721210	0	41	-1.0	-48.73	352.20	3.15	-45.58
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300019721210	1	41	-1.0	-48.72	352.26	3.17	-45.55
COC(=O)C1C2CCC(O2)C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019721211	0	46	-1.0	-49.40	363.99	2.86	-46.54
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019721211	1	46	-1.0	-56.12	362.04	3.69	-52.43
CCC1=CC=C(C(=O)C(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019721212	0	40	-1.0	-42.44	347.00	4.63	-37.81
CCC1=CC=C(C(=O)C(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019721212	1	40	-1.0	-42.44	347.05	4.65	-37.79
COC1=CC(Br)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1F	REAL300019721213	0	39	-1.0	-44.47	343.36	4.18	-40.29
COC1=CC(Br)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1F	REAL300019721213	1	39	-1.0	-44.47	343.42	4.20	-40.27
CC(C)CC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=N[N-]N=N1	REAL300019721214	0	53	-1.0	-45.93	418.32	3.79	-42.14
CC(C)CC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=NN=N[N-]1	REAL300019721214	1	53	-1.0	-45.98	418.38	3.81	-42.17
CC(C)CC(NC(=O)C1=CC(C2CCCC2)=NN1)C1=N[N-]N=N1	REAL300019721215	0	45	-1.0	-43.96	357.91	3.73	-40.23
CC(C)CC(NC(=O)C1=CC(C2CCCC2)=NN1)C1=NN=N[N-]1	REAL300019721215	1	45	-1.0	-44.00	357.97	3.75	-40.25
CC(C)CC(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300019721216	0	47	-1.0	-48.89	381.83	2.74	-46.15
CC(C)CC(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300019721216	1	47	-1.0	-48.94	381.89	2.75	-46.19
CC(C)CC(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=N[N-]N=N1	REAL300019721217	0	43	-1.0	-47.86	345.55	3.33	-44.53
CC(C)CC(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NN=N[N-]1	REAL300019721217	1	43	-1.0	-47.89	345.61	3.34	-44.55
CC(C)CC(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300019721218	0	43	-1.0	-49.86	361.25	3.15	-46.71
CC(C)CC(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300019721218	1	43	-1.0	-49.86	361.31	3.17	-46.69
COC(=O)C1=CC=CC2=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=CC=C12	REAL300019721219	0	47	-1.0	-47.04	382.29	6.90	-40.14
COC(=O)C1=CC=CC2=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=CC=C12	REAL300019721219	1	47	-1.0	-47.02	382.35	6.91	-40.11
CC(C)CC(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=N[N-]N=N1	REAL300019721220	0	42	-1.0	-43.02	340.81	0.83	-42.19
CC(C)CC(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=NN=N[N-]1	REAL300019721220	1	42	-1.0	-43.02	340.86	0.84	-42.18
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=NC=C1C(F)F	REAL300019721221	0	40	-1.0	-47.26	338.67	3.90	-43.36
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=NC=C1C(F)F	REAL300019721221	1	40	-1.0	-47.26	338.73	3.91	-43.35
CC(C)CC(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=N[N-]N=N1	REAL300019721222	0	43	-1.0	-53.30	361.09	2.45	-50.85
CC(C)CC(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=NN=N[N-]1	REAL300019721222	1	43	-1.0	-53.23	361.15	2.47	-50.76
CC(C)CC(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019721223	0	44	-1.0	-52.61	357.58	2.16	-50.45
CC(C)CC(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019721223	1	44	-1.0	-52.59	357.53	2.14	-50.45
CC(C)CC(NC(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=NN=N[N-]1	REAL300019721224	0	39	-1.0	-48.88	346.13	3.41	-45.47
CC(C)CC(NC(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=N[N-]N=N1	REAL300019721224	1	39	-1.0	-48.88	346.07	3.39	-45.49
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019721225	0	55	-1.0	-46.53	435.07	1.96	-44.57
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019721225	1	55	-1.0	-46.53	435.13	1.97	-44.56
CC(C)CC(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019721226	0	58	-1.0	-46.97	440.50	5.46	-41.51
CC(C)CC(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019721226	1	58	-1.0	-46.95	440.56	5.47	-41.48
CC(C)CC(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019721227	0	55	-1.0	-45.71	421.84	4.02	-41.69
CC(C)CC(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019721227	1	55	-1.0	-45.66	421.90	4.04	-41.62
CC(C)CC(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019721228	0	56	-1.0	-52.36	439.94	4.40	-47.96
CC(C)CC(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019721228	1	56	-1.0	-52.37	440.00	4.41	-47.96
COC1=CC=CC=C1OC(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019721229	0	46	-1.0	-54.78	371.05	5.12	-49.66
COC1=CC=CC=C1OC(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019721229	1	46	-1.0	-54.77	371.10	5.13	-49.64
CC1=C(Cl)C=NN1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019721230	0	38	-1.0	-51.23	334.45	3.22	-48.01
CC1=C(Cl)C=NN1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019721230	1	38	-1.0	-51.24	334.50	3.24	-48.00
CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300019721231	0	49	-1.0	-55.45	394.88	2.64	-52.81
CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300019721231	1	49	-1.0	-55.45	394.93	2.65	-52.80
CCC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300019721232	0	44	-1.0	-48.37	367.74	5.99	-42.38
CC(C)CC(NC(=O)C1CCC(C2CCCO2)O1)C1=N[N-]N=N1	REAL300019721233	0	47	-1.0	-49.37	370.16	3.46	-45.91
CC(C)CC(NC(=O)C1CCC(C2CCCO2)O1)C1=NN=N[N-]1	REAL300019721233	1	47	-1.0	-49.37	370.21	3.48	-45.89
CC(C)CC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=N[N-]N=N1	REAL300019721234	0	38	-1.0	-46.52	342.83	5.59	-40.93
CC(C)CC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NN=N[N-]1	REAL300019721234	1	38	-1.0	-46.48	342.89	5.61	-40.87
CC1=CC(F)=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019721235	0	40	-1.0	-46.93	342.86	5.54	-41.39
CC1=CC(F)=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019721235	1	40	-1.0	-47.01	342.92	5.55	-41.46
CC(C)CC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300019721236	0	40	-1.0	-64.17	334.39	2.83	-61.34
CC(C)CC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300019721236	1	40	-1.0	-64.18	334.33	2.82	-61.36
CC(C)CC(NC(=O)C1=CN=C2OCCCC2=C1)C1=NN=N[N-]1	REAL300019721237	0	42	-1.0	-47.15	340.31	1.71	-45.44
CC(C)CC(NC(=O)C1=CN=C2OCCCC2=C1)C1=N[N-]N=N1	REAL300019721237	1	42	-1.0	-47.13	340.26	1.70	-45.43
CC(C)CC(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=N[N-]N=N1	REAL300019721238	0	40	-1.0	-42.34	345.36	3.43	-38.91
CC(C)CC(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NN=N[N-]1	REAL300019721238	1	40	-1.0	-42.40	345.41	3.45	-38.95
CC(C)CC(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019721239	0	44	-1.0	-41.98	369.24	6.60	-35.38
CC(C)CC(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019721239	1	44	-1.0	-41.98	369.29	6.61	-35.37
CC1=CC2=C(C=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)S2)S1	REAL300019721240	0	38	-1.0	-46.19	342.62	5.47	-40.72
CC1=CC2=C(C=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)S2)S1	REAL300019721240	1	38	-1.0	-46.19	342.68	5.49	-40.70
CC(C)CC(NC(=O)C1CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019721241	0	43	-1.0	-48.14	347.06	6.43	-41.71
CC(C)CC(NC(=O)C1CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019721241	1	43	-1.0	-48.14	347.12	6.44	-41.70
CC(C)CC(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=N[N-]N=N1	REAL300019721242	0	46	-1.0	-52.29	386.11	0.39	-51.90
CC(C)CC(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=NN=N[N-]1	REAL300019721242	1	46	-1.0	-52.25	386.17	0.40	-51.85
CC(C)CC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=N[N-]N=N1	REAL300019721243	0	41	-1.0	-43.72	369.62	6.57	-37.15
CC(C)CC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=NN=N[N-]1	REAL300019721243	1	41	-1.0	-43.73	369.68	6.59	-37.14
CC(C)CC(NC(=O)C1=CN2C=NN=C2C=N1)C1=NN=N[N-]1	REAL300019721244	0	36	-1.0	-45.12	309.67	3.74	-41.38
CC(C)CC(NC(=O)C1=CN2C=NN=C2C=N1)C1=N[N-]N=N1	REAL300019721244	1	36	-1.0	-45.10	309.61	3.72	-41.38
CC(C)CC(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=N[N-]N=N1	REAL300019721245	0	48	-1.0	-46.27	399.10	7.65	-38.62
CC(C)CC(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NN=N[N-]1	REAL300019721245	1	48	-1.0	-46.31	399.15	7.67	-38.64
CON(CCC(=O)NC(CC(C)C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019721246	0	52	-1.0	-49.36	415.06	4.22	-45.14
CON(CCC(=O)NC(CC(C)C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019721246	1	52	-1.0	-49.38	415.11	4.23	-45.15
CC(C)CC(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019721247	0	37	-1.0	-44.27	332.62	2.03	-42.24
CC(C)CC(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019721247	1	37	-1.0	-44.30	332.68	2.05	-42.25
CC(C)CC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300019721248	0	48	-1.0	-43.96	391.92	2.80	-41.16
CC(C)CC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300019721248	1	48	-1.0	-43.96	391.98	2.81	-41.15
CC(C)CC(NC(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL300019721249	0	40	-1.0	-48.62	327.38	4.56	-44.06
CC(C)CC(NC(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL300019721249	1	40	-1.0	-48.59	327.32	4.55	-44.04
COC(=O)C1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C(F)C=N1	REAL300019721250	0	40	-1.0	-46.03	347.16	3.13	-42.90
COC(=O)C1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C(F)C=N1	REAL300019721250	1	40	-1.0	-46.00	347.10	3.12	-42.88
CC1=CC2=C(OCC2)C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019721251	0	43	-1.0	-53.99	347.84	5.59	-48.40
CC1=CC2=C(OCC2)C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019721251	1	43	-1.0	-53.96	347.90	5.60	-48.36
CC(C)CC(NC(=O)C1=C2SC=CC2=CN=C1)C1=NN=N[N-]1	REAL300019721252	0	37	-1.0	-48.87	321.26	3.78	-45.09
CC(C)CC(NC(=O)C1=C2SC=CC2=CN=C1)C1=N[N-]N=N1	REAL300019721252	1	37	-1.0	-48.81	321.20	3.77	-45.04
COC1CC2(C1)CC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)C2	REAL300019721253	0	46	-1.0	-47.17	365.13	3.99	-43.18
COC1CC2(C1)CC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)C2	REAL300019721253	1	46	-1.0	-47.22	365.18	4.00	-43.22
CC(C)CC(NC(=O)CC1=CC=CC=C1COC(C)C)C1=N[N-]N=N1	REAL300019721254	0	51	-1.0	-47.18	407.57	6.34	-40.84
CC(C)CC(NC(=O)CC1=CC=CC=C1COC(C)C)C1=NN=N[N-]1	REAL300019721254	1	51	-1.0	-47.18	407.63	6.36	-40.82
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019721255	0	42	-1.0	-46.94	372.70	6.97	-39.97
CC(C)CC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019721255	1	42	-1.0	-46.93	372.76	6.99	-39.94
CC(C)CC(NC(=O)CC1CCCNC(=O)C1)C1=N[N-]N=N1	REAL300019721256	0	45	-1.0	-60.04	348.34	1.68	-58.36
CC(C)CC(NC(=O)CC1CCCNC(=O)C1)C1=NN=N[N-]1	REAL300019721256	1	45	-1.0	-60.04	348.39	1.70	-58.34
CC(C)CC(NC(=O)CN1C=C(I)C=N1)C1=NN=N[N-]1	REAL300019721257	0	35	-1.0	-52.66	324.63	3.37	-49.29
CC(C)CC(NC(=O)CN1C=C(I)C=N1)C1=N[N-]N=N1	REAL300019721257	1	35	-1.0	-52.65	324.58	3.36	-49.29
CC(C)CC(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=NN=N[N-]1	REAL300019721258	0	38	-1.0	-45.16	338.19	5.15	-40.01
CC(C)CC(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=N[N-]N=N1	REAL300019721258	1	38	-1.0	-45.17	338.13	5.14	-40.03
CC(C)CC(NC(=O)C1=C2N=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300019721259	0	41	-1.0	-61.39	339.44	5.68	-55.71
CC(C)CC(NC(=O)C1=C2N=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300019721259	1	41	-1.0	-61.38	339.38	5.66	-55.72
CC(C)CC(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=N[N-]N=N1	REAL300019721260	0	41	-1.0	-48.52	349.66	2.51	-46.01
CC(C)CC(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=NN=N[N-]1	REAL300019721260	1	41	-1.0	-48.54	349.71	2.53	-46.01
CC(C)CC(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=NN=N[N-]1	REAL300019721261	0	45	-1.0	-54.03	379.49	0.53	-53.50
CC(C)CC(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=N[N-]N=N1	REAL300019721261	1	45	-1.0	-53.99	379.43	0.51	-53.48
CC(C)CC(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=NN=N[N-]1	REAL300019721262	0	35	-1.0	-38.24	325.55	0.58	-37.66
CC(C)CC(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=N[N-]N=N1	REAL300019721262	1	35	-1.0	-38.20	325.49	0.56	-37.64
COC1=C(Cl)C=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C2=NC=CC=C21	REAL300019721263	0	44	-1.0	-52.63	379.58	5.05	-47.58
COC1=C(Cl)C=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C2=NC=CC=C21	REAL300019721263	1	44	-1.0	-52.63	379.53	5.04	-47.59
CC(C)CC(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=NN=N[N-]1	REAL300019721264	0	50	-1.0	-44.67	407.32	4.27	-40.40
CC(C)CC(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=N[N-]N=N1	REAL300019721264	1	50	-1.0	-44.69	407.26	4.25	-40.44
CC(C)CC(NC(=O)C1=CC=CN2N=NC=C12)C1=NN=N[N-]1	REAL300019721265	0	37	-1.0	-54.10	312.02	2.68	-51.42
CC(C)CC(NC(=O)C1=CC=CN2N=NC=C12)C1=N[N-]N=N1	REAL300019721265	1	37	-1.0	-54.08	311.97	2.66	-51.42
O=C(NC1=N[N-]N=N1)C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CS1	REAL300019725202	0	39	-1.0	-50.76	342.83	5.47	-45.29
O=C(NC1=NN=N[N-]1)C1CC2=CC=CC=C2CN1S(=O)(=O)C1=CC=CS1	REAL300019725202	1	39	-1.0	-50.84	342.74	5.48	-45.36
CC1=NN(C2=CC=C(S(N)(=O)=O)C=C2)C(C)=C1CCC(=O)NC1=N[N-]N=N1	REAL300019725203	0	44	-1.0	-51.94	385.09	2.34	-49.60
CC1=NN(C2=CC=C(S(N)(=O)=O)C=C2)C(C)=C1CCC(=O)NC1=NN=N[N-]1	REAL300019725203	1	44	-1.0	-52.05	385.00	2.36	-49.69
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL300019725204	0	32	-1.0	-44.93	294.24	7.14	-37.79
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL300019725204	1	32	-1.0	-44.86	294.34	7.12	-37.74
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=C1OC(F)F	REAL300019725205	0	24	-1.0	-44.80	245.77	5.21	-39.59
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=C1OC(F)F	REAL300019725205	1	24	-1.0	-44.69	245.86	5.19	-39.50
O=C(CCC1=CC(F)=CC=C1Br)NC1=N[N-]N=N1	REAL300019725206	0	26	-1.0	-42.93	257.16	5.83	-37.10
O=C(CCC1=CC(F)=CC=C1Br)NC1=NN=N[N-]1	REAL300019725206	1	26	-1.0	-43.04	257.06	5.84	-37.20
CC1(C(=O)NC2=NN=N[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019725207	0	42	0.0	-56.34	321.37	7.84	-48.50
CC1(C(=O)NC2=N[N-]N=N2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019725207	1	42	0.0	-56.24	321.46	7.83	-48.41
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019725208	0	32	-1.0	-45.40	304.27	4.08	-41.32
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019725208	1	32	-1.0	-45.34	304.37	4.06	-41.28
O=C(NC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019725209	0	27	-2.0	-83.06	277.49	1.21	-81.85
O=C(NC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019725209	1	27	-2.0	-83.00	277.59	1.19	-81.81
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=C(Br)S2)S1	REAL300019725210	0	24	-1.0	-42.26	272.38	6.43	-35.83
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=C(Br)S2)S1	REAL300019725210	1	24	-1.0	-42.24	272.49	6.42	-35.82
CC1=CC(N2CC(C(=O)NC3=N[N-]N=N3)CC2=O)=CC=C1F	REAL300019725211	0	34	-1.0	-43.92	293.52	5.44	-38.48
CC1=CC(N2CC(C(=O)NC3=NN=N[N-]3)CC2=O)=CC=C1F	REAL300019725211	1	34	-1.0	-44.01	293.43	5.45	-38.56
CC1=CC(Br)=CC(Cl)=C1C(=O)NC1=NN=N[N-]1	REAL300019725212	0	23	-1.0	-42.17	247.69	5.23	-36.94
CC1=CC(Br)=CC(Cl)=C1C(=O)NC1=N[N-]N=N1	REAL300019725212	1	23	-1.0	-42.11	247.78	5.22	-36.89
O=C(NC1=NN=N[N-]1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300019725213	0	28	-1.0	-46.55	265.85	2.97	-43.58
O=C(NC1=N[N-]N=N1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300019725213	1	28	-1.0	-46.47	265.95	2.95	-43.52
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NC1=N[N-]N=N1	REAL300019725214	0	34	-1.0	-53.47	318.65	1.88	-51.59
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NC1=NN=N[N-]1	REAL300019725214	1	34	-1.0	-53.54	318.55	1.89	-51.65
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)NC1=NN=N[N-]1	REAL300019725215	0	33	-1.0	-51.86	299.73	-2.08	-53.94
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)NC1=N[N-]N=N1	REAL300019725215	1	33	-1.0	-51.81	299.83	-2.09	-53.90
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)NC1=NN=N[N-]1	REAL300019725216	0	26	-1.0	-53.41	257.09	2.67	-50.74
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)NC1=N[N-]N=N1	REAL300019725216	1	26	-1.0	-53.35	257.19	2.66	-50.69
O=C(NC1=NN=N[N-]1)C12CCC(=O)N1C1=CC=CC=C1C(=O)N2C1CC1	REAL300019725217	0	40	-1.0	-50.48	327.46	5.78	-44.70
O=C(NC1=N[N-]N=N1)C12CCC(=O)N1C1=CC=CC=C1C(=O)N2C1CC1	REAL300019725217	1	40	-1.0	-50.43	327.55	5.76	-44.67
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1	REAL300019725218	0	30	-1.0	-46.55	284.35	5.90	-40.65
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300019725218	1	30	-1.0	-46.65	284.25	5.90	-40.75
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019725219	0	29	-1.0	-42.62	283.96	5.46	-37.16
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019725219	1	29	-1.0	-42.54	284.06	5.45	-37.09
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL300019725220	0	35	-1.0	-45.00	315.74	7.92	-37.08
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL300019725220	1	35	-1.0	-44.94	315.84	7.90	-37.04
O=C(NC1=N[N-]N=N1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300019725221	0	38	-1.0	-42.67	335.23	5.82	-36.85
O=C(NC1=NN=N[N-]1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300019725221	1	38	-1.0	-42.77	335.13	5.83	-36.94
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)NC1=N[N-]N=N1	REAL300019725222	0	27	-1.0	-45.54	273.72	3.98	-41.56
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)NC1=NN=N[N-]1	REAL300019725222	1	27	-1.0	-45.66	273.62	3.99	-41.67
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300019725223	0	26	-1.0	-43.96	252.65	5.25	-38.71
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300019725223	1	26	-1.0	-43.92	252.75	5.24	-38.68
O=C(NC1=NN=N[N-]1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300019725224	0	26	-1.0	-41.92	273.38	2.95	-38.97
O=C(NC1=N[N-]N=N1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300019725224	1	26	-1.0	-41.82	273.48	2.94	-38.88
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NC1=N[N-]N=N1	REAL300019725225	0	35	-1.0	-51.57	303.41	4.85	-46.72
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NC1=NN=N[N-]1	REAL300019725225	1	35	-1.0	-51.68	303.32	4.87	-46.81
CCC1(C(=O)NC2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300019725226	0	43	-1.0	-51.89	325.98	6.04	-45.85
CCC1(C(=O)NC2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300019725226	1	43	-1.0	-51.95	325.90	6.07	-45.88
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300019725227	0	31	-1.0	-45.68	292.84	7.17	-38.51
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300019725227	1	31	-1.0	-45.65	292.93	7.16	-38.49
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NC1=N[N-]N=N1	REAL300019725228	0	37	-1.0	-58.36	327.93	5.45	-52.91
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NC1=NN=N[N-]1	REAL300019725228	1	37	-1.0	-58.44	327.83	5.47	-52.97
O=C(NC1=N[N-]N=N1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300019725229	0	31	-1.0	-49.92	287.26	5.26	-44.66
O=C(NC1=NN=N[N-]1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300019725229	1	31	-1.0	-50.00	287.17	5.27	-44.73
O=C(NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1	REAL300019725230	0	35	-1.0	-45.66	291.19	4.05	-41.61
O=C(NC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1	REAL300019725230	1	35	-1.0	-45.63	291.28	4.03	-41.60
COC1=CC(C(=O)CCC(=O)NC2=N[N-]N=N2)=CC(OC)=C1OC	REAL300019725231	0	40	-1.0	-45.31	345.52	4.26	-41.05
COC1=CC(C(=O)CCC(=O)NC2=NN=N[N-]2)=CC(OC)=C1OC	REAL300019725231	1	40	-1.0	-45.41	345.43	4.27	-41.14
COCC1=NN=C(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)O1	REAL300019725232	0	32	-1.0	-54.45	293.96	-0.48	-54.93
COCC1=NN=C(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)O1	REAL300019725232	1	32	-1.0	-54.37	294.06	-0.49	-54.86
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300019725233	0	27	-1.0	-48.16	282.83	6.20	-41.96
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300019725233	1	27	-1.0	-48.09	282.92	6.19	-41.90
CC1=CC=C(S(=O)(=O)NC(C(=O)NC2=N[N-]N=N2)C(C)O)C=C1	REAL300019725234	0	38	-1.0	-56.72	335.97	-0.64	-57.36
CC1=CC=C(S(=O)(=O)NC(C(=O)NC2=NN=N[N-]2)C(C)O)C=C1	REAL300019725234	1	38	-1.0	-56.80	335.87	-0.62	-57.42
O=C(NC1=N[N-]N=N1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300019725235	0	30	-1.0	-47.60	282.53	0.01	-47.59
O=C(NC1=NN=N[N-]1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300019725235	1	30	-1.0	-47.68	282.44	0.03	-47.65
CN(CCC(=O)NC1=N[N-]N=N1)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21	REAL300019725236	0	48	-1.0	-50.26	407.61	9.79	-40.47
CN(CCC(=O)NC1=NN=N[N-]1)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21	REAL300019725236	1	48	-1.0	-50.35	407.52	9.81	-40.54
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC(Br)=C1	REAL300019725237	0	20	-1.0	-40.10	230.00	5.03	-35.07
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC(Br)=C1	REAL300019725237	1	20	-1.0	-40.01	230.09	5.02	-34.99
O=C(CC(O)(C1=NC2=CC=CC=C2S1)C(F)(F)F)NC1=NN=N[N-]1	REAL300019725238	0	32	-1.0	-42.70	303.18	3.50	-39.20
O=C(CC(O)(C1=NC2=CC=CC=C2S1)C(F)(F)F)NC1=N[N-]N=N1	REAL300019725238	1	32	-1.0	-42.59	303.27	3.49	-39.10
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=NN=N[N-]1	REAL300019725239	0	36	-1.0	-56.69	315.16	3.38	-53.31
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=N[N-]N=N1	REAL300019725239	1	36	-1.0	-56.57	315.26	3.36	-53.21
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019725240	0	30	-1.0	-47.62	299.56	6.35	-41.27
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019725240	1	30	-1.0	-47.71	299.45	6.35	-41.36
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300019725241	0	30	-1.0	-48.98	285.89	5.92	-43.06
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300019725241	1	30	-1.0	-49.11	285.79	5.92	-43.19
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019725242	0	37	-1.0	-47.62	317.41	7.82	-39.80
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019725242	1	37	-1.0	-47.56	317.51	7.79	-39.77
O=C(NC1=NN=N[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300019725243	0	31	-1.0	-43.53	304.57	8.41	-35.12
O=C(NC1=N[N-]N=N1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300019725243	1	31	-1.0	-43.48	304.67	8.41	-35.07
CC(C)N1C(=O)CC(C(=O)NC2=N[N-]N=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300019725244	0	40	-1.0	-44.43	345.45	7.06	-37.37
CC(C)N1C(=O)CC(C(=O)NC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300019725244	1	40	-1.0	-44.48	345.35	7.08	-37.40
CC1=CC=C(SC2CCCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019725245	0	37	-1.0	-48.35	306.23	8.15	-40.20
CC1=CC=C(SC2CCCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019725245	1	37	-1.0	-48.31	306.33	8.14	-40.17
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NC2=N[N-]N=N2)=C1	REAL300019725246	0	40	-1.0	-47.22	333.96	4.71	-42.51
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NC2=NN=N[N-]2)=C1	REAL300019725246	1	40	-1.0	-47.23	333.87	4.73	-42.50
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=C1C(F)(F)F	REAL300019725247	0	23	-1.0	-44.99	238.85	5.46	-39.53
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=C1C(F)(F)F	REAL300019725247	1	23	-1.0	-44.85	238.95	5.44	-39.41
COC1=CC=CC(C2C(C(=O)NC3=N[N-]N=N3)CC(=O)N2C2CC2)=C1	REAL300019725248	0	42	-1.0	-47.74	344.70	6.00	-41.74
COC1=CC=CC(C2C(C(=O)NC3=NN=N[N-]3)CC(=O)N2C2CC2)=C1	REAL300019725248	1	42	-1.0	-47.82	344.60	6.01	-41.81
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019725249	0	32	-1.0	-59.18	295.04	8.14	-51.04
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019725249	1	32	-1.0	-59.16	295.14	8.12	-51.04
COC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCCC2)C=C1OC	REAL300019725250	0	41	-1.0	-49.87	325.71	6.12	-43.75
COC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCCC2)C=C1OC	REAL300019725250	1	41	-1.0	-49.95	325.62	6.14	-43.81
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300019725251	0	31	-1.0	-45.21	303.49	6.31	-38.90
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300019725251	1	31	-1.0	-45.10	303.59	6.30	-38.80
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)NC1=NN=N[N-]1	REAL300019725252	0	36	-1.0	-49.04	318.16	5.98	-43.06
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)NC1=N[N-]N=N1	REAL300019725252	1	36	-1.0	-48.99	318.26	5.97	-43.02
COCCC1=NN=C(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)O1	REAL300019725253	0	35	-1.0	-52.38	315.56	0.28	-52.10
COCCC1=NN=C(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)O1	REAL300019725253	1	35	-1.0	-52.43	315.46	0.30	-52.13
CC(=O)C1=CC=CC(OCC2=CC(C(=O)NC3=N[N-]N=N3)=NO2)=C1	REAL300019725254	0	35	-1.0	-52.53	320.79	4.98	-47.55
CC(=O)C1=CC=CC(OCC2=CC(C(=O)NC3=NN=N[N-]3)=NO2)=C1	REAL300019725254	1	35	-1.0	-52.60	320.69	4.98	-47.62
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1SC1=CC=C(Cl)C=C1	REAL300019725255	0	31	-1.0	-43.17	315.25	8.90	-34.27
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1SC1=CC=C(Cl)C=C1	REAL300019725255	1	31	-1.0	-43.11	315.35	8.89	-34.22
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL300019725256	0	32	-1.0	-44.98	289.14	6.87	-38.11
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL300019725256	1	32	-1.0	-44.90	289.24	6.86	-38.04
CC(C)(C)OC(=O)N1CCCC(COCC(=O)NC2=N[N-]N=N2)C1	REAL300019725257	0	47	-1.0	-58.50	372.91	5.80	-52.70
CC(C)(C)OC(=O)N1CCCC(COCC(=O)NC2=NN=N[N-]2)C1	REAL300019725257	1	47	-1.0	-58.57	372.82	5.81	-52.76
CCC1=C2NC3=C(CCOC3(CC)CC(=O)NC3=N[N-]N=N3)C2=CC=C1	REAL300019725258	0	47	-1.0	-43.38	361.93	7.49	-35.89
CCC1=C2NC3=C(CCOC3(CC)CC(=O)NC3=NN=N[N-]3)C2=CC=C1	REAL300019725258	1	47	-1.0	-43.43	361.84	7.51	-35.92
CN1C(=O)CC(C(=O)NC2=N[N-]N=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300019725259	0	34	-1.0	-47.99	311.09	5.67	-42.32
CN1C(=O)CC(C(=O)NC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300019725259	1	34	-1.0	-48.02	311.00	5.69	-42.33
CC1=CC=CC(C2=NOC(SCC(=O)NC3=NN=N[N-]3)=N2)=C1	REAL300019725260	0	32	-1.0	-45.12	306.15	4.25	-40.87
CC1=CC=CC(C2=NOC(SCC(=O)NC3=N[N-]N=N3)=N2)=C1	REAL300019725260	1	32	-1.0	-45.04	306.25	4.24	-40.80
CC1=NC(COC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=NO1	REAL300019725261	0	32	-1.0	-53.71	290.23	2.62	-51.09
CC1=NC(COC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=NO1	REAL300019725261	1	32	-1.0	-53.62	290.33	2.59	-51.03
CN1C(=O)CC(C(=O)NC2=N[N-]N=N2)C1C1=CC=C(F)C=C1	REAL300019725262	0	34	-1.0	-46.62	296.36	5.39	-41.23
CN1C(=O)CC(C(=O)NC2=NN=N[N-]2)C1C1=CC=C(F)C=C1	REAL300019725262	1	34	-1.0	-46.71	296.27	5.41	-41.30
COC1=C(Br)SC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019725263	0	21	-1.0	-39.98	231.25	2.86	-37.12
COC1=C(Br)SC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019725263	1	21	-1.0	-39.86	231.36	2.85	-37.01
O=C(NC1=N[N-]N=N1)C1COC2=CC=C(Br)C=C21	REAL300019725264	0	25	-1.0	-44.19	245.58	4.09	-40.10
O=C(NC1=NN=N[N-]1)C1COC2=CC=C(Br)C=C21	REAL300019725264	1	25	-1.0	-44.28	245.49	4.10	-40.18
O=C(NC1=NN=N[N-]1)C1=CN=CC(I)=C1	REAL300019725265	0	19	-1.0	-40.68	210.22	3.09	-37.59
O=C(NC1=N[N-]N=N1)C1=CN=CC(I)=C1	REAL300019725265	1	19	-1.0	-40.63	210.31	3.09	-37.54
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)NC1=N[N-]N=N1)C2=O	REAL300019725266	0	41	-1.0	-50.46	322.95	4.09	-46.37
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)NC1=NN=N[N-]1)C2=O	REAL300019725266	1	41	-1.0	-50.53	322.85	4.10	-46.43
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC2=CC=CN=C21	REAL300019725267	0	25	-1.0	-52.37	247.74	5.22	-47.15
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC2=CC=CN=C21	REAL300019725267	1	25	-1.0	-52.30	247.84	5.22	-47.08
CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019725268	0	38	-1.0	-48.81	324.71	8.25	-40.56
CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019725268	1	38	-1.0	-48.87	324.61	8.27	-40.60
CC(C)(C)OC(=O)N1CCC(CCC(=O)NC2=N[N-]N=N2)C1	REAL300019725269	0	43	-1.0	-48.14	344.29	5.33	-42.81
CC(C)(C)OC(=O)N1CCC(CCC(=O)NC2=NN=N[N-]2)C1	REAL300019725269	1	43	-1.0	-48.20	344.19	5.35	-42.85
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300019725270	0	30	-1.0	-50.90	284.28	6.09	-44.81
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300019725270	1	30	-1.0	-50.83	284.38	6.09	-44.74
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2F)N=N1	REAL300019725271	0	26	-1.0	-48.08	265.28	4.10	-43.98
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2F)N=N1	REAL300019725271	1	26	-1.0	-47.99	265.38	4.09	-43.90
O=C(NC1=NN=N[N-]1)C1=C(N2C=CC=C2)SC2=C1CCC2	REAL300019725272	0	32	-1.0	-50.45	285.72	7.48	-42.97
O=C(NC1=N[N-]N=N1)C1=C(N2C=CC=C2)SC2=C1CCC2	REAL300019725272	1	32	-1.0	-50.39	285.84	7.49	-42.90
CC(SC1=NC2=CC=CC=C2S1)C(=O)NC1=NN=N[N-]1	REAL300019725273	0	29	-1.0	-43.95	282.44	5.55	-38.40
CC(SC1=NC2=CC=CC=C2S1)C(=O)NC1=N[N-]N=N1	REAL300019725273	1	29	-1.0	-43.92	282.54	5.53	-38.39
O=C(NC1=N[N-]N=N1)C1=CC2=CC(I)=CC=C2N1	REAL300019725274	0	24	-1.0	-41.49	249.00	4.83	-36.66
O=C(NC1=NN=N[N-]1)C1=CC2=CC(I)=CC=C2N1	REAL300019725274	1	24	-1.0	-41.60	248.90	4.85	-36.75
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC1=N[N-]N=N1	REAL300019725275	0	43	-1.0	-53.79	341.73	5.42	-48.37
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC1=NN=N[N-]1	REAL300019725275	1	43	-1.0	-53.91	341.64	5.43	-48.48
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)NC1=N[N-]N=N1	REAL300019725276	0	33	-1.0	-54.29	305.73	-0.43	-54.72
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)NC1=NN=N[N-]1	REAL300019725276	1	33	-1.0	-54.32	305.64	-0.41	-54.73
O=C(NC1=NN=N[N-]1)C1=CN(C2=CC=C(Br)C=C2)C=N1	REAL300019725277	0	27	-1.0	-47.20	268.54	6.70	-40.50
O=C(NC1=N[N-]N=N1)C1=CN(C2=CC=C(Br)C=C2)C=N1	REAL300019725277	1	27	-1.0	-47.14	268.64	6.69	-40.45
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)N1	REAL300019725278	0	33	-1.0	-50.90	307.09	5.80	-45.10
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)N1	REAL300019725278	1	33	-1.0	-51.10	306.95	5.81	-45.29
CC1=C(C(=O)NC2=N[N-]N=N2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019725278	1	33	-1.0	-44.20	306.34	5.86	-38.34
CC1=C(C(=O)NC2=NN=N[N-]2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019725278	1	33	-1.0	-44.30	306.23	5.87	-38.43
CN(C(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019725279	0	37	-1.0	-49.12	308.96	6.85	-42.27
CN(C(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019725279	1	37	-1.0	-49.06	309.06	6.83	-42.23
O=C(CC1=CNC2=CC=CC(Br)=C12)NC1=N[N-]N=N1	REAL300019725280	0	27	-1.0	-49.40	260.03	4.96	-44.44
O=C(CC1=CNC2=CC=CC(Br)=C12)NC1=NN=N[N-]1	REAL300019725280	1	27	-1.0	-49.51	259.93	4.98	-44.53
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C(=O)C=C1	REAL300019725281	0	29	-1.0	-45.46	276.80	4.45	-41.01
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C(=O)C=C1	REAL300019725281	1	29	-1.0	-45.40	276.90	4.45	-40.95
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL300019725282	0	43	-1.0	-41.58	358.48	5.76	-35.82
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL300019725282	1	43	-1.0	-41.62	358.38	5.77	-35.85
O=C(NC1=NN=N[N-]1)C1CCN(C2=CN=CC3=NN=NN32)CC1	REAL300019725283	0	35	-1.0	-51.71	290.43	3.43	-48.28
O=C(NC1=N[N-]N=N1)C1CCN(C2=CN=CC3=NN=NN32)CC1	REAL300019725283	1	35	-1.0	-51.66	290.52	3.41	-48.25
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300019725284	0	30	-1.0	-49.81	280.40	7.56	-42.25
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300019725284	1	30	-1.0	-49.74	280.49	7.55	-42.19
CCS(=O)(=O)C1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL300019725285	0	35	-1.0	-50.11	315.71	3.69	-46.42
CCS(=O)(=O)C1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL300019725285	1	35	-1.0	-50.20	315.61	3.71	-46.49
O=C(COC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)NC1=N[N-]N=N1	REAL300019725286	0	30	-1.0	-45.09	298.86	6.34	-38.75
O=C(COC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)NC1=NN=N[N-]1	REAL300019725286	1	30	-1.0	-45.14	298.76	6.35	-38.79
O=C(CC1=CC=C(S(=O)(=O)N2CCOCC2)S1)NC1=N[N-]N=N1	REAL300019725287	0	36	-1.0	-51.63	332.26	1.22	-50.41
O=C(CC1=CC=C(S(=O)(=O)N2CCOCC2)S1)NC1=NN=N[N-]1	REAL300019725287	1	36	-1.0	-51.72	332.16	1.24	-50.48
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=C1N1C=NC=N1	REAL300019725288	0	26	-1.0	-51.13	259.88	7.23	-43.90
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=C1N1C=NC=N1	REAL300019725288	1	26	-1.0	-51.05	259.98	7.21	-43.84
N#CC1=CC=CC=C1OC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1Cl	REAL300019725289	0	32	-1.0	-45.43	313.09	7.61	-37.82
N#CC1=CC=CC=C1OC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1Cl	REAL300019725289	1	32	-1.0	-45.38	313.19	7.61	-37.77
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1	REAL300019725290	0	36	-1.0	-44.83	313.00	8.14	-36.69
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1	REAL300019725290	1	36	-1.0	-44.78	313.09	8.13	-36.65
CC(=O)C1=CC=C(OC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL300019725291	0	36	-1.0	-48.26	317.39	7.10	-41.16
CC(=O)C1=CC=C(OC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL300019725291	1	36	-1.0	-48.24	317.49	7.10	-41.14
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)NC1=N[N-]N=N1	REAL300019725292	0	36	-1.0	-40.00	300.93	2.27	-37.73
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)NC1=NN=N[N-]1	REAL300019725292	1	36	-1.0	-40.05	300.84	2.29	-37.76
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1	REAL300019725293	0	33	-1.0	-51.04	309.33	6.89	-44.15
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1	REAL300019725293	1	33	-1.0	-50.94	309.43	6.89	-44.05
COC(=O)CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL300019725294	0	35	-1.0	-44.56	328.20	7.18	-37.38
COC(=O)CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL300019725294	1	35	-1.0	-44.53	328.30	7.16	-37.37
O=C(NC1=NN=N[N-]1)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1	REAL300019725295	0	34	-1.0	-48.91	299.13	5.82	-43.09
O=C(NC1=N[N-]N=N1)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1	REAL300019725295	1	34	-1.0	-48.90	299.52	5.80	-43.10
O=C(NC1=NN=N[N-]1)C1=CC(I)=CC([N+](=O)[O-])=C1	REAL300019725296	0	22	-1.0	-40.73	243.38	5.57	-35.16
O=C(NC1=N[N-]N=N1)C1=CC(I)=CC([N+](=O)[O-])=C1	REAL300019725296	1	22	-1.0	-40.64	243.48	5.56	-35.08
CC1=NN(C2=CC=CC=N2)C2=NC(C3CC3)=CC(C(=O)NC3=NN=N[N-]3)=C12	REAL300019725297	0	41	-1.0	-46.88	346.95	8.29	-38.59
CC1=NN(C2=CC=CC=N2)C2=NC(C3CC3)=CC(C(=O)NC3=N[N-]N=N3)=C12	REAL300019725297	1	41	-1.0	-46.81	347.05	8.29	-38.52
CCC(C)(C)C1=CC=C(OCCCC(=O)NC2=N[N-]N=N2)C(C(C)(C)CC)=C1	REAL300019725298	0	60	-1.0	-46.29	441.17	10.88	-35.41
CCC(C)(C)C1=CC=C(OCCCC(=O)NC2=NN=N[N-]2)C(C(C)(C)CC)=C1	REAL300019725298	1	60	-1.0	-46.38	441.07	10.90	-35.48
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300019725299	0	23	-1.0	-40.25	247.41	5.42	-34.83
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300019725299	1	23	-1.0	-40.15	247.51	5.39	-34.76
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL300019725300	0	33	-1.0	-43.72	306.42	5.42	-38.30
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL300019725300	1	33	-1.0	-43.65	306.51	5.40	-38.25
CC1=NN(C2=CC=C(Br)C=C2)C=C1C(=O)NC1=N[N-]N=N1	REAL300019725301	0	30	-1.0	-44.40	287.87	6.17	-38.23
CC1=NN(C2=CC=C(Br)C=C2)C=C1C(=O)NC1=NN=N[N-]1	REAL300019725301	1	30	-1.0	-44.49	287.77	6.19	-38.30
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)NC1=N[N-]N=N1	REAL300019725302	0	46	-1.0	-45.49	338.10	4.40	-41.09
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)NC1=NN=N[N-]1	REAL300019725302	1	46	-1.0	-45.54	338.00	4.42	-41.12
CC1=C(C(=O)NC2=N[N-]N=N2)C=NN1CCOC1CCCCO1	REAL300019725303	0	41	-1.0	-45.99	338.47	4.30	-41.69
CC1=C(C(=O)NC2=NN=N[N-]2)C=NN1CCOC1CCCCO1	REAL300019725303	1	41	-1.0	-46.07	338.37	4.32	-41.75
O=C(CCC1=CC(Br)=CC=C1F)NC1=N[N-]N=N1	REAL300019725304	0	26	-1.0	-43.59	260.29	5.93	-37.66
O=C(CCC1=CC(Br)=CC=C1F)NC1=NN=N[N-]1	REAL300019725304	1	26	-1.0	-43.69	260.20	5.94	-37.75
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019725305	0	30	-1.0	-48.29	301.07	6.60	-41.69
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019725305	1	30	-1.0	-48.34	300.97	6.61	-41.73
O=C(CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)NC1=N[N-]N=N1	REAL300019725306	0	31	-1.0	-52.16	307.14	6.86	-45.30
O=C(CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)NC1=NN=N[N-]1	REAL300019725306	1	31	-1.0	-52.26	307.05	6.88	-45.38
O=C(NC1=NN=N[N-]1)C1=CC(N2CCCC2=O)=CC=C1Cl	REAL300019725307	0	31	-1.0	-55.84	277.21	5.45	-50.39
O=C(NC1=N[N-]N=N1)C1=CC(N2CCCC2=O)=CC=C1Cl	REAL300019725307	1	31	-1.0	-55.75	277.30	5.43	-50.32
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1OC(F)F	REAL300019725308	0	30	-1.0	-48.24	270.40	6.87	-41.37
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1OC(F)F	REAL300019725308	1	30	-1.0	-48.15	270.49	6.86	-41.29
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL300019725309	0	32	-1.0	-48.01	293.44	4.48	-43.53
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL300019725309	1	32	-1.0	-48.09	293.34	4.50	-43.59
CC(C)(C)OC(=O)NCCN(CC(=O)NC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019725310	0	53	-1.0	-50.97	425.85	4.30	-46.67
CC(C)(C)OC(=O)NCCN(CC(=O)NC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019725310	1	53	-1.0	-50.99	425.76	4.31	-46.68
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=N[N-]N=N2)CCCCC1	REAL300019725311	0	49	-1.0	-49.88	361.55	5.06	-44.82
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=NN=N[N-]2)CCCCC1	REAL300019725311	1	49	-1.0	-49.99	361.46	5.07	-44.92
O=C(CCC(=O)C1=CC=C2NC(=O)CCC2=C1)NC1=N[N-]N=N1	REAL300019725312	0	36	-1.0	-46.59	313.39	4.29	-42.30
O=C(CCC(=O)C1=CC=C2NC(=O)CCC2=C1)NC1=NN=N[N-]1	REAL300019725312	1	36	-1.0	-46.67	313.30	4.31	-42.36
O=C(NC1=N[N-]N=N1)C1=CC=C(I)C(O)=C1	REAL300019725313	0	21	-1.0	-42.97	225.19	2.10	-40.87
O=C(NC1=NN=N[N-]1)C1=CC=C(I)C(O)=C1	REAL300019725313	1	21	-1.0	-43.02	225.09	2.11	-40.91
O=C(NC1=N[N-]N=N1)C1=CC=C(I)C([O-])=C1	REAL300019725313	1	20	-2.0	-85.02	221.62	2.84	-82.18
O=C(NC1=NN=N[N-]1)C1=CC=C(I)C([O-])=C1	REAL300019725313	1	20	-2.0	-85.01	221.53	2.85	-82.16
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC=C1SC1=CC=CC=C1	REAL300019725314	0	31	-1.0	-52.00	296.95	7.72	-44.28
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC=C1SC1=CC=CC=C1	REAL300019725314	1	31	-1.0	-51.93	297.05	7.70	-44.23
CC(C)(C)OC(=O)NCCN(CC(=O)NC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019725315	0	51	-1.0	-49.51	401.10	3.65	-45.86
CC(C)(C)OC(=O)NCCN(CC(=O)NC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019725315	1	51	-1.0	-49.59	401.00	3.65	-45.94
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(=O)NC1=N[N-]N=N1	REAL300019725316	0	47	-1.0	-61.96	382.56	3.26	-58.70
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(=O)NC1=NN=N[N-]1	REAL300019725316	1	47	-1.0	-62.03	382.47	3.28	-58.75
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)NC1=NN=N[N-]1	REAL300019725317	0	29	-1.0	-45.04	284.75	3.59	-41.45
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)NC1=N[N-]N=N1	REAL300019725317	1	29	-1.0	-44.96	284.84	3.58	-41.38
O=C(NC1=NN=N[N-]1)C1=C2N=C(C3=CC=CS3)NC2=CC=C1	REAL300019725318	0	30	-1.0	-59.90	284.37	5.48	-54.42
O=C(NC1=N[N-]N=N1)C1=C2N=C(C3=CC=CS3)NC2=CC=C1	REAL300019725318	1	30	-1.0	-59.80	284.47	5.48	-54.32
CC1=NC=CC(NCC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=N1	REAL300019725319	0	36	-1.0	-49.96	315.53	5.27	-44.69
CC1=NC=CC(NCC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=N1	REAL300019725319	1	36	-1.0	-50.02	315.43	5.29	-44.73
O=C(NC1=NN=N[N-]1)C1=CC=CC(SC2=CC=C(Cl)C=C2)=C1[N+](=O)[O-]	REAL300019725320	0	33	-1.0	-55.74	331.05	10.27	-45.47
O=C(NC1=N[N-]N=N1)C1=CC=CC(SC2=CC=C(Cl)C=C2)=C1[N+](=O)[O-]	REAL300019725320	1	33	-1.0	-55.70	331.15	10.24	-45.46
O=C(NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C(SC2=CC=C(Cl)C=C2)=C1	REAL300019725321	0	33	-1.0	-42.13	328.27	8.97	-33.16
O=C(NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C(SC2=CC=C(Cl)C=C2)=C1	REAL300019725321	1	33	-1.0	-42.08	328.37	8.94	-33.14
CC(C)(C)OC(=O)N1CC2CC(C(=O)NC3=N[N-]N=N3)CC(C1)C2=O	REAL300019725322	0	46	-1.0	-47.96	349.53	5.99	-41.97
CC(C)(C)OC(=O)N1CC2CC(C(=O)NC3=NN=N[N-]3)CC(C1)C2=O	REAL300019725322	1	46	-1.0	-47.99	349.43	6.01	-41.98
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=N[N-]N=N3)=NO2)CC1	REAL300019725323	0	45	-1.0	-42.06	361.00	4.26	-37.80
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=NN=N[N-]3)=NO2)CC1	REAL300019725323	1	45	-1.0	-42.15	360.90	4.27	-37.88
O=C(CCCC(=O)C1=CC=C2OCCOC2=C1)NC1=N[N-]N=N1	REAL300019725324	0	37	-1.0	-59.26	319.70	5.05	-54.21
O=C(CCCC(=O)C1=CC=C2OCCOC2=C1)NC1=NN=N[N-]1	REAL300019725324	1	37	-1.0	-59.35	319.61	5.06	-54.29
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL300019725325	0	39	-1.0	-45.63	330.76	2.38	-43.25
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL300019725325	1	39	-1.0	-45.73	330.67	2.39	-43.34
O=C(NC1=N[N-]N=N1)C1=NOC(COC2=CC=CC=C2F)=C1	REAL300019725326	0	30	-1.0	-47.89	284.25	4.57	-43.32
O=C(NC1=NN=N[N-]1)C1=NOC(COC2=CC=CC=C2F)=C1	REAL300019725326	1	30	-1.0	-47.96	284.15	4.57	-43.39
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)NC1=NN=N[N-]1	REAL300019725327	0	34	-1.0	-45.61	314.78	5.89	-39.72
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)NC1=N[N-]N=N1	REAL300019725327	1	34	-1.0	-45.56	314.87	5.88	-39.68
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=CC=C1I	REAL300019725328	0	20	-1.0	-46.02	233.10	5.07	-40.95
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=CC=C1I	REAL300019725328	1	20	-1.0	-45.95	233.20	5.07	-40.88
CC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2=N[N-]N=N2)C=C1	REAL300019725329	0	40	-1.0	-52.32	319.05	7.60	-44.72
CC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2=NN=N[N-]2)C=C1	REAL300019725329	1	40	-1.0	-52.40	318.96	7.61	-44.79
CCNS(=O)(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL300019725330	0	34	-1.0	-51.73	309.79	1.50	-50.23
CCNS(=O)(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL300019725330	1	34	-1.0	-51.82	309.70	1.52	-50.30
O=C(NC1=N[N-]N=N1)C1=CC=CC(I)=C1[O-]	REAL300019725331	0	20	-2.0	-102.96	219.47	4.40	-98.56
O=C(NC1=NN=N[N-]1)C1=CC=CC(I)=C1[O-]	REAL300019725331	1	20	-2.0	-103.03	219.37	4.41	-98.62
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1	REAL300019725332	0	39	-1.0	-45.21	337.63	9.01	-36.20
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1	REAL300019725332	1	39	-1.0	-45.15	337.73	9.00	-36.15
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300019725333	0	34	-1.0	-45.23	301.55	7.99	-37.24
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300019725333	1	34	-1.0	-45.13	301.65	7.98	-37.15
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300019725334	0	30	-1.0	-54.86	278.68	6.40	-48.46
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300019725334	1	30	-1.0	-54.81	278.78	6.39	-48.42
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1SC1=CC=C(Cl)C=C1	REAL300019725335	0	31	-1.0	-42.68	316.96	8.94	-33.74
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1SC1=CC=C(Cl)C=C1	REAL300019725335	1	31	-1.0	-42.63	317.06	8.93	-33.70
COC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)C=C1OC	REAL300019725336	0	38	-1.0	-47.91	314.72	5.26	-42.65
COC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)C=C1OC	REAL300019725336	1	38	-1.0	-47.99	314.63	5.27	-42.72
CCCCSC1=CC=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL300019725337	0	33	-1.0	-44.98	304.30	7.76	-37.22
CCCCSC1=CC=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL300019725337	1	33	-1.0	-44.90	304.39	7.75	-37.15
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1SC1=CC=CC(F)=C1	REAL300019725338	0	34	-1.0	-44.76	327.23	8.93	-35.83
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1SC1=CC=CC(F)=C1	REAL300019725338	1	34	-1.0	-44.73	327.34	8.92	-35.81
CCC(CC)(C(=O)NC1=N[N-]N=N1)C1=CC=C(OC)C(OC)=C1	REAL300019725339	0	43	-1.0	-50.56	328.36	5.39	-45.17
CCC(CC)(C(=O)NC1=NN=N[N-]1)C1=CC=C(OC)C(OC)=C1	REAL300019725339	1	43	-1.0	-50.65	328.27	5.40	-45.25
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300019725340	0	34	-1.0	-46.07	321.64	9.09	-36.98
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300019725340	1	34	-1.0	-46.01	321.74	9.07	-36.94
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2=N[N-]N=N2)C=C1	REAL300019725341	0	41	-1.0	-52.82	326.95	6.24	-46.58
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2=NN=N[N-]2)C=C1	REAL300019725341	1	41	-1.0	-52.91	326.85	6.25	-46.66
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019725342	0	31	-2.0	-108.00	288.33	1.28	-106.72
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019725342	1	31	-2.0	-108.08	288.23	1.30	-106.78
O=C(CSC1=NN=C(C2=CC=CN=C2)N1CC1=CC=CO1)NC1=N[N-]N=N1	REAL300019725343	0	39	-1.0	-48.40	357.58	6.94	-41.46
O=C(CSC1=NN=C(C2=CC=CN=C2)N1CC1=CC=CO1)NC1=NN=N[N-]1	REAL300019725343	1	39	-1.0	-48.51	357.49	6.95	-41.56
O=C(CSC1=NN=C(C2=CC=NC=C2)N1CC1=CC=CO1)NC1=N[N-]N=N1	REAL300019725344	0	39	-1.0	-47.05	357.89	6.93	-40.12
O=C(CSC1=NN=C(C2=CC=NC=C2)N1CC1=CC=CO1)NC1=NN=N[N-]1	REAL300019725344	1	39	-1.0	-47.12	357.79	6.93	-40.19
O=C(NC1=NN=N[N-]1)C1=NC=C(Br)C=C1Br	REAL300019725345	0	19	-1.0	-40.85	222.24	3.30	-37.55
O=C(NC1=N[N-]N=N1)C1=NC=C(Br)C=C1Br	REAL300019725345	1	19	-1.0	-40.76	222.33	3.30	-37.46
O=C(NC1=NN=N[N-]1)C1=C(F)C=CC=C1SC1=CC=C(Cl)C=C1	REAL300019725346	0	31	-1.0	-48.83	311.92	8.18	-40.65
O=C(NC1=N[N-]N=N1)C1=C(F)C=CC=C1SC1=CC=C(Cl)C=C1	REAL300019725346	1	31	-1.0	-48.77	312.04	8.17	-40.60
O=C(NC1=NN=N[N-]1)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1	REAL300019725347	0	31	-1.0	-43.31	304.92	8.44	-34.87
O=C(NC1=N[N-]N=N1)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1	REAL300019725347	1	31	-1.0	-43.25	305.02	8.43	-34.82
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1SC1=CC=CC=C1	REAL300019725348	0	31	-1.0	-45.00	297.28	8.31	-36.69
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1SC1=CC=CC=C1	REAL300019725348	1	31	-1.0	-44.90	297.38	8.29	-36.61
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019725349	0	34	-1.0	-46.08	318.88	9.00	-37.08
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019725349	1	34	-1.0	-46.03	318.95	8.99	-37.04
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019725350	0	29	-1.0	-42.68	297.45	4.06	-38.62
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019725350	1	29	-1.0	-42.59	297.54	4.04	-38.55
O=C(NC1=NN=N[N-]1)C1=CC=CC(F)=C1SC1=CC=CC=C1	REAL300019725351	0	31	-1.0	-50.37	289.19	7.93	-42.44
O=C(NC1=N[N-]N=N1)C1=CC=CC(F)=C1SC1=CC=CC=C1	REAL300019725351	1	31	-1.0	-50.29	289.29	7.92	-42.37
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)NC1=N[N-]N=N1	REAL300019725352	0	43	-1.0	-57.07	323.31	5.89	-51.18
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)NC1=NN=N[N-]1	REAL300019725352	1	43	-1.0	-57.20	323.20	5.90	-51.30
COC1=CC=C(C(=O)CCCCC(=O)NC2=N[N-]N=N2)C=C1	REAL300019725353	0	38	-1.0	-47.64	326.06	5.99	-41.65
COC1=CC=C(C(=O)CCCCC(=O)NC2=NN=N[N-]2)C=C1	REAL300019725353	1	38	-1.0	-47.71	325.97	6.00	-41.71
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL300019725354	0	36	-1.0	-52.59	314.01	6.46	-46.13
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL300019725354	1	36	-1.0	-52.51	314.11	6.45	-46.06
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL300019725355	0	35	-1.0	-53.82	311.99	3.51	-50.31
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL300019725355	1	35	-1.0	-53.96	311.90	3.52	-50.44
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019725356	0	30	-2.0	-119.49	285.60	4.44	-115.05
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019725356	1	30	-2.0	-119.58	285.50	4.46	-115.12
CCCN1C(=O)CC(C(=O)NC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL300019727202	0	40	-1.0	-47.52	334.12	7.12	-40.40
CCCN1C(=O)CC(C(=O)NC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL300019727202	1	40	-1.0	-47.62	334.03	7.14	-40.48
COC1=CC(CC(NC(=O)OC(C)(C)C)C(=O)NC2=N[N-]N=N2)=CC=C1O	REAL300019727203	0	48	-1.0	-51.54	395.90	2.75	-48.79
COC1=CC(CC(NC(=O)OC(C)(C)C)C(=O)NC2=NN=N[N-]2)=CC=C1O	REAL300019727203	1	48	-1.0	-51.68	395.81	2.77	-48.91
COC(=O)C1=C(NC(=O)C(F)(F)F)C=C(C(=O)NC2=NN=N[N-]2)S1	REAL300019727204	0	30	-1.0	-43.34	305.94	3.06	-40.28
COC(=O)C1=C(NC(=O)C(F)(F)F)C=C(C(=O)NC2=N[N-]N=N2)S1	REAL300019727204	1	30	-1.0	-43.25	306.04	3.04	-40.21
CC(C)(C)OC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)NC1=N[N-]N=N1)(C3)C2	REAL300019727205	0	57	-1.0	-51.69	410.67	6.19	-45.50
CC(C)(C)OC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)NC1=NN=N[N-]1)(C3)C2	REAL300019727205	1	57	-1.0	-51.77	410.57	6.19	-45.58
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CCC(C(F)F)CC1	REAL300019727206	0	46	-1.0	-50.85	361.21	5.28	-45.57
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CCC(C(F)F)CC1	REAL300019727206	1	46	-1.0	-50.96	361.11	5.29	-45.67
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=N[N-]N=N3)(C1)C1(CCC1)O2	REAL300019727207	0	49	-1.0	-44.65	385.61	3.66	-40.99
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=NN=N[N-]3)(C1)C1(CCC1)O2	REAL300019727207	1	49	-1.0	-44.69	385.52	3.68	-41.01
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)NC1=N[N-]N=N1)C2	REAL300019727208	0	45	-1.0	-44.27	363.69	2.38	-41.89
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)NC1=NN=N[N-]1)C2	REAL300019727208	1	45	-1.0	-44.40	363.60	2.39	-42.01
CC(C)(C)OC(=O)NC1=C(C(=O)NC2=N[N-]N=N2)SC(Cl)=C1	REAL300019727209	0	34	-1.0	-40.13	312.04	3.86	-36.27
CC(C)(C)OC(=O)NC1=C(C(=O)NC2=NN=N[N-]2)SC(Cl)=C1	REAL300019727209	1	34	-1.0	-40.22	311.93	3.87	-36.35
COC(=O)[C@@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019727210	0	39	-1.0	-50.46	331.90	2.81	-47.65
COC(=O)[C@@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019727210	1	39	-1.0	-50.54	331.80	2.82	-47.72
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1CC(=O)NC1=N[N-]N=N1	REAL300019727211	0	47	-1.0	-53.35	359.85	7.90	-45.45
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1CC(=O)NC1=NN=N[N-]1	REAL300019727211	1	47	-1.0	-53.41	359.76	7.91	-45.50
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL300019727212	0	50	-1.0	-48.65	409.39	7.68	-40.97
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL300019727212	1	50	-1.0	-48.58	409.49	7.67	-40.91
CC(C)(C)OC(=O)N1CC2(CC1CC(=O)NC1=N[N-]N=N1)CCOCC2	REAL300019727213	0	51	-1.0	-46.46	387.89	4.99	-41.47
CC(C)(C)OC(=O)N1CC2(CC1CC(=O)NC1=NN=N[N-]1)CCOCC2	REAL300019727213	1	51	-1.0	-46.52	387.80	5.00	-41.52
CC(C)(C)OC(=O)N1CCC(CC(=O)NC2=N[N-]N=N2)CC12CC2	REAL300019727214	0	47	-1.0	-45.55	361.27	6.41	-39.14
CC(C)(C)OC(=O)N1CCC(CC(=O)NC2=NN=N[N-]2)CC12CC2	REAL300019727214	1	47	-1.0	-45.59	361.18	6.41	-39.18
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)NC3=N[N-]N=N3)=CC2=C1	REAL300019727215	0	41	-1.0	-48.86	343.43	3.97	-44.89
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)NC3=NN=N[N-]3)=CC2=C1	REAL300019727215	1	41	-1.0	-48.96	343.33	3.98	-44.98
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=C1	REAL300019727216	0	50	-1.0	-48.76	409.40	7.68	-41.08
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=C1	REAL300019727216	1	50	-1.0	-48.69	409.50	7.66	-41.03
CC1=NSC(I)=C1C(=O)NC1=N[N-]N=N1	REAL300019727217	0	19	-1.0	-38.26	224.09	2.98	-35.28
CC1=NSC(I)=C1C(=O)NC1=NN=N[N-]1	REAL300019727217	1	19	-1.0	-38.28	223.99	3.01	-35.27
CC1=C(C(=O)NC2=NN=N[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019727218	0	30	-1.0	-41.77	277.72	5.42	-36.35
CC1=C(C(=O)NC2=N[N-]N=N2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019727218	1	30	-1.0	-41.71	277.82	5.41	-36.30
O=C(NC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2	REAL300019727219	0	34	-1.0	-45.32	298.99	7.88	-37.44
O=C(NC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2	REAL300019727219	1	34	-1.0	-45.38	298.89	7.89	-37.49
N#CC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C(Br)=C1	REAL300019727220	0	27	-1.0	-45.07	271.54	6.12	-38.95
N#CC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C(Br)=C1	REAL300019727220	1	27	-1.0	-45.14	271.44	6.14	-39.00
CC1=CC=C(N2N=C(C(=O)NC3=N[N-]N=N3)C3=C2CCC3)C=C1Br	REAL300019727221	0	37	-1.0	-47.84	333.80	7.92	-39.92
CC1=CC=C(N2N=C(C(=O)NC3=NN=N[N-]3)C3=C2CCC3)C=C1Br	REAL300019727221	1	37	-1.0	-47.88	333.70	7.92	-39.96
O=C(NC1=N[N-]N=N1)C(F)(F)C1=CSC=C1Br	REAL300019727222	0	20	-1.0	-40.00	229.60	3.98	-36.02
O=C(NC1=NN=N[N-]1)C(F)(F)C1=CSC=C1Br	REAL300019727222	1	20	-1.0	-40.07	229.50	4.00	-36.07
COCCCCC(CC1=CC=C(Br)C=C1)C(=O)NC1=N[N-]N=N1	REAL300019727223	0	42	-1.0	-50.08	370.20	7.62	-42.46
COCCCCC(CC1=CC=C(Br)C=C1)C(=O)NC1=NN=N[N-]1	REAL300019727223	1	42	-1.0	-50.18	370.08	7.65	-42.53
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1CCC2=CC=CC=C21	REAL300019727224	0	47	-1.0	-42.73	373.63	7.13	-35.60
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1CCC2=CC=CC=C21	REAL300019727224	1	47	-1.0	-42.79	373.54	7.14	-35.65
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CC12CCC2	REAL300019727225	0	44	-1.0	-45.39	353.26	4.74	-40.65
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CC12CCC2	REAL300019727225	1	44	-1.0	-45.41	353.16	4.75	-40.66
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC(F)=C1F	REAL300019727226	0	20	-1.0	-43.59	219.54	4.58	-39.01
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC(F)=C1F	REAL300019727226	1	20	-1.0	-43.52	219.64	4.55	-38.97
CC(C)(C)OC(=O)NCC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL300019727227	0	47	-1.0	-49.12	387.97	6.26	-42.86
CC(C)(C)OC(=O)NCC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL300019727227	1	47	-1.0	-49.17	387.88	6.28	-42.89
CC(C)(C)OC(=O)NCC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=C1	REAL300019727228	0	47	-1.0	-47.71	387.96	6.27	-41.44
CC(C)(C)OC(=O)NCC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=C1	REAL300019727228	1	47	-1.0	-47.79	387.86	6.28	-41.51
CC(C)(C)OC(=O)NCC1=CC=CC=C1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019727229	0	50	-1.0	-50.39	410.07	7.69	-42.70
CC(C)(C)OC(=O)NCC1=CC=CC=C1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019727229	1	50	-1.0	-50.31	410.16	7.68	-42.63
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727230	0	46	-1.0	-49.42	366.85	6.36	-43.06
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727230	1	46	-1.0	-49.49	366.76	6.37	-43.12
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NCC2C(=O)NC1=N[N-]N=N1	REAL300019727231	0	51	-1.0	-54.53	377.17	3.56	-50.97
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NCC2C(=O)NC1=NN=N[N-]1	REAL300019727231	1	51	-1.0	-54.55	377.08	3.58	-50.97
C[C@@H]1CCC[C@H](C(=O)NC2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL300019727232	0	43	-1.0	-56.06	325.56	5.84	-50.22
C[C@@H]1CCC[C@H](C(=O)NC2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL300019727232	1	43	-1.0	-56.16	325.46	5.85	-50.31
C=CCOCC1(C(=O)NC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)CCO1	REAL300019727233	0	49	-1.0	-53.85	391.34	4.35	-49.50
C=CCOCC1(C(=O)NC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)CCO1	REAL300019727233	1	49	-1.0	-53.90	391.24	4.37	-49.53
CCC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727234	0	49	-1.0	-48.53	386.86	7.10	-41.43
CCC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727234	1	49	-1.0	-48.54	386.77	7.12	-41.42
COC(=O)[C@@]12CC[C@]1(C(=O)NC1=N[N-]N=N1)CN(C(=O)OC(C)(C)C)C2	REAL300019727235	0	47	-1.0	-56.68	374.30	5.45	-51.23
COC(=O)[C@@]12CC[C@]1(C(=O)NC1=NN=N[N-]1)CN(C(=O)OC(C)(C)C)C2	REAL300019727235	1	47	-1.0	-56.78	374.21	5.47	-51.31
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NC2=N[N-]N=N2)CC1	REAL300019727236	0	44	-1.0	-54.68	337.99	6.22	-48.46
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NC2=NN=N[N-]2)CC1	REAL300019727236	1	44	-1.0	-54.76	337.89	6.24	-48.52
CCOC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NC2=N[N-]N=N2)C=C1	REAL300019727237	0	47	-1.0	-49.07	385.53	4.84	-44.23
CCOC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NC2=NN=N[N-]2)C=C1	REAL300019727237	1	47	-1.0	-49.08	385.44	4.84	-44.24
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=N[N-]N=N1	REAL300019727238	0	44	-1.0	-43.91	339.56	4.47	-39.44
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=NN=N[N-]1	REAL300019727238	1	44	-1.0	-43.98	339.47	4.49	-39.49
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1CCCCO1	REAL300019727239	0	44	-1.0	-41.49	344.20	2.30	-39.19
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1CCCCO1	REAL300019727239	1	44	-1.0	-41.56	344.11	2.33	-39.23
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NC1=N[N-]N=N1)C2	REAL300019727240	0	44	-1.0	-47.07	341.19	5.17	-41.90
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NC1=NN=N[N-]1)C2	REAL300019727240	1	44	-1.0	-47.11	341.10	5.18	-41.93
CC(C)(C)OC(=O)N[C@@H](CCSC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL300019727241	0	40	-1.0	-39.67	354.19	3.86	-35.81
CC(C)(C)OC(=O)N[C@@H](CCSC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL300019727241	1	40	-1.0	-39.70	354.10	3.88	-35.82
CC(C)(C)OC(=O)NCC1=CC=CC=C1CCC(=O)NC1=N[N-]N=N1	REAL300019727242	0	46	-1.0	-49.29	374.52	5.82	-43.47
CC(C)(C)OC(=O)NCC1=CC=CC=C1CCC(=O)NC1=NN=N[N-]1	REAL300019727242	1	46	-1.0	-49.34	374.42	5.84	-43.50
CC(C)(C)OC(=O)N1CCS(=O)(=O)CC(C(=O)NC2=N[N-]N=N2)C1	REAL300019727243	0	43	-1.0	-54.57	349.24	2.25	-52.32
CC(C)(C)OC(=O)N1CCS(=O)(=O)CC(C(=O)NC2=NN=N[N-]2)C1	REAL300019727243	1	43	-1.0	-54.60	349.15	2.27	-52.33
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL300019727244	0	50	-1.0	-50.61	409.48	7.69	-42.92
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL300019727244	1	50	-1.0	-50.53	409.58	7.67	-42.86
CC1=C(F)C=CC(Br)=C1C(=O)NC1=NN=N[N-]1	REAL300019727245	0	23	-1.0	-43.26	235.99	4.74	-38.52
CC1=C(F)C=CC(Br)=C1C(=O)NC1=N[N-]N=N1	REAL300019727245	1	23	-1.0	-43.17	236.09	4.75	-38.42
O=C(NC1=NN=N[N-]1)C1=COC2=C(Br)C=CC=C12	REAL300019727246	0	23	-1.0	-45.66	237.40	4.76	-40.90
O=C(NC1=N[N-]N=N1)C1=COC2=C(Br)C=CC=C12	REAL300019727246	1	23	-1.0	-45.57	237.50	4.75	-40.82
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)NC1=N[N-]N=N1	REAL300019727247	0	39	-1.0	-60.50	312.18	7.06	-53.44
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)NC1=NN=N[N-]1	REAL300019727247	1	39	-1.0	-60.57	312.09	7.08	-53.49
CC(C)(C)N1CCCC(C)(C(=O)NC2=N[N-]N=N2)S1(=O)=O	REAL300019727248	0	40	-1.0	-48.17	305.40	2.97	-45.20
CC(C)(C)N1CCCC(C)(C(=O)NC2=NN=N[N-]2)S1(=O)=O	REAL300019727248	1	40	-1.0	-48.27	305.31	2.98	-45.29
O=C(NC1=N[N-]N=N1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300019727249	0	30	-1.0	-47.56	287.69	7.20	-40.36
O=C(NC1=NN=N[N-]1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300019727249	1	30	-1.0	-47.62	287.60	7.21	-40.41
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300019727250	0	30	-1.0	-47.32	275.95	6.62	-40.70
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300019727250	1	30	-1.0	-47.20	276.04	6.61	-40.59
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300019727251	0	34	-1.0	-50.12	287.74	5.24	-44.88
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300019727251	1	34	-1.0	-50.21	287.65	5.27	-44.94
O=C(NC1=N[N-]N=N1)[C@@H]1CCO[C@H]1C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300019727252	0	49	-1.0	-52.01	401.46	6.49	-45.52
O=C(NC1=NN=N[N-]1)[C@@H]1CCO[C@H]1C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300019727252	1	49	-1.0	-52.10	401.37	6.51	-45.59
O=C(NC1=N[N-]N=N1)C(=O)C1=CSC=C1Br	REAL300019727253	0	19	-1.0	-38.78	217.01	3.21	-35.57
O=C(NC1=NN=N[N-]1)C(=O)C1=CSC=C1Br	REAL300019727253	1	19	-1.0	-38.82	216.92	3.22	-35.60
O=C(NC1=NN=N[N-]1)C1=CSC(Br)=C1Cl	REAL300019727254	0	17	-1.0	-44.70	213.14	3.94	-40.76
O=C(NC1=N[N-]N=N1)C1=CSC(Br)=C1Cl	REAL300019727254	1	17	-1.0	-44.64	213.24	3.93	-40.71
O=C(NC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2	REAL300019727255	0	34	-1.0	-45.60	294.72	7.90	-37.70
O=C(NC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2	REAL300019727255	1	34	-1.0	-45.69	294.63	7.91	-37.78
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CCCC2CC21	REAL300019727256	0	44	-1.0	-51.80	336.33	4.38	-47.42
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CCCC2CC21	REAL300019727256	1	44	-1.0	-51.80	336.20	4.41	-47.39
O=C(NC1=N[N-]N=N1)C(CC1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300019727257	0	45	-1.0	-45.66	360.95	10.00	-35.66
O=C(NC1=NN=N[N-]1)C(CC1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300019727257	1	45	-1.0	-45.70	360.87	10.02	-35.68
COC1=CC(F)=C(C(=O)NC2=NN=N[N-]2)C=C1Br	REAL300019727258	0	24	-1.0	-45.03	241.74	3.85	-41.18
COC1=CC(F)=C(C(=O)NC2=N[N-]N=N2)C=C1Br	REAL300019727258	1	24	-1.0	-44.96	241.84	3.85	-41.11
O=C(NC1=NN=N[N-]1)C1=CC=CC(I)=C1F	REAL300019727259	0	20	-1.0	-48.24	218.86	4.94	-43.30
O=C(NC1=N[N-]N=N1)C1=CC=CC(I)=C1F	REAL300019727259	1	20	-1.0	-48.18	218.96	4.93	-43.25
O=C(NC1=N[N-]N=N1)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300019727260	0	36	-1.0	-42.35	324.86	9.07	-33.28
O=C(NC1=NN=N[N-]1)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300019727260	1	36	-1.0	-42.40	324.77	9.08	-33.32
O=C(NC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1OCC1=CC=CC=C1	REAL300019727261	0	37	-1.0	-49.09	335.18	9.28	-39.81
O=C(NC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1OCC1=CC=CC=C1	REAL300019727261	1	37	-1.0	-49.09	335.28	9.28	-39.81
CC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019727262	0	33	-1.0	-42.69	292.96	5.50	-37.19
CC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019727262	1	33	-1.0	-42.73	292.87	5.51	-37.22
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NC2=N[N-]N=N2)C=C1	REAL300019727263	0	43	-1.0	-47.71	360.05	4.92	-42.79
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NC2=NN=N[N-]2)C=C1	REAL300019727263	1	43	-1.0	-47.80	359.95	4.94	-42.86
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)NC1=N[N-]N=N1	REAL300019727264	0	47	-1.0	-44.40	367.24	7.32	-37.08
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)NC1=NN=N[N-]1	REAL300019727264	1	47	-1.0	-44.48	367.14	7.33	-37.15
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL300019727265	0	43	-1.0	-44.91	338.93	3.85	-41.06
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL300019727265	1	43	-1.0	-45.01	338.84	3.87	-41.14
O=C(NC1=N[N-]N=N1)C1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300019727266	0	30	-1.0	-48.73	271.02	3.51	-45.22
O=C(NC1=NN=N[N-]1)C1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300019727266	1	30	-1.0	-48.77	270.93	3.52	-45.25
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=N[N-]N=N1	REAL300019727267	0	34	-1.0	-48.91	308.56	5.38	-43.53
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=NN=N[N-]1	REAL300019727267	1	34	-1.0	-48.97	308.47	5.40	-43.57
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(I)C(F)=C1	REAL300019727268	0	20	-1.0	-38.05	226.21	4.98	-33.07
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(I)C(F)=C1	REAL300019727268	1	20	-1.0	-37.96	226.30	4.96	-33.00
O=C(NCC1(C(=O)NC2=N[N-]N=N2)COC1)OCC1=CC=CC=C1	REAL300019727269	0	39	-1.0	-46.72	337.09	3.16	-43.56
O=C(NCC1(C(=O)NC2=NN=N[N-]2)COC1)OCC1=CC=CC=C1	REAL300019727269	1	39	-1.0	-46.81	337.00	3.17	-43.64
O=C(NC1=N[N-]N=N1)C1=NNC(C2=CC=C3OCCOC3=C2)=C1	REAL300019727270	0	33	-1.0	-46.81	293.14	2.93	-43.88
O=C(NC1=NN=N[N-]1)C1=NNC(C2=CC=C3OCCOC3=C2)=C1	REAL300019727270	1	33	-1.0	-46.90	293.04	2.95	-43.95
O=C(NC1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300019727271	0	34	-1.0	-45.71	290.16	7.79	-37.92
O=C(NC1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300019727271	1	34	-1.0	-45.74	290.06	7.80	-37.94
CC1=CC(Cl)=C(C(=O)NC2=NN=N[N-]2)C=C1Br	REAL300019727272	0	23	-1.0	-42.92	239.37	5.50	-37.42
CC1=CC(Cl)=C(C(=O)NC2=N[N-]N=N2)C=C1Br	REAL300019727272	1	23	-1.0	-42.86	239.47	5.49	-37.37
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=C(Br)C=C1[N+](=O)[O-]	REAL300019727273	0	22	-1.0	-49.14	253.01	5.59	-43.55
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=C(Br)C=C1[N+](=O)[O-]	REAL300019727273	1	22	-1.0	-49.08	253.10	5.58	-43.50
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(Cl)C=C21)NC1=N[N-]N=N1	REAL300019727274	0	40	-1.0	-46.21	358.49	9.19	-37.02
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(Cl)C=C21)NC1=NN=N[N-]1	REAL300019727274	1	40	-1.0	-46.24	358.40	9.21	-37.03
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NC2=N[N-]N=N2)=C1	REAL300019727275	0	45	-1.0	-45.63	357.66	8.02	-37.61
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NC2=NN=N[N-]2)=C1	REAL300019727275	1	45	-1.0	-45.73	357.56	8.02	-37.71
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1=N[N-]N=N1	REAL300019727276	0	32	-1.0	-55.94	293.54	6.86	-49.08
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1=NN=N[N-]1	REAL300019727276	1	32	-1.0	-56.02	293.45	6.88	-49.14
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727277	0	40	-1.0	-42.30	325.66	1.30	-41.00
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727277	1	40	-1.0	-42.36	325.49	1.31	-41.05
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NC2=N[N-]N=N2)C=N1	REAL300019727278	0	43	-1.0	-52.15	360.36	3.31	-48.84
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NC2=NN=N[N-]2)C=N1	REAL300019727278	1	43	-1.0	-52.20	360.27	3.33	-48.87
CC(C)(C)OC(=O)N1CC(CC(=O)NC2=N[N-]N=N2)OC(C)(C)C1	REAL300019727279	0	47	-1.0	-49.95	366.19	5.52	-44.43
CC(C)(C)OC(=O)N1CC(CC(=O)NC2=NN=N[N-]2)OC(C)(C)C1	REAL300019727279	1	47	-1.0	-50.03	366.09	5.53	-44.50
CC(C(=O)NC1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019727280	0	43	-1.0	-53.58	339.12	5.10	-48.48
CC(C(=O)NC1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019727280	1	43	-1.0	-53.68	339.03	5.12	-48.56
CC1=CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC(Br)=C1	REAL300019727281	0	30	-1.0	-48.93	290.45	6.02	-42.91
CC1=CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC(Br)=C1	REAL300019727281	1	30	-1.0	-49.02	290.35	6.02	-43.00
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=N[N-]N=N1	REAL300019727282	0	42	-1.0	-46.40	334.74	7.93	-38.47
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=NN=N[N-]1	REAL300019727282	1	42	-1.0	-46.46	334.65	7.95	-38.51
COCC1(C(=O)NC2=N[N-]N=N2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300019727283	0	50	-1.0	-57.55	366.23	6.25	-51.30
COCC1(C(=O)NC2=NN=N[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300019727283	1	50	-1.0	-57.68	366.11	6.25	-51.43
CC(C)CC(NC(=O)OC(C)(C)C)(C(=O)NC1=N[N-]N=N1)C(F)(F)F	REAL300019727284	0	45	-1.0	-50.98	353.89	5.17	-45.81
CC(C)CC(NC(=O)OC(C)(C)C)(C(=O)NC1=NN=N[N-]1)C(F)(F)F	REAL300019727284	1	45	-1.0	-51.08	353.78	5.17	-45.91
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NC3=N[N-]N=N3)CCC2)CC1	REAL300019727285	0	50	-1.0	-51.33	375.19	6.75	-44.58
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NC3=NN=N[N-]3)CCC2)CC1	REAL300019727285	1	50	-1.0	-51.39	375.10	6.77	-44.62
O=C(NC1=N[N-]N=N1)C1COC2=CC=C(Br)C=C2C1	REAL300019727286	0	28	-1.0	-40.88	263.44	4.92	-35.96
O=C(NC1=NN=N[N-]1)C1COC2=CC=C(Br)C=C2C1	REAL300019727286	1	28	-1.0	-40.92	263.35	4.94	-35.98
O=C(CC1CCC2=CC(Br)=CC=C21)NC1=N[N-]N=N1	REAL300019727287	0	30	-1.0	-46.32	270.92	6.87	-39.45
O=C(CC1CCC2=CC(Br)=CC=C21)NC1=NN=N[N-]1	REAL300019727287	1	30	-1.0	-46.42	270.83	6.88	-39.54
CC(C)(C)OC(=O)NCC1=CC=C(CC(C)(C)C(=O)NC2=N[N-]N=N2)C=C1	REAL300019727288	0	52	-1.0	-45.94	411.05	6.57	-39.37
CC(C)(C)OC(=O)NCC1=CC=C(CC(C)(C)C(=O)NC2=NN=N[N-]2)C=C1	REAL300019727288	1	52	-1.0	-46.00	410.96	6.57	-39.43
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)NC1=N[N-]N=N1	REAL300019727289	0	43	-1.0	-46.21	355.49	9.26	-36.95
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)NC1=NN=N[N-]1	REAL300019727289	1	43	-1.0	-46.31	355.39	9.28	-37.03
CC(C)C(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727290	0	52	-1.0	-47.96	399.25	8.44	-39.52
CC(C)C(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727290	1	52	-1.0	-48.03	399.16	8.45	-39.58
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NC1=N[N-]N=N1	REAL300019727291	0	43	-1.0	-53.26	341.96	5.21	-48.05
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NC1=NN=N[N-]1	REAL300019727291	1	43	-1.0	-53.32	341.86	5.23	-48.09
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NC1=N[N-]N=N1	REAL300019727292	0	43	-1.0	-53.24	342.00	5.21	-48.03
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NC1=NN=N[N-]1	REAL300019727292	1	43	-1.0	-53.38	341.90	5.23	-48.15
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CC2(C1)CCOCC2	REAL300019727293	0	48	-1.0	-52.54	367.71	2.81	-49.73
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CC2(C1)CCOCC2	REAL300019727293	1	48	-1.0	-52.54	367.62	2.82	-49.72
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=NN=N[N-]3)NC2=C1	REAL300019727294	0	33	-1.0	-43.76	296.54	5.02	-38.74
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=N[N-]N=N3)NC2=C1	REAL300019727294	1	33	-1.0	-43.70	296.64	5.01	-38.69
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CCCO1	REAL300019727295	0	41	-1.0	-45.21	328.57	2.06	-43.15
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CCCO1	REAL300019727295	1	41	-1.0	-45.25	328.48	2.07	-43.18
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1=CC=C(C(C)(C)C)C=C1	REAL300019727296	0	52	-1.0	-48.45	410.37	6.95	-41.50
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL300019727296	1	52	-1.0	-48.52	410.28	6.96	-41.56
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NC3=N[N-]N=N3)CCC2)CC1	REAL300019727297	0	48	-1.0	-51.45	371.87	7.02	-44.43
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NC3=NN=N[N-]3)CCC2)CC1	REAL300019727297	1	48	-1.0	-51.51	371.77	7.03	-44.48
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019727298	0	50	-1.0	-49.97	408.34	8.04	-41.93
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019727298	1	50	-1.0	-50.01	408.25	8.05	-41.96
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300019727299	0	33	-1.0	-52.31	292.61	6.39	-45.92
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300019727299	1	33	-1.0	-52.22	292.71	6.37	-45.85
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NC1=N[N-]N=N1)=NO2	REAL300019727300	0	40	-1.0	-50.14	331.45	4.47	-45.67
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NC1=NN=N[N-]1)=NO2	REAL300019727300	1	40	-1.0	-50.25	331.36	4.47	-45.78
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727301	0	45	-1.0	-46.30	347.66	3.97	-42.33
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727301	1	45	-1.0	-46.37	347.56	3.99	-42.38
CC(OC1=CC=C(Cl)C=C1CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL300019727302	0	40	-1.0	-46.81	353.85	9.93	-36.88
CC(OC1=CC=C(Cl)C=C1CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL300019727302	1	40	-1.0	-46.89	353.76	9.95	-36.94
O=C(NC1=N[N-]N=N1)C1CC2=CC(Br)=CN=C2C1	REAL300019727303	0	26	-1.0	-42.50	250.61	4.33	-38.17
O=C(NC1=NN=N[N-]1)C1CC2=CC(Br)=CN=C2C1	REAL300019727303	1	26	-1.0	-42.57	250.52	4.34	-38.23
O=C(NC1=NN=N[N-]1)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1	REAL300019727304	0	33	-1.0	-48.33	313.27	5.17	-43.16
O=C(NC1=N[N-]N=N1)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1	REAL300019727304	1	33	-1.0	-48.26	313.37	5.15	-43.11
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NC2=N[N-]N=N2)C1(C)C	REAL300019727305	0	46	-1.0	-43.08	353.38	5.64	-37.44
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NC2=NN=N[N-]2)C1(C)C	REAL300019727305	1	46	-1.0	-43.11	353.29	5.64	-37.47
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)NC1=N[N-]N=N1	REAL300019727306	0	46	-1.0	-43.27	341.79	6.18	-37.09
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)NC1=NN=N[N-]1	REAL300019727306	1	46	-1.0	-43.30	341.70	6.19	-37.11
CC(C)(C)OC(=O)N1CCC2(CCC2)CC1C(=O)NC1=N[N-]N=N1	REAL300019727307	0	47	-1.0	-54.92	355.57	6.87	-48.05
CC(C)(C)OC(=O)N1CCC2(CCC2)CC1C(=O)NC1=NN=N[N-]1	REAL300019727307	1	47	-1.0	-55.04	355.48	6.88	-48.16
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1CCCC1	REAL300019727308	0	43	-1.0	-40.43	329.22	4.25	-36.18
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1CCCC1	REAL300019727308	1	43	-1.0	-40.50	329.13	4.27	-36.23
O=C(NC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300019727309	0	36	-1.0	-42.89	314.27	8.63	-34.26
O=C(NC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300019727309	1	36	-1.0	-42.82	314.37	8.61	-34.21
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=N[N-]N=N1	REAL300019727310	0	36	-1.0	-44.54	311.37	7.46	-37.08
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=NN=N[N-]1	REAL300019727310	1	36	-1.0	-44.64	311.28	7.47	-37.17
O=C(NC1=N[N-]N=N1)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300019727311	0	36	-1.0	-42.69	326.19	9.09	-33.60
O=C(NC1=NN=N[N-]1)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300019727311	1	36	-1.0	-42.76	326.11	9.10	-33.66
O=C(CC1=C(Br)SC(Br)=C1)NC1=N[N-]N=N1	REAL300019727312	0	20	-1.0	-42.28	243.75	4.82	-37.46
O=C(CC1=C(Br)SC(Br)=C1)NC1=NN=N[N-]1	REAL300019727312	1	20	-1.0	-42.33	243.66	4.83	-37.50
O=C(NC1=NN=N[N-]1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300019727313	0	36	-1.0	-42.74	314.45	8.63	-34.11
O=C(NC1=N[N-]N=N1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300019727313	1	36	-1.0	-42.71	314.54	8.62	-34.09
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300019727314	0	26	-1.0	-40.03	268.97	5.54	-34.49
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300019727314	1	26	-1.0	-39.98	269.07	5.52	-34.46
O=C(NC1=NN=N[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300019727315	0	26	-1.0	-41.21	268.98	5.54	-35.67
O=C(NC1=N[N-]N=N1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300019727315	1	26	-1.0	-41.16	269.08	5.52	-35.64
CC1=CC=C(C(=O)C2=CC=C(CC(=O)NC3=N[N-]N=N3)N2C)C=C1	REAL300019727316	0	39	-1.0	-50.48	332.65	7.63	-42.85
CC1=CC=C(C(=O)C2=CC=C(CC(=O)NC3=NN=N[N-]3)N2C)C=C1	REAL300019727316	1	39	-1.0	-50.58	332.56	7.65	-42.93
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019727317	0	39	-1.0	-48.79	332.71	2.52	-46.27
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019727317	1	39	-1.0	-48.85	332.61	2.52	-46.33
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NC2=N[N-]N=N2)C1	REAL300019727318	0	43	-1.0	-44.93	338.95	3.84	-41.09
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NC2=NN=N[N-]2)C1	REAL300019727318	1	43	-1.0	-45.01	338.86	3.87	-41.14
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727319	0	46	-1.0	-43.97	365.40	2.75	-41.22
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727319	1	46	-1.0	-44.04	365.31	2.76	-41.28
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)NC1=N[N-]N=N1	REAL300019727320	0	47	-1.0	-48.78	368.65	3.45	-45.33
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)NC1=NN=N[N-]1	REAL300019727320	1	47	-1.0	-48.84	368.56	3.46	-45.38
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NC2=N[N-]N=N2)C1	REAL300019727321	0	43	-1.0	-56.88	334.87	5.40	-51.48
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NC2=NN=N[N-]2)C1	REAL300019727321	1	43	-1.0	-56.94	334.78	5.41	-51.53
CC(C)(C)OC(=O)N1CCC2(CC(CC(=O)NC3=N[N-]N=N3)CO2)CC1	REAL300019727322	0	51	-1.0	-48.91	389.75	5.66	-43.25
CC(C)(C)OC(=O)N1CCC2(CC(CC(=O)NC3=NN=N[N-]3)CO2)CC1	REAL300019727322	1	51	-1.0	-48.98	389.65	5.66	-43.32
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NC3=NN=N[N-]3)S2)C1	REAL300019727323	0	44	-1.0	-47.87	361.76	6.96	-40.91
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NC3=N[N-]N=N3)S2)C1	REAL300019727323	1	44	-1.0	-47.80	361.87	6.93	-40.87
CN1N=C(C(=O)NC2=N[N-]N=N2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300019727324	0	44	-1.0	-56.91	356.36	4.61	-52.30
CN1N=C(C(=O)NC2=NN=N[N-]2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300019727324	1	44	-1.0	-56.95	356.25	4.61	-52.34
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727325	0	45	-1.0	-40.40	334.42	5.16	-35.24
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727325	1	45	-1.0	-40.49	334.31	5.15	-35.34
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727326	0	46	-1.0	-48.51	373.01	3.41	-45.10
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727326	1	46	-1.0	-48.53	372.92	3.44	-45.09
CC(C)(C)OC(=O)N1CC(C(=O)NC2=N[N-]N=N2)CC(F)(F)C1	REAL300019727327	0	40	-1.0	-43.16	328.08	4.80	-38.36
CC(C)(C)OC(=O)N1CC(C(=O)NC2=NN=N[N-]2)CC(F)(F)C1	REAL300019727327	1	40	-1.0	-43.28	327.99	4.82	-38.46
CC(C)(C)OC(=O)N1CCC[C@H]1CN1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL300019727328	0	46	-1.0	-47.47	378.40	4.22	-43.25
CC(C)(C)OC(=O)N1CCC[C@H]1CN1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL300019727328	1	46	-1.0	-47.36	378.49	4.21	-43.15
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2C1	REAL300019727329	0	44	-1.0	-55.97	347.52	6.93	-49.04
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2C1	REAL300019727329	1	44	-1.0	-55.88	347.61	6.92	-48.96
CC(C)(C)OC(=O)NC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300019727330	0	43	-1.0	-50.15	367.93	6.25	-43.90
CC(C)(C)OC(=O)NC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300019727330	1	43	-1.0	-50.19	367.84	6.26	-43.93
CC(C)(C)OC(=O)NCC1=NC(C(=O)NC2=N[N-]N=N2)=CO1	REAL300019727331	0	36	-1.0	-44.43	315.01	-1.07	-45.50
CC(C)(C)OC(=O)NCC1=NC(C(=O)NC2=NN=N[N-]2)=CO1	REAL300019727331	1	36	-1.0	-44.51	314.90	-1.06	-45.57
CN(C)C1=CC=C(Br)C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019727332	0	28	-1.0	-45.59	255.13	4.84	-40.75
CN(C)C1=CC=C(Br)C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019727332	1	28	-1.0	-45.54	255.23	4.83	-40.71
CC(C)(C)OC(=O)NC(C)(C(=O)NC1=N[N-]N=N1)C(F)(F)F	REAL300019727333	0	36	-1.0	-50.26	304.42	2.49	-47.77
CC(C)(C)OC(=O)NC(C)(C(=O)NC1=NN=N[N-]1)C(F)(F)F	REAL300019727333	1	36	-1.0	-50.37	304.33	2.50	-47.87
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CC2(CCC2)C1	REAL300019727334	0	47	-1.0	-47.46	373.12	4.88	-42.58
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CC2(CCC2)C1	REAL300019727334	1	47	-1.0	-47.56	373.03	4.90	-42.66
O=C(CC1=CC2=C(C=C1Br)OCO2)NC1=N[N-]N=N1	REAL300019727335	0	26	-1.0	-45.02	255.82	3.62	-41.40
O=C(CC1=CC2=C(C=C1Br)OCO2)NC1=NN=N[N-]1	REAL300019727335	1	26	-1.0	-45.10	255.73	3.64	-41.46
O=C(NC1=NN=N[N-]1)C1=C(Br)SC2=C1SN=N2	REAL300019727336	0	18	-1.0	-39.62	228.04	2.23	-37.39
O=C(NC1=N[N-]N=N1)C1=C(Br)SC2=C1SN=N2	REAL300019727336	1	18	-1.0	-39.55	228.14	2.22	-37.33
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL300019727337	0	50	-1.0	-49.36	409.48	7.67	-41.69
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL300019727337	1	50	-1.0	-49.26	409.58	7.66	-41.60
O=C(NC1=N[N-]N=N1)C1=NC2=CC(Br)=CNC2=N1	REAL300019727338	0	22	-1.0	-61.65	233.45	2.44	-59.21
O=C(NC1=NN=N[N-]1)C1=NC2=CC(Br)=CNC2=N1	REAL300019727338	1	22	-1.0	-61.73	233.35	2.44	-59.29
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NC1=NN=N[N-]1	REAL300019727339	0	44	-1.0	-52.26	362.62	4.78	-47.48
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NC1=N[N-]N=N1	REAL300019727339	1	44	-1.0	-52.21	362.72	4.75	-47.46
CC(C)(C)OC(=O)NC1CCCN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL300019727340	0	44	-1.0	-57.13	355.98	2.72	-54.41
CC(C)(C)OC(=O)NC1CCCN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL300019727340	1	44	-1.0	-57.22	355.88	2.72	-54.50
CC(C)(C)OC(=O)N1CC(C(=O)NC2=N[N-]N=N2)C2(CCCC2)C1	REAL300019727341	0	47	-1.0	-44.99	358.88	5.85	-39.14
CC(C)(C)OC(=O)N1CC(C(=O)NC2=NN=N[N-]2)C2(CCCC2)C1	REAL300019727341	1	47	-1.0	-45.05	358.78	5.86	-39.19
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727342	0	43	-1.0	-48.55	352.74	2.66	-45.89
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727342	1	43	-1.0	-48.66	352.64	2.69	-45.97
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL300019727343	0	44	-1.0	-46.40	345.40	7.12	-39.28
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL300019727343	1	44	-1.0	-46.49	345.31	7.13	-39.36
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1F	REAL300019727344	0	23	-1.0	-45.85	244.84	5.33	-40.52
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C(C(F)(F)F)=C1F	REAL300019727344	1	23	-1.0	-45.80	244.93	5.32	-40.48
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC2C(=O)NC1=N[N-]N=N1	REAL300019727345	0	45	-1.0	-58.33	358.39	2.07	-56.26
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC2C(=O)NC1=NN=N[N-]1	REAL300019727345	1	45	-1.0	-58.42	358.29	2.08	-56.34
C#CCC1(C(=O)NC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019727346	0	42	-1.0	-49.24	339.29	5.79	-43.45
C#CCC1(C(=O)NC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019727346	1	42	-1.0	-49.32	339.19	5.81	-43.51
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)NC2=NN=N[N-]2)C1	REAL300019727347	0	42	-1.0	-48.66	336.18	5.70	-42.96
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)NC2=N[N-]N=N2)C1	REAL300019727347	1	42	-1.0	-48.61	336.28	5.70	-42.91
CC(C)(C)OC(=O)NCC1=CC=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL300019727348	0	46	-1.0	-53.13	378.03	6.35	-46.78
CC(C)(C)OC(=O)NCC1=CC=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL300019727348	1	46	-1.0	-53.02	378.13	6.34	-46.68
CC(C)(C)OC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)NC1=N[N-]N=N1	REAL300019727349	0	42	-1.0	-50.64	367.48	4.29	-46.35
CC(C)(C)OC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)NC1=NN=N[N-]1	REAL300019727349	1	42	-1.0	-50.66	367.39	4.31	-46.35
CCOC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1N	REAL300019727350	0	29	-1.0	-40.81	269.50	2.96	-37.85
CCOC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1N	REAL300019727350	1	29	-1.0	-40.72	269.61	2.95	-37.77
CC(C)(C)OC(=O)NC1(CC(=O)NC2=N[N-]N=N2)CS(=O)(=O)C1	REAL300019727351	0	40	-1.0	-50.06	336.48	-0.18	-50.24
CC(C)(C)OC(=O)NC1(CC(=O)NC2=NN=N[N-]2)CS(=O)(=O)C1	REAL300019727351	1	40	-1.0	-50.15	336.38	-0.17	-50.32
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NC2=N[N-]N=N2)C1	REAL300019727352	0	44	-1.0	-42.47	350.50	5.47	-37.00
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NC2=NN=N[N-]2)C1	REAL300019727352	1	44	-1.0	-42.55	350.40	5.48	-37.07
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)NC2=N[N-]N=N2)=C1	REAL300019727353	0	46	-1.0	-48.77	377.13	5.46	-43.31
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)NC2=NN=N[N-]2)=C1	REAL300019727353	1	46	-1.0	-48.88	377.03	5.48	-43.40
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300019727354	0	27	-1.0	-47.51	258.32	6.31	-41.20
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300019727354	1	27	-1.0	-47.55	258.23	6.33	-41.22
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727355	0	40	-1.0	-42.84	335.63	2.08	-40.76
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727355	1	40	-1.0	-42.90	335.54	2.11	-40.79
CC(C)(C)OC(=O)N1CC(CN2C=C(C(=O)NC3=NN=N[N-]3)N=N2)C1	REAL300019727356	0	43	-1.0	-52.34	365.15	3.36	-48.98
CC(C)(C)OC(=O)N1CC(CN2C=C(C(=O)NC3=N[N-]N=N3)N=N2)C1	REAL300019727356	1	43	-1.0	-52.30	365.25	3.34	-48.96
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727357	0	43	-1.0	-51.87	344.87	5.08	-46.79
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727357	1	43	-1.0	-51.98	344.77	5.10	-46.88
CC(C)(C)OC(=O)N1C[C@@H](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=N[N-]N=N1	REAL300019727358	0	50	-1.0	-54.52	401.85	8.40	-46.12
CC(C)(C)OC(=O)N1C[C@@H](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=NN=N[N-]1	REAL300019727358	1	50	-1.0	-54.58	401.76	8.42	-46.16
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F	REAL300019727359	0	25	-1.0	-45.55	254.60	4.27	-41.28
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F	REAL300019727359	1	25	-1.0	-45.45	254.69	4.25	-41.20
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL300019727360	0	28	-1.0	-45.82	265.64	2.86	-42.96
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL300019727360	1	28	-1.0	-45.71	265.74	2.83	-42.88
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NC2=N[N-]N=N2)CO1	REAL300019727361	0	41	-1.0	-50.35	333.82	1.37	-48.98
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NC2=NN=N[N-]2)CO1	REAL300019727361	1	41	-1.0	-50.43	333.72	1.39	-49.04
NC1=CC(CC(=O)NC2=N[N-]N=N2)=C(Br)C=C1[N+](=O)[O-]	REAL300019727362	0	27	-1.0	-46.27	270.37	3.71	-42.56
NC1=CC(CC(=O)NC2=NN=N[N-]2)=C(Br)C=C1[N+](=O)[O-]	REAL300019727362	1	27	-1.0	-46.36	270.28	3.72	-42.64
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NC1=NN=N[N-]1	REAL300019727363	0	40	-1.0	-43.36	324.64	1.29	-42.07
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NC1=N[N-]N=N1	REAL300019727363	1	40	-1.0	-43.31	324.74	1.27	-42.04
CC(C)(C)OC(=O)NCC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300019727364	0	43	-1.0	-45.32	369.40	5.22	-40.10
CC(C)(C)OC(=O)NCC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300019727364	1	43	-1.0	-45.33	369.31	5.23	-40.10
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NC2=N[N-]N=N2)CC1	REAL300019727365	0	43	-1.0	-44.04	342.61	5.35	-38.69
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NC2=NN=N[N-]2)CC1	REAL300019727365	1	43	-1.0	-44.08	342.51	5.36	-38.72
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1CC2(CCC2)C1	REAL300019727366	0	47	-1.0	-48.65	368.33	5.67	-42.98
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300019727366	1	47	-1.0	-48.69	368.23	5.68	-43.01
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)C1CC(C)(C)C1	REAL300019727367	0	46	-1.0	-40.42	355.26	4.69	-35.73
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)C1CC(C)(C)C1	REAL300019727367	1	46	-1.0	-40.51	355.17	4.70	-35.81
CC(C)(C)OC(=O)NCC1=CC=CC(OCC(=O)NC2=N[N-]N=N2)=C1	REAL300019727368	0	44	-1.0	-50.98	368.97	4.77	-46.21
CC(C)(C)OC(=O)NCC1=CC=CC(OCC(=O)NC2=NN=N[N-]2)=C1	REAL300019727368	1	44	-1.0	-51.02	368.87	4.78	-46.24
CC(C)(C)OC(=O)NC1CCCC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL300019727369	0	47	-1.0	-47.78	368.66	5.96	-41.82
CC(C)(C)OC(=O)NC1CCCC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL300019727369	1	47	-1.0	-47.69	368.75	5.95	-41.74
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NC1=N[N-]N=N1	REAL300019727370	0	47	-1.0	-49.71	363.26	4.66	-45.05
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NC1=NN=N[N-]1	REAL300019727370	1	47	-1.0	-49.78	363.17	4.68	-45.10
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)NC2=N[N-]N=N2)C1	REAL300019727371	0	44	-1.0	-52.51	345.39	1.83	-50.68
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)NC2=NN=N[N-]2)C1	REAL300019727371	1	44	-1.0	-52.57	345.29	1.84	-50.73
CC(C)(C)OC(=O)NC1CCCC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C1	REAL300019727372	0	50	-1.0	-57.05	390.47	6.59	-50.46
CC(C)(C)OC(=O)NC1CCCC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C1	REAL300019727372	1	50	-1.0	-57.01	390.57	6.58	-50.43
CC(C)(C)OC(=O)NCC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL300019727373	0	46	-1.0	-48.19	381.32	6.49	-41.70
CC(C)(C)OC(=O)NCC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL300019727373	1	46	-1.0	-48.15	381.42	6.48	-41.67
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)C2C1C2(F)F	REAL300019727374	0	41	-1.0	-53.24	328.98	5.16	-48.08
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)C2C1C2(F)F	REAL300019727374	1	41	-1.0	-53.38	328.90	5.17	-48.21
CC(C)(C)OC(=O)N1CC2=C(NN=C2C(=O)NC2=N[N-]N=N2)C1(C)C	REAL300019727375	0	44	-1.0	-45.95	357.82	3.75	-42.20
CC(C)(C)OC(=O)N1CC2=C(NN=C2C(=O)NC2=NN=N[N-]2)C1(C)C	REAL300019727375	1	44	-1.0	-45.98	357.72	3.76	-42.22
CC(C)(C)OC(=O)NC1CCC(C(=O)NC2=N[N-]N=N2)CCC1(F)F	REAL300019727376	0	46	-1.0	-46.04	354.29	4.44	-41.60
CC(C)(C)OC(=O)NC1CCC(C(=O)NC2=NN=N[N-]2)CCC1(F)F	REAL300019727376	1	46	-1.0	-46.09	354.20	4.46	-41.63
CC(C)(C)OC(=O)N1CCN2C=CC=C2C12CC(C(=O)NC1=N[N-]N=N1)C2	REAL300019727377	0	49	-1.0	-48.34	355.09	6.19	-42.15
CC(C)(C)OC(=O)N1CCN2C=CC=C2C12CC(C(=O)NC1=NN=N[N-]1)C2	REAL300019727377	1	49	-1.0	-48.39	354.96	6.19	-42.20
CC(C)(C)OC(=O)N1CCN2C(C(=O)NC3=NN=N[N-]3)=CC=C2C12CCC2	REAL300019727378	0	49	-1.0	-45.35	373.58	7.02	-38.33
CC(C)(C)OC(=O)N1CCN2C(C(=O)NC3=N[N-]N=N3)=CC=C2C12CCC2	REAL300019727378	1	49	-1.0	-45.29	373.68	7.02	-38.27
CC(C)(C)OC(=O)NC1CCCC(C(=O)NC2=N[N-]N=N2)CC1	REAL300019727379	0	46	-1.0	-45.50	348.60	4.34	-41.16
CC(C)(C)OC(=O)NC1CCCC(C(=O)NC2=NN=N[N-]2)CC1	REAL300019727379	1	46	-1.0	-45.57	348.50	4.35	-41.22
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL300019727380	0	36	-1.0	-47.44	319.29	2.84	-44.60
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL300019727380	1	36	-1.0	-47.46	319.20	2.84	-44.62
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NC2=N[N-]N=N2)CC1	REAL300019727381	0	43	-1.0	-43.94	333.58	5.16	-38.78
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NC2=NN=N[N-]2)CC1	REAL300019727381	1	43	-1.0	-44.01	333.49	5.18	-38.83
CC(C)(C)OC(=O)NC12CCC(C(=O)NC3=N[N-]N=N3)(CC1)CC2	REAL300019727382	0	47	-1.0	-44.66	350.74	4.35	-40.31
CC(C)(C)OC(=O)NC12CCC(C(=O)NC3=NN=N[N-]3)(CC1)CC2	REAL300019727382	1	47	-1.0	-44.71	350.65	4.36	-40.35
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NC2=N[N-]N=N2)=N1	REAL300019727383	0	37	-1.0	-45.24	311.88	1.95	-43.29
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NC2=NN=N[N-]2)=N1	REAL300019727383	1	37	-1.0	-45.28	311.78	1.96	-43.32
COC1=NN(C)C(Br)=C1C(=O)NC1=NN=N[N-]1	REAL300019727384	0	24	-1.0	-46.23	247.51	-0.09	-46.32
COC1=NN(C)C(Br)=C1C(=O)NC1=N[N-]N=N1	REAL300019727384	1	24	-1.0	-46.16	247.60	-0.12	-46.28
CC(C)(C)OC(=O)N1C[C@H](C(=O)NC2=N[N-]N=N2)C[C@H](C(C)(C)C)C1	REAL300019727385	0	52	-1.0	-42.19	385.17	6.64	-35.55
CC(C)(C)OC(=O)N1C[C@H](C(=O)NC2=NN=N[N-]2)C[C@H](C(C)(C)C)C1	REAL300019727385	1	52	-1.0	-42.23	385.08	6.65	-35.58
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=N[N-]N=N3)(C1)C1(COC1)O2	REAL300019727386	0	47	-1.0	-46.12	376.19	0.89	-45.23
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=NN=N[N-]3)(C1)C1(COC1)O2	REAL300019727386	1	47	-1.0	-46.19	376.09	0.89	-45.30
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NC2=N[N-]N=N2)C1	REAL300019727387	0	44	-1.0	-47.05	352.89	2.10	-44.95
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NC2=NN=N[N-]2)C1	REAL300019727387	1	44	-1.0	-47.12	352.80	2.12	-45.00
CC(C)(C)OC(=O)N1CC(CC(=O)NC2=N[N-]N=N2)C2CCCCC21	REAL300019727388	0	50	-1.0	-47.16	372.87	6.47	-40.69
CC(C)(C)OC(=O)N1CC(CC(=O)NC2=NN=N[N-]2)C2CCCCC21	REAL300019727388	1	50	-1.0	-47.22	372.77	6.48	-40.74
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)CC1	REAL300019727389	0	33	-1.0	-47.70	301.17	3.36	-44.34
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)CC1	REAL300019727389	1	33	-1.0	-47.63	301.27	3.34	-44.29
O=C(NC1=NN=N[N-]1)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300019727390	0	37	-1.0	-60.47	325.38	6.76	-53.71
O=C(NC1=N[N-]N=N1)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300019727390	1	37	-1.0	-60.40	325.48	6.75	-53.65
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NC1=N[N-]N=N1	REAL300019727391	0	44	-1.0	-51.02	346.22	6.30	-44.72
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NC1=NN=N[N-]1	REAL300019727391	1	44	-1.0	-51.12	346.13	6.32	-44.80
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NC2=N[N-]N=N2)C1	REAL300019727392	0	43	-1.0	-48.96	338.72	3.73	-45.23
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NC2=NN=N[N-]2)C1	REAL300019727392	1	43	-1.0	-49.05	338.62	3.74	-45.31
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)NC1=N[N-]N=N1)C2	REAL300019727393	0	45	-1.0	-44.02	348.56	6.94	-37.08
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)NC1=NN=N[N-]1)C2	REAL300019727393	1	45	-1.0	-44.12	348.47	6.96	-37.16
O=C(NC1=NN=N[N-]1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300019727394	0	23	-1.0	-44.64	254.64	6.25	-38.39
O=C(NC1=N[N-]N=N1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300019727394	1	23	-1.0	-44.58	254.73	6.24	-38.34
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NC1=NN=N[N-]1)C3=O	REAL300019727395	0	36	-1.0	-56.97	301.07	6.90	-50.07
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NC1=N[N-]N=N1)C3=O	REAL300019727395	1	36	-1.0	-56.85	301.17	6.90	-49.95
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=N[N-]N=N1)=C2	REAL300019727396	0	34	-1.0	-53.92	290.33	5.66	-48.26
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=NN=N[N-]1)=C2	REAL300019727396	1	34	-1.0	-54.00	290.23	5.66	-48.34
CC(C)(C)OC(=O)N1CC2(CCOCC2)CCC1C(=O)NC1=N[N-]N=N1	REAL300019727397	0	51	-1.0	-55.70	373.41	5.85	-49.85
CC(C)(C)OC(=O)N1CC2(CCOCC2)CCC1C(=O)NC1=NN=N[N-]1	REAL300019727397	1	51	-1.0	-55.71	373.31	5.86	-49.85
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CC12CCOCC2	REAL300019727398	0	48	-1.0	-46.52	376.79	3.50	-43.02
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CC12CCOCC2	REAL300019727398	1	48	-1.0	-46.54	376.70	3.51	-43.03
CC(C)(C)OC(=O)NCC12CCC(C(=O)NC3=N[N-]N=N3)(CC1)CO2	REAL300019727399	0	48	-1.0	-45.09	368.54	3.21	-41.88
CC(C)(C)OC(=O)NCC12CCC(C(=O)NC3=NN=N[N-]3)(CC1)CO2	REAL300019727399	1	48	-1.0	-45.12	368.45	3.22	-41.90
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)NC1=N[N-]N=N1	REAL300019727400	0	44	-1.0	-55.01	344.61	7.52	-47.49
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)NC1=NN=N[N-]1	REAL300019727400	1	44	-1.0	-55.09	344.52	7.53	-47.56
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL300019727401	0	43	-1.0	-53.31	341.88	5.20	-48.11
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL300019727401	1	43	-1.0	-53.36	341.78	5.22	-48.14
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019727402	0	29	-1.0	-54.29	270.71	1.44	-52.85
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019727402	1	29	-1.0	-54.40	270.61	1.47	-52.93
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019727403	0	35	-1.0	-46.94	318.01	3.23	-43.71
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019727403	1	35	-1.0	-46.82	318.11	3.22	-43.60
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019727404	0	35	-1.0	-51.25	316.25	3.21	-48.04
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019727404	1	35	-1.0	-51.21	316.35	3.20	-48.01
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)NC1=N[N-]N=N1	REAL300019727405	0	40	-1.0	-51.91	322.95	5.30	-46.61
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)NC1=NN=N[N-]1	REAL300019727405	1	40	-1.0	-51.99	322.85	5.31	-46.68
O=C(NC1=NN=N[N-]1)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300019727406	0	30	-1.0	-46.09	289.90	5.48	-40.61
O=C(NC1=N[N-]N=N1)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300019727406	1	30	-1.0	-46.10	290.00	5.48	-40.62
O=C(NC1=NN=N[N-]1)C1=CC2=CN=CC(Br)=C2S1	REAL300019727407	0	22	-1.0	-41.26	242.21	4.07	-37.19
O=C(NC1=N[N-]N=N1)C1=CC2=CN=CC(Br)=C2S1	REAL300019727407	1	22	-1.0	-41.22	242.40	4.06	-37.16
O=C(NC1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300019727408	0	27	-1.0	-45.62	260.82	6.29	-39.33
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300019727408	1	27	-1.0	-45.72	260.73	6.31	-39.41
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CC2CCC1C2	REAL300019727409	0	47	-1.0	-46.07	356.90	4.69	-41.38
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CC2CCC1C2	REAL300019727409	1	47	-1.0	-46.16	356.81	4.70	-41.46
CS(=O)(=O)C1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019727410	0	26	-1.0	-49.25	269.37	1.95	-47.30
CS(=O)(=O)C1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019727410	1	26	-1.0	-49.16	269.46	1.93	-47.23
O=C(NC1=NN=N[N-]1)C1=NSC2=CC(Br)=CC=C21	REAL300019727411	0	22	-1.0	-41.52	239.40	4.41	-37.11
O=C(NC1=N[N-]N=N1)C1=NSC2=CC(Br)=CC=C21	REAL300019727411	1	22	-1.0	-41.46	239.50	4.40	-37.06
O=C(NC1=NN=N[N-]1)C1=CC(Br)=C2OC=CC2=C1	REAL300019727412	0	23	-1.0	-43.72	235.94	4.77	-38.95
O=C(NC1=N[N-]N=N1)C1=CC(Br)=C2OC=CC2=C1	REAL300019727412	1	23	-1.0	-43.65	236.04	4.76	-38.89
CC(C)(C)OC(=O)N1CC2CCCCCC2(C(=O)NC2=N[N-]N=N2)C1	REAL300019727413	0	50	-1.0	-53.11	349.25	6.42	-46.69
CC(C)(C)OC(=O)N1CC2CCCCCC2(C(=O)NC2=NN=N[N-]2)C1	REAL300019727413	1	50	-1.0	-53.19	349.14	6.44	-46.75
CC(C)(C)OC(=O)N1CCC(C2CCCC2C(=O)NC2=N[N-]N=N2)CC1	REAL300019727414	0	53	-1.0	-50.54	387.36	7.86	-42.68
CC(C)(C)OC(=O)N1CCC(C2CCCC2C(=O)NC2=NN=N[N-]2)CC1	REAL300019727414	1	53	-1.0	-50.62	387.25	7.86	-42.76
CC(C)(C)OC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)NC1=N[N-]N=N1	REAL300019727415	0	44	-1.0	-52.68	360.63	7.36	-45.32
CC(C)(C)OC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)NC1=NN=N[N-]1	REAL300019727415	1	44	-1.0	-52.80	360.54	7.36	-45.44
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NC2=NN=N[N-]2)=C1Cl	REAL300019727416	0	27	-1.0	-45.37	293.07	6.76	-38.61
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NC2=N[N-]N=N2)=C1Cl	REAL300019727416	1	27	-1.0	-45.27	293.18	6.75	-38.52
O=C(NC1=NN=N[N-]1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300019727417	0	25	-1.0	-47.33	247.11	4.82	-42.51
O=C(NC1=N[N-]N=N1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300019727417	1	25	-1.0	-47.25	247.20	4.81	-42.44
COC1=CC=C(Br)C(C(=O)NC2=NN=N[N-]2)=C1C	REAL300019727418	0	27	-1.0	-46.09	258.82	4.09	-42.00
COC1=CC=C(Br)C(C(=O)NC2=N[N-]N=N2)=C1C	REAL300019727418	1	27	-1.0	-46.04	258.92	4.09	-41.95
O=C(NC1=NN=N[N-]1)C1=C(Cl)C=C(Cl)C=C1Br	REAL300019727419	0	20	-1.0	-41.30	243.68	5.12	-36.18
O=C(NC1=N[N-]N=N1)C1=C(Cl)C=C(Cl)C=C1Br	REAL300019727419	1	20	-1.0	-41.26	243.77	5.11	-36.15
CCCCC(C(=O)NC1=NN=N[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019727420	0	45	-1.0	-47.46	352.23	9.89	-37.57
CCCCC(C(=O)NC1=N[N-]N=N1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019727420	1	45	-1.0	-47.41	352.32	9.88	-37.53
O=C(NC1=NN=N[N-]1)C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300019727421	0	38	-1.0	-47.92	361.24	4.41	-43.51
O=C(NC1=N[N-]N=N1)C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300019727421	1	38	-1.0	-47.88	361.34	4.40	-43.48
O=C(NC1=N[N-]N=N1)C([N-]S(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300019727421	1	37	-2.0	-102.61	355.25	4.17	-98.44
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(Br)C(F)=C1	REAL300019727422	0	20	-1.0	-38.09	220.08	4.52	-33.57
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(Br)C(F)=C1	REAL300019727422	1	20	-1.0	-38.05	220.18	4.50	-33.55
CC(C)(C)OC(=O)NC(CCOCC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL300019727423	0	43	-1.0	-51.01	372.31	3.12	-47.89
CC(C)(C)OC(=O)NC(CCOCC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL300019727423	1	43	-1.0	-51.02	372.21	3.15	-47.87
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)NC1=N[N-]N=N1	REAL300019727424	0	47	-1.0	-47.18	347.09	5.99	-41.19
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)NC1=NN=N[N-]1	REAL300019727424	1	47	-1.0	-47.23	347.00	6.00	-41.23
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=NN=N[N-]1	REAL300019727425	0	37	-1.0	-52.63	326.74	0.71	-51.92
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=N[N-]N=N1	REAL300019727425	1	37	-1.0	-52.52	326.84	0.70	-51.82
O=C(COC1=CC=CC=C1)NC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019727426	0	38	-1.0	-45.58	327.15	6.70	-38.88
O=C(COC1=CC=CC=C1)NC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019727426	1	38	-1.0	-45.46	327.25	6.70	-38.76
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300019727427	0	39	-1.0	-44.68	312.42	6.13	-38.55
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300019727427	1	39	-1.0	-44.60	312.52	6.12	-38.48
O=C(NC1=NN=N[N-]1)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300019727428	0	29	-1.0	-44.83	283.41	4.30	-40.53
O=C(NC1=N[N-]N=N1)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300019727428	1	29	-1.0	-44.75	283.51	4.28	-40.47
O=C(NC1=NN=N[N-]1)C1=C2N=CNC2=CC(Br)=C1	REAL300019727429	0	23	-1.0	-54.12	233.85	4.23	-49.89
O=C(NC1=N[N-]N=N1)C1=C2N=CNC2=CC(Br)=C1	REAL300019727429	1	23	-1.0	-54.04	233.95	4.23	-49.81
O=C(NC1=NN=N[N-]1)C1=C2NC=NC2=CC(Br)=C1	REAL300019727429	1	23	-1.0	-42.04	232.38	4.20	-37.84
O=C(NC1=N[N-]N=N1)C1=C2NC=NC2=CC(Br)=C1	REAL300019727429	1	23	-1.0	-41.96	232.48	4.19	-37.77
O=C(NC1=NN=N[N-]1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019727430	0	33	-1.0	-51.43	299.01	6.43	-45.00
O=C(NC1=N[N-]N=N1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019727430	1	33	-1.0	-51.35	299.11	6.42	-44.93
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2C(=O)NC1=N[N-]N=N1	REAL300019727431	0	41	-1.0	-49.98	334.49	3.36	-46.62
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2C(=O)NC1=NN=N[N-]1	REAL300019727431	1	41	-1.0	-50.06	334.39	3.37	-46.69
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300019727432	0	38	-1.0	-48.61	334.54	6.92	-41.69
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300019727432	1	38	-1.0	-48.54	334.64	6.91	-41.63
O=C(NC1=NN=N[N-]1)C1=C(Br)C=CC(F)=C1OC(F)(F)F	REAL300019727433	0	24	-1.0	-46.72	261.53	4.74	-41.98
O=C(NC1=N[N-]N=N1)C1=C(Br)C=CC(F)=C1OC(F)(F)F	REAL300019727433	1	24	-1.0	-46.64	261.62	4.72	-41.92
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300019727434	0	26	-1.0	-44.20	267.13	6.19	-38.01
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300019727434	1	26	-1.0	-44.15	267.23	6.19	-37.96
O=C(NC1=N[N-]N=N1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019727435	0	30	-1.0	-43.82	273.35	4.89	-38.93
O=C(NC1=NN=N[N-]1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019727435	1	30	-1.0	-43.88	273.25	4.90	-38.98
O=C(CCC1=C(Br)C=CS1)NC1=N[N-]N=N1	REAL300019727436	0	23	-1.0	-42.92	243.22	4.92	-38.00
O=C(CCC1=C(Br)C=CS1)NC1=NN=N[N-]1	REAL300019727436	1	23	-1.0	-42.98	243.13	4.93	-38.05
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1=N[N-]N=N1	REAL300019727437	0	26	-1.0	-50.80	255.50	4.62	-46.18
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1=NN=N[N-]1	REAL300019727437	1	26	-1.0	-50.83	255.40	4.63	-46.20
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1=N[N-]N=N1	REAL300019727437	1	26	-1.0	-50.16	255.33	4.60	-45.56
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1=NN=N[N-]1	REAL300019727437	1	26	-1.0	-50.20	255.24	4.61	-45.59
O=C(CCC1=C(Br)C=NC=C1Br)NC1=N[N-]N=N1	REAL300019727438	0	25	-1.0	-42.00	265.12	4.52	-37.48
O=C(CCC1=C(Br)C=NC=C1Br)NC1=NN=N[N-]1	REAL300019727438	1	25	-1.0	-42.06	265.03	4.53	-37.53
O=C(CCCCCC(=O)NC1=CC=CC=C1)NC1=N[N-]N=N1	REAL300019727439	0	39	-1.0	-55.23	331.82	5.88	-49.35
O=C(CCCCCC(=O)NC1=CC=CC=C1)NC1=NN=N[N-]1	REAL300019727439	1	39	-1.0	-55.32	331.72	5.89	-49.43
CS(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C(Cl)=C1	REAL300019727440	0	26	-1.0	-51.47	260.59	1.84	-49.63
CS(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C(Cl)=C1	REAL300019727440	1	26	-1.0	-51.42	260.69	1.84	-49.58
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300019727441	0	26	-1.0	-44.65	256.60	5.85	-38.80
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300019727441	1	26	-1.0	-44.56	256.69	5.85	-38.71
NC1=C(C(=O)NC2=NN=N[N-]2)C=C(F)C(Br)=C1F	REAL300019727442	0	22	-1.0	-36.71	229.70	2.75	-33.96
NC1=C(C(=O)NC2=N[N-]N=N2)C=C(F)C(Br)=C1F	REAL300019727442	1	22	-1.0	-36.65	229.79	2.75	-33.90
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CC2CCC1CC2	REAL300019727443	0	50	-1.0	-45.67	369.71	5.34	-40.33
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CC2CCC1CC2	REAL300019727443	1	50	-1.0	-45.73	369.60	5.36	-40.37
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)NC3=N[N-]N=N3)N2C(=O)OC(C)(C)C)O1	REAL300019727444	0	45	-1.0	-54.37	353.69	4.97	-49.40
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)NC3=NN=N[N-]3)N2C(=O)OC(C)(C)C)O1	REAL300019727444	1	45	-1.0	-54.43	353.59	4.97	-49.46
CC(C)(C)OC(=O)N1CCC(C2=NC(C(=O)NC3=N[N-]N=N3)=CO2)CC1	REAL300019727445	0	46	-1.0	-46.40	375.20	3.07	-43.33
CC(C)(C)OC(=O)N1CCC(C2=NC(C(=O)NC3=NN=N[N-]3)=CO2)CC1	REAL300019727445	1	46	-1.0	-46.48	375.10	3.09	-43.39
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=N[N-]N=N2)=NO1	REAL300019727446	0	36	-1.0	-43.58	314.64	1.68	-41.90
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=NN=N[N-]2)=NO1	REAL300019727446	1	36	-1.0	-43.71	314.55	1.69	-42.02
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)NC1=N[N-]N=N1	REAL300019727447	0	42	-1.0	-53.10	344.03	1.56	-51.54
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)NC1=NN=N[N-]1	REAL300019727447	1	42	-1.0	-53.18	343.93	1.57	-51.61
COC1(CC(=O)NC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019727448	0	41	-1.0	-55.24	334.53	2.71	-52.53
COC1(CC(=O)NC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019727448	1	41	-1.0	-55.35	334.44	2.71	-52.64
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL300019727449	0	46	-1.0	-47.62	377.96	3.77	-43.85
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL300019727449	1	46	-1.0	-47.52	378.06	3.75	-43.77
CC(C)(C)OC(=O)N[C@]1(C(=O)NC2=N[N-]N=N2)C[C@@H]2CC[C@@H](C2)C1	REAL300019727450	0	47	-1.0	-49.02	338.06	5.80	-43.22
CC(C)(C)OC(=O)N[C@]1(C(=O)NC2=NN=N[N-]2)C[C@@H]2CC[C@@H](C2)C1	REAL300019727450	1	47	-1.0	-49.05	337.97	5.82	-43.23
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=N[N-]N=N3)(CO1)CCC2	REAL300019727451	0	48	-1.0	-46.40	367.57	2.98	-43.42
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=NN=N[N-]3)(CO1)CCC2	REAL300019727451	1	48	-1.0	-46.53	367.47	3.01	-43.52
COC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C(OC)=C1OC	REAL300019727452	0	36	-1.0	-49.68	315.97	4.29	-45.39
COC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C(OC)=C1OC	REAL300019727452	1	36	-1.0	-49.78	315.86	4.30	-45.48
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CC2(CC(F)(F)C2)C1	REAL300019727453	0	44	-1.0	-55.48	360.15	4.35	-51.13
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CC2(CC(F)(F)C2)C1	REAL300019727453	1	44	-1.0	-55.56	360.06	4.36	-51.20
COC1=CC(OC)=C2CC(C(=O)NC3=N[N-]N=N3)N(C(=O)OC(C)(C)C)C2=C1	REAL300019727454	0	49	-1.0	-55.45	393.94	5.36	-50.09
COC1=CC(OC)=C2CC(C(=O)NC3=NN=N[N-]3)N(C(=O)OC(C)(C)C)C2=C1	REAL300019727454	1	49	-1.0	-55.53	393.84	5.38	-50.15
CC(C)(C)OC(=O)NCC1(C(=O)NC2=N[N-]N=N2)CC(C)(C)C1	REAL300019727455	0	46	-1.0	-46.45	359.95	4.04	-42.41
CC(C)(C)OC(=O)NCC1(C(=O)NC2=NN=N[N-]2)CC(C)(C)C1	REAL300019727455	1	46	-1.0	-46.45	359.86	4.05	-42.40
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)(C2CC2)C1	REAL300019727456	0	44	-1.0	-50.06	339.59	6.62	-43.44
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)(C2CC2)C1	REAL300019727456	1	44	-1.0	-50.12	339.49	6.64	-43.48
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CC2)C=C1	REAL300019727457	0	44	-1.0	-45.97	363.44	5.91	-40.06
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CC2)C=C1	REAL300019727457	1	44	-1.0	-46.03	363.35	5.92	-40.11
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NC2=N[N-]N=N2)C1	REAL300019727458	0	44	-1.0	-51.19	351.92	3.16	-48.03
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NC2=NN=N[N-]2)C1	REAL300019727458	1	44	-1.0	-51.31	351.83	3.17	-48.14
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=N[N-]N=N1	REAL300019727459	0	44	-1.0	-46.48	334.13	5.05	-41.43
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=NN=N[N-]1	REAL300019727459	1	44	-1.0	-46.57	334.04	5.06	-41.51
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NC1=N[N-]N=N1)CC2	REAL300019727460	0	50	-1.0	-50.47	383.17	5.46	-45.01
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NC1=NN=N[N-]1)CC2	REAL300019727460	1	50	-1.0	-50.57	383.07	5.47	-45.10
CC(C)(C)OC(=O)N1CCC2(CCC(CC(=O)NC3=N[N-]N=N3)CC2)CC1	REAL300019727461	0	56	-1.0	-48.77	403.68	7.89	-40.88
CC(C)(C)OC(=O)N1CCC2(CCC(CC(=O)NC3=NN=N[N-]3)CC2)CC1	REAL300019727461	1	56	-1.0	-48.87	403.59	7.90	-40.97
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=N[N-]N=N3)C2)CC1	REAL300019727462	0	47	-1.0	-46.70	361.34	6.37	-40.33
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=NN=N[N-]3)C2)CC1	REAL300019727462	1	47	-1.0	-46.80	361.25	6.39	-40.41
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NC2=N[N-]N=N2)C1	REAL300019727463	0	44	-1.0	-47.86	352.75	4.71	-43.15
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NC2=NN=N[N-]2)C1	REAL300019727463	1	44	-1.0	-47.90	352.66	4.73	-43.17
O=C(NC1=NN=N[N-]1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019727464	0	26	-1.0	-48.79	251.89	6.59	-42.20
O=C(NC1=N[N-]N=N1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019727464	1	26	-1.0	-48.71	251.99	6.57	-42.14
O=C(NC1=NN=N[N-]1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019727465	0	32	-1.0	-44.68	283.66	7.57	-37.11
O=C(NC1=N[N-]N=N1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019727465	1	32	-1.0	-44.64	283.77	7.57	-37.07
CC(C)(C)OC1=CC(Br)=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019727466	0	33	-1.0	-43.17	289.06	5.56	-37.61
CC(C)(C)OC1=CC(Br)=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019727466	1	33	-1.0	-43.09	289.16	5.53	-37.56
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL300019727467	0	37	-1.0	-57.53	325.22	2.18	-55.35
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL300019727467	1	37	-1.0	-57.56	325.12	2.17	-55.39
O=C(NC1=N[N-]N=N1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019727468	0	30	-1.0	-44.66	284.43	4.56	-40.10
O=C(NC1=NN=N[N-]1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019727468	1	30	-1.0	-44.71	284.33	4.56	-40.15
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300019727469	0	23	-1.0	-42.27	247.21	5.46	-36.81
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300019727469	1	23	-1.0	-42.18	247.30	5.45	-36.73
O=C(NC1=NN=N[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019727470	0	28	-1.0	-43.61	276.51	5.93	-37.68
O=C(NC1=N[N-]N=N1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019727470	1	28	-1.0	-43.53	276.61	5.92	-37.61
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NC1=N[N-]N=N1	REAL300019727471	0	44	-1.0	-57.12	347.56	6.51	-50.61
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NC1=NN=N[N-]1	REAL300019727471	1	44	-1.0	-57.22	347.47	6.53	-50.69
COC(=O)C1CC(CCC(=O)NC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300019727472	0	49	-1.0	-51.04	397.35	6.31	-44.73
COC(=O)C1CC(CCC(=O)NC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300019727472	1	49	-1.0	-51.17	397.26	6.32	-44.85
CC1(C(=O)NC2=N[N-]N=N2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019727473	0	30	-1.0	-41.43	278.97	5.74	-35.69
CC1(C(=O)NC2=NN=N[N-]2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019727473	1	30	-1.0	-41.48	278.88	5.75	-35.73
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727474	0	40	-1.0	-39.33	328.55	3.35	-35.98
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727474	1	40	-1.0	-39.39	328.46	3.36	-36.03
CC(C)(C)OC(=O)N1CCC(CC2=NC(C(=O)NC3=N[N-]N=N3)=CS2)C1	REAL300019727475	0	46	-1.0	-58.00	389.49	5.36	-52.64
CC(C)(C)OC(=O)N1CCC(CC2=NC(C(=O)NC3=NN=N[N-]3)=CS2)C1	REAL300019727475	1	46	-1.0	-58.09	389.39	5.37	-52.72
CC(C)C[C@H](NC(=O)C1=CC=C(Cl)C=C1Cl)C(=O)NC1=N[N-]N=N1	REAL300019727476	0	39	-1.0	-40.18	349.70	6.43	-33.75
CC(C)C[C@H](NC(=O)C1=CC=C(Cl)C=C1Cl)C(=O)NC1=NN=N[N-]1	REAL300019727476	1	39	-1.0	-40.25	349.60	6.45	-33.80
O=C(CCC1=CC=CC(Br)=C1F)NC1=N[N-]N=N1	REAL300019727477	0	26	-1.0	-45.67	259.60	5.92	-39.75
O=C(CCC1=CC=CC(Br)=C1F)NC1=NN=N[N-]1	REAL300019727477	1	26	-1.0	-45.73	259.50	5.93	-39.80
CC(C)(C)OC(=O)NCC[C@@H](CC(=O)NC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019727478	0	56	-1.0	-48.49	437.98	3.02	-45.47
CC(C)(C)OC(=O)NCC[C@@H](CC(=O)NC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019727478	1	56	-1.0	-48.58	437.88	3.03	-45.55
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)NC1=N[N-]N=N1	REAL300019727479	0	40	-1.0	-40.63	332.72	3.67	-36.96
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)NC1=NN=N[N-]1	REAL300019727479	1	40	-1.0	-40.77	332.63	3.69	-37.08
O=C(NC1=N[N-]N=N1)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300019727480	0	42	-1.0	-42.81	347.61	8.97	-33.84
O=C(NC1=NN=N[N-]1)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300019727480	1	42	-1.0	-42.89	347.51	8.98	-33.91
CC(C)(C)OC(=O)N[C@H](C(=O)NC1=N[N-]N=N1)[C@@H]1CC2=CC=CC=C2O1	REAL300019727481	0	45	-1.0	-52.50	368.28	4.76	-47.74
CC(C)(C)OC(=O)N[C@H](C(=O)NC1=NN=N[N-]1)[C@@H]1CC2=CC=CC=C2O1	REAL300019727481	1	45	-1.0	-52.54	368.19	4.77	-47.77
COC1=CC(Br)=C(C(=O)NC2=NN=N[N-]2)C=C1F	REAL300019727482	0	24	-1.0	-42.35	239.27	3.81	-38.54
COC1=CC(Br)=C(C(=O)NC2=N[N-]N=N2)C=C1F	REAL300019727482	1	24	-1.0	-42.24	239.37	3.81	-38.43
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=N[N-]N=N1	REAL300019727483	0	38	-1.0	-49.35	314.66	3.44	-45.91
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=NN=N[N-]1	REAL300019727483	1	38	-1.0	-49.47	314.55	3.44	-46.03
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NC1=N[N-]N=N1	REAL300019727484	0	41	-1.0	-50.23	333.78	5.26	-44.97
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NC1=NN=N[N-]1	REAL300019727484	1	41	-1.0	-50.28	333.69	5.27	-45.01
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)C12COC2	REAL300019727485	0	42	-1.0	-49.34	331.93	3.39	-45.95
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)C12COC2	REAL300019727485	1	42	-1.0	-49.37	331.84	3.40	-45.97
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O	REAL300019727486	0	38	-1.0	-50.08	326.11	2.15	-47.93
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O	REAL300019727486	1	38	-1.0	-50.02	326.21	2.14	-47.88
O=C(NC1=NN=N[N-]1)C1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1	REAL300019727487	0	38	-1.0	-51.72	324.54	2.09	-49.63
O=C(NC1=N[N-]N=N1)C1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1	REAL300019727487	1	38	-1.0	-51.63	324.64	2.06	-49.57
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019727488	0	40	-1.0	-43.95	331.09	1.59	-42.36
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019727488	1	40	-1.0	-44.00	331.00	1.60	-42.40
CC(C)(C)OC(=O)N1CC(CC(=O)NC2=N[N-]N=N2)OCC12CCC2	REAL300019727489	0	48	-1.0	-48.41	367.87	5.39	-43.02
CC(C)(C)OC(=O)N1CC(CC(=O)NC2=NN=N[N-]2)OCC12CCC2	REAL300019727489	1	48	-1.0	-48.47	367.77	5.40	-43.07
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300019727490	0	42	-1.0	-42.58	359.22	2.90	-39.68
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300019727490	1	42	-1.0	-42.67	359.12	2.91	-39.76
CC(C)(C)OC(=O)N1CCC(CC2=NC(C(=O)NC3=N[N-]N=N3)=CS2)CC1	REAL300019727491	0	49	-1.0	-50.32	402.12	6.32	-44.00
CC(C)(C)OC(=O)N1CCC(CC2=NC(C(=O)NC3=NN=N[N-]3)=CS2)CC1	REAL300019727491	1	49	-1.0	-50.37	402.02	6.33	-44.04
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NC3=N[N-]N=N3)C2)C1	REAL300019727492	0	47	-1.0	-45.15	356.11	6.17	-38.98
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NC3=NN=N[N-]3)C2)C1	REAL300019727492	1	47	-1.0	-45.24	356.02	6.18	-39.06
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2=N[N-]N=N2)C1	REAL300019727493	0	43	-1.0	-53.99	336.07	5.00	-48.99
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2=NN=N[N-]2)C1	REAL300019727493	1	43	-1.0	-54.08	335.98	5.01	-49.07
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NC2=N[N-]N=N2)C1	REAL300019727494	0	47	-1.0	-48.18	369.18	6.80	-41.38
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NC2=NN=N[N-]2)C1	REAL300019727494	1	47	-1.0	-48.29	369.09	6.82	-41.47
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NC2=N[N-]N=N2)O[C@@H]2COC[C@H]21	REAL300019727495	0	46	-1.0	-46.55	355.21	3.08	-43.47
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NC2=NN=N[N-]2)O[C@@H]2COC[C@H]21	REAL300019727495	1	46	-1.0	-46.65	355.12	3.09	-43.56
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=N[N-]N=N2)C1	REAL300019727496	0	41	-1.0	-45.95	335.87	4.01	-41.94
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=NN=N[N-]2)C1	REAL300019727496	1	41	-1.0	-46.02	335.78	4.02	-42.00
CC(C)(C)OC(=O)N1CCC2CC(CC(=O)NC3=N[N-]N=N3)CCC2C1	REAL300019727497	0	53	-1.0	-48.56	396.52	7.73	-40.83
CC(C)(C)OC(=O)N1CCC2CC(CC(=O)NC3=NN=N[N-]3)CCC2C1	REAL300019727497	1	53	-1.0	-48.62	396.42	7.74	-40.88
CCOC(=O)C1(C(=O)NC2=N[N-]N=N2)CCCN(C(=O)OC(C)(C)C)C1	REAL300019727498	0	49	-1.0	-50.02	383.69	6.48	-43.54
CCOC(=O)C1(C(=O)NC2=NN=N[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300019727498	1	49	-1.0	-50.09	383.60	6.50	-43.59
COC1=CC=CC2=C1CC(C(=O)NC1=N[N-]N=N1)N2C(=O)OC(C)(C)C	REAL300019727499	0	45	-1.0	-54.65	364.48	6.05	-48.60
COC1=CC=CC2=C1CC(C(=O)NC1=NN=N[N-]1)N2C(=O)OC(C)(C)C	REAL300019727499	1	45	-1.0	-54.74	364.39	6.07	-48.67
CC(C)(C)OC(=O)NC(C(=O)NC1=N[N-]N=N1)(C1CC1)C(F)(F)F	REAL300019727500	0	40	-1.0	-50.05	324.37	3.60	-46.45
CC(C)(C)OC(=O)NC(C(=O)NC1=NN=N[N-]1)(C1CC1)C(F)(F)F	REAL300019727500	1	40	-1.0	-50.12	324.27	3.61	-46.51
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=N[N-]N=N2)C12CCC2	REAL300019727501	0	44	-1.0	-46.97	337.20	4.93	-42.04
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NN=N[N-]2)C12CCC2	REAL300019727501	1	44	-1.0	-47.05	337.11	4.94	-42.11
CN1N=C2CCN(C(=O)OC(C)(C)C)CC2=C1C(=O)NC1=N[N-]N=N1	REAL300019727502	0	44	-1.0	-48.24	359.16	4.55	-43.69
CN1N=C2CCN(C(=O)OC(C)(C)C)CC2=C1C(=O)NC1=NN=N[N-]1	REAL300019727502	1	44	-1.0	-48.33	359.06	4.56	-43.77
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)NC1=N[N-]N=N1)C(F)(F)F	REAL300019727503	0	42	-1.0	-49.87	331.31	4.34	-45.53
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)NC1=NN=N[N-]1)C(F)(F)F	REAL300019727503	1	42	-1.0	-49.94	331.22	4.35	-45.59
O=C(NC1=NN=N[N-]1)C1=C(F)C=C(Br)C=C1[N+](=O)[O-]	REAL300019727504	0	22	-1.0	-50.91	243.51	5.22	-45.69
O=C(NC1=N[N-]N=N1)C1=C(F)C=C(Br)C=C1[N+](=O)[O-]	REAL300019727504	1	22	-1.0	-50.85	243.61	5.21	-45.64
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300019727505	0	34	-1.0	-53.26	290.03	2.25	-51.01
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300019727505	1	34	-1.0	-53.22	290.13	2.24	-50.98
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NC1=N[N-]N=N1	REAL300019727506	0	41	-1.0	-56.37	321.32	5.78	-50.59
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NC1=NN=N[N-]1	REAL300019727506	1	41	-1.0	-56.45	321.23	5.79	-50.66
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019727507	0	23	-1.0	-43.89	238.77	5.22	-38.67
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019727507	1	23	-1.0	-43.77	238.87	5.21	-38.56
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019727508	0	26	-1.0	-41.60	265.52	6.22	-35.38
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019727508	1	26	-1.0	-41.52	265.62	6.20	-35.32
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1=N[N-]N=N1	REAL300019727509	0	33	-1.0	-45.31	295.99	7.32	-37.99
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1=NN=N[N-]1	REAL300019727509	1	33	-1.0	-45.42	295.90	7.33	-38.09
O=C(NC1=N[N-]N=N1)C1=CC2=NNN=C2C(Br)=C1	REAL300019727510	0	22	-1.0	-41.72	228.62	1.66	-40.06
O=C(NC1=NN=N[N-]1)C1=CC2=NNN=C2C(Br)=C1	REAL300019727510	1	22	-1.0	-41.78	228.53	1.67	-40.11
CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)NC2=N[N-]N=N2)C1	REAL300019727511	0	47	-1.0	-56.57	358.52	3.21	-53.36
CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)NC2=NN=N[N-]2)C1	REAL300019727511	1	47	-1.0	-56.65	358.43	3.22	-53.43
CC(C)(C)OC(=O)NC(CCCCCC1OCCO1)C(=O)NC1=N[N-]N=N1	REAL300019727512	0	54	-1.0	-51.10	430.73	4.64	-46.46
CC(C)(C)OC(=O)NC(CCCCCC1OCCO1)C(=O)NC1=NN=N[N-]1	REAL300019727512	1	54	-1.0	-51.16	430.64	4.66	-46.50
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NC1=N[N-]N=N1	REAL300019727513	0	26	-1.0	-48.07	274.52	3.91	-44.16
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NC1=NN=N[N-]1	REAL300019727513	1	26	-1.0	-48.17	274.42	3.92	-44.25
O=C(CCN1C2=C(C=C(Cl)C=C2)C2=C1C=CC(Cl)=C2)NC1=N[N-]N=N1	REAL300019727514	0	36	-1.0	-41.36	345.80	9.57	-31.79
O=C(CCN1C2=C(C=C(Cl)C=C2)C2=C1C=CC(Cl)=C2)NC1=NN=N[N-]1	REAL300019727514	1	36	-1.0	-41.44	345.71	9.58	-31.86
O=C(NC1=N[N-]N=N1)C1CC(C2=CC=CC(Br)=C2)=NO1	REAL300019727515	0	28	-1.0	-48.35	276.86	5.70	-42.65
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CC(Br)=C2)=NO1	REAL300019727515	1	28	-1.0	-48.35	276.77	5.72	-42.63
O=C(CN1C=C(I)C=N1)NC1=N[N-]N=N1	REAL300019727516	0	20	-1.0	-49.49	220.60	3.00	-46.49
O=C(CN1C=C(I)C=N1)NC1=NN=N[N-]1	REAL300019727516	1	20	-1.0	-49.57	220.50	3.01	-46.56
O=C(NC1=NN=N[N-]1)C1=CN=C2C=C(Br)C=CN12	REAL300019727517	0	23	-1.0	-42.99	234.18	4.73	-38.26
O=C(NC1=N[N-]N=N1)C1=CN=C2C=C(Br)C=CN12	REAL300019727517	1	23	-1.0	-42.92	234.28	4.71	-38.21
O=C(CCC1=C(C2=CC=CC=C2)NC2=C(Cl)C=CC=C12)NC1=N[N-]N=N1	REAL300019727518	0	40	-1.0	-44.28	358.98	9.19	-35.09
O=C(CCC1=C(C2=CC=CC=C2)NC2=C(Cl)C=CC=C12)NC1=NN=N[N-]1	REAL300019727518	1	40	-1.0	-44.31	358.88	9.21	-35.10
CC(C)(C)OC(=O)NC1CC2CCC1(C(=O)NC1=N[N-]N=N1)C2(C)C	REAL300019727519	0	50	-1.0	-45.45	367.59	5.80	-39.65
CC(C)(C)OC(=O)NC1CC2CCC1(C(=O)NC1=NN=N[N-]1)C2(C)C	REAL300019727519	1	50	-1.0	-45.57	367.50	5.81	-39.76
CC(C)(C)OC(=O)NC1(C(=O)NC2=N[N-]N=N2)CC2CCC(C2)C1	REAL300019727520	0	47	-1.0	-51.21	331.09	4.51	-46.70
CC(C)(C)OC(=O)NC1(C(=O)NC2=NN=N[N-]2)CC2CCC(C2)C1	REAL300019727520	1	47	-1.0	-51.31	331.00	4.53	-46.78
COC1=C(Cl)C=C(C(=O)NC2=NN=N[N-]2)C2=NC=CC=C21	REAL300019727521	0	29	-1.0	-50.26	275.38	4.65	-45.61
COC1=C(Cl)C=C(C(=O)NC2=N[N-]N=N2)C2=NC=CC=C21	REAL300019727521	1	29	-1.0	-50.17	275.48	4.65	-45.52
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NC2=N[N-]N=N2)C1	REAL300019727522	0	41	-1.0	-44.92	333.04	4.84	-40.08
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NC2=NN=N[N-]2)C1	REAL300019727522	1	41	-1.0	-45.03	332.95	4.87	-40.16
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)NC2=N[N-]N=N2)=C1F	REAL300019727523	0	37	-1.0	-51.20	324.46	4.45	-46.75
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)NC2=NN=N[N-]2)=C1F	REAL300019727523	1	37	-1.0	-51.31	324.36	4.45	-46.86
O=C(NC1=N[N-]N=N1)C1CCC(C(F)(F)F)CC1C(F)(F)F	REAL300019727524	0	32	-1.0	-44.38	286.13	5.56	-38.82
O=C(NC1=NN=N[N-]1)C1CCC(C(F)(F)F)CC1C(F)(F)F	REAL300019727524	1	32	-1.0	-44.43	286.02	5.57	-38.86
O=C(NC1=N[N-]N=N1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300019727525	0	26	-1.0	-37.08	265.09	6.00	-31.08
O=C(NC1=NN=N[N-]1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300019727525	1	26	-1.0	-37.20	264.99	6.02	-31.18
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=N[N-]N=N3)C(=O)N2)C1	REAL300019727526	0	42	-1.0	-55.02	321.71	5.46	-49.56
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=NN=N[N-]3)C(=O)N2)C1	REAL300019727526	1	42	-1.0	-55.10	321.61	5.47	-49.63
O=C(NC1=NN=N[N-]1)C1=COC(CN2C=C(Br)C=N2)=C1	REAL300019727527	0	27	-1.0	-51.34	276.77	4.24	-47.10
O=C(NC1=N[N-]N=N1)C1=COC(CN2C=C(Br)C=N2)=C1	REAL300019727527	1	27	-1.0	-51.22	276.87	4.24	-46.98
O=C(CC1=C(F)C=CC(F)=C1Br)NC1=N[N-]N=N1	REAL300019727528	0	23	-1.0	-44.44	241.24	5.04	-39.40
O=C(CC1=C(F)C=CC(F)=C1Br)NC1=NN=N[N-]1	REAL300019727528	1	23	-1.0	-44.49	241.14	5.06	-39.43
O=C(NC1=N[N-]N=N1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300019727529	0	34	-1.0	-60.62	293.09	3.63	-56.99
O=C(NC1=NN=N[N-]1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300019727529	1	34	-1.0	-60.66	292.99	3.65	-57.01
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300019727530	0	29	-1.0	-45.58	275.69	6.01	-39.57
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300019727530	1	29	-1.0	-45.49	275.79	6.01	-39.48
O=C(CC1=C(Br)C=CC(Cl)=C1F)NC1=N[N-]N=N1	REAL300019727531	0	23	-1.0	-43.88	251.72	5.50	-38.38
O=C(CC1=C(Br)C=CC(Cl)=C1F)NC1=NN=N[N-]1	REAL300019727531	1	23	-1.0	-43.94	251.62	5.52	-38.42
O=C(CC1=CC=C(Br)C2=CC=CC=C12)NC1=N[N-]N=N1	REAL300019727532	0	29	-1.0	-45.70	273.25	7.10	-38.60
O=C(CC1=CC=C(Br)C2=CC=CC=C12)NC1=NN=N[N-]1	REAL300019727532	1	29	-1.0	-45.79	273.15	7.12	-38.67
O=C(NC1=NN=N[N-]1)C1=COC2=CC=C(Br)C=C12	REAL300019727533	0	23	-1.0	-48.44	237.38	4.77	-43.67
O=C(NC1=N[N-]N=N1)C1=COC2=CC=C(Br)C=C12	REAL300019727533	1	23	-1.0	-48.39	237.49	4.76	-43.63
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC1=N[N-]N=N1	REAL300019727534	0	44	-1.0	-44.04	340.76	4.25	-39.79
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC1=NN=N[N-]1	REAL300019727534	1	44	-1.0	-44.16	340.67	4.27	-39.89
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL300019727535	0	50	-1.0	-49.82	410.08	7.84	-41.98
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL300019727535	1	50	-1.0	-49.71	410.18	7.83	-41.88
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=N[N-]N=N1	REAL300019727536	0	29	-1.0	-41.98	280.83	6.72	-35.26
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=NN=N[N-]1	REAL300019727536	1	29	-1.0	-42.05	280.74	6.74	-35.31
O=C(NC1=NN=N[N-]1)C1=CC2=CC=C(Br)C=C2O1	REAL300019727537	0	23	-1.0	-40.59	239.89	4.80	-35.79
O=C(NC1=N[N-]N=N1)C1=CC2=CC=C(Br)C=C2O1	REAL300019727537	1	23	-1.0	-40.54	239.99	4.79	-35.75
CC1=C(F)C=C(C(=O)NC2=NN=N[N-]2)C=C1I	REAL300019727538	0	23	-1.0	-40.33	237.99	5.46	-34.87
CC1=C(F)C=C(C(=O)NC2=N[N-]N=N2)C=C1I	REAL300019727538	1	23	-1.0	-40.28	238.09	5.45	-34.83
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CCCN(C(=O)OC(C)(C)C)C2)=N1	REAL300019727539	0	49	-1.0	-46.28	399.00	6.15	-40.13
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CCCN(C(=O)OC(C)(C)C)C2)=N1	REAL300019727539	1	49	-1.0	-46.36	398.90	6.16	-40.20
CC(CN1C=C(C(=O)NC2=NN=N[N-]2)C=N1)NC(=O)OC(C)(C)C	REAL300019727540	0	43	-1.0	-51.08	360.85	3.06	-48.02
CC(CN1C=C(C(=O)NC2=N[N-]N=N2)C=N1)NC(=O)OC(C)(C)C	REAL300019727540	1	43	-1.0	-50.96	360.95	3.06	-47.90
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019727541	0	47	0.0	-77.71	372.16	7.18	-70.53
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019727541	1	47	0.0	-73.85	373.22	7.38	-66.47
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019727541	1	47	0.0	-77.63	372.25	7.17	-70.46
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019727541	1	47	0.0	-73.77	373.31	7.36	-66.41
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NC3=NN=N[N-]3)C=CC(F)=C2C1	REAL300019727542	0	44	-1.0	-45.80	353.03	7.01	-38.79
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NC3=N[N-]N=N3)C=CC(F)=C2C1	REAL300019727542	1	44	-1.0	-45.71	353.13	7.00	-38.71
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300019727543	0	46	-1.0	-46.05	369.83	5.30	-40.75
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300019727543	1	46	-1.0	-45.97	369.94	5.28	-40.69
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC(C)=C1CN(C)C(=O)OC(C)(C)C	REAL300019727544	0	49	-1.0	-48.71	373.73	7.35	-41.36
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC(C)=C1CN(C)C(=O)OC(C)(C)C	REAL300019727544	1	49	-1.0	-48.68	373.83	7.34	-41.34
COC1=CC=C(N2CCCCC2)C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019727545	0	39	-1.0	-48.77	311.57	5.72	-43.05
COC1=CC=C(N2CCCCC2)C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019727545	1	39	-1.0	-48.71	311.67	5.71	-43.00
COC1CC(C(=O)NC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019727546	0	44	-1.0	-46.03	347.44	3.79	-42.24
COC1CC(C(=O)NC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019727546	1	44	-1.0	-46.05	347.35	3.80	-42.25
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1	REAL300019727547	0	32	-1.0	-54.16	290.18	4.62	-49.54
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1	REAL300019727547	1	32	-1.0	-54.07	290.28	4.60	-49.47
CC(C)(C)OC(=O)NCC1CC(CC(=O)NC2=N[N-]N=N2)CO1	REAL300019727548	0	44	-1.0	-47.82	354.16	2.17	-45.65
CC(C)(C)OC(=O)NCC1CC(CC(=O)NC2=NN=N[N-]2)CO1	REAL300019727548	1	44	-1.0	-47.91	354.07	2.18	-45.73
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL300019727549	0	46	-1.0	-46.42	376.53	5.47	-40.95
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL300019727549	1	46	-1.0	-46.49	376.44	5.49	-41.00
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=N[N-]N=N3)CO2)CC1	REAL300019727550	0	48	-1.0	-44.99	370.35	4.89	-40.10
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=NN=N[N-]3)CO2)CC1	REAL300019727550	1	48	-1.0	-45.03	370.26	4.90	-40.13
CC(C)(C)OC(=O)N1CCC(CC(=O)NC2=N[N-]N=N2)C(F)(F)CC1	REAL300019727551	0	46	-1.0	-50.96	354.97	6.15	-44.81
CC(C)(C)OC(=O)N1CCC(CC(=O)NC2=NN=N[N-]2)C(F)(F)CC1	REAL300019727551	1	46	-1.0	-51.08	354.88	6.16	-44.92
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NC2=N[N-]N=N2)O1	REAL300019727552	0	41	-1.0	-51.07	323.14	4.22	-46.85
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NC2=NN=N[N-]2)O1	REAL300019727552	1	41	-1.0	-51.13	323.05	4.23	-46.90
CC(C(=O)NC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300019727553	0	36	-1.0	-47.02	321.07	8.98	-38.04
CC(C(=O)NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300019727553	1	36	-1.0	-47.03	320.97	9.00	-38.03
O=C(NC1=N[N-]N=N1)C1CC(F)(F)CN1C(=O)OCC1=CC=CC=C1	REAL300019727554	0	38	-1.0	-50.45	341.37	6.27	-44.18
O=C(NC1=NN=N[N-]1)C1CC(F)(F)CN1C(=O)OCC1=CC=CC=C1	REAL300019727554	1	38	-1.0	-50.49	341.27	6.29	-44.20
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NC1=N[N-]N=N1)=CC(=O)N2	REAL300019727555	0	44	-1.0	-54.30	352.81	3.78	-50.52
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NC1=NN=N[N-]1)=CC(=O)N2	REAL300019727555	1	44	-1.0	-54.37	352.72	3.79	-50.58
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)NC3=N[N-]N=N3)C2)C1	REAL300019727556	0	42	-1.0	-54.33	352.05	4.54	-49.79
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)NC3=NN=N[N-]3)C2)C1	REAL300019727556	1	42	-1.0	-54.36	351.95	4.55	-49.81
CCCC(NC(=O)C1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019732202	0	52	-1.0	-49.31	423.72	8.89	-40.42
CCCC(NC(=O)C1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019732202	1	52	-1.0	-49.34	423.78	8.91	-40.43
CCCC(NC(=O)C1CC1C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300019732203	0	39	-1.0	-56.11	338.66	5.73	-50.38
CCCC(NC(=O)C1CC1C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL300019732203	1	39	-1.0	-56.10	338.72	5.74	-50.36
CCCC(NC(=O)CCCCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019732204	0	44	-1.0	-45.30	380.04	7.19	-38.11
CCCC(NC(=O)CCCCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019732204	1	44	-1.0	-45.30	380.10	7.20	-38.10
CCCOC1=CC=C(CCC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL300019732205	0	48	-1.0	-45.26	393.18	6.13	-39.13
CCCOC1=CC=C(CCC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL300019732205	1	48	-1.0	-45.29	393.24	6.15	-39.14
CCCC(NC(=O)C(CC)OC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019732206	0	45	-1.0	-49.25	361.27	6.03	-43.22
CCCC(NC(=O)C(CC)OC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019732206	1	45	-1.0	-49.23	361.33	6.05	-43.18
CCCC(NC(=O)C=C(C)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732207	0	42	-1.0	-44.28	367.89	6.62	-37.66
CCCC(NC(=O)C=C(C)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732207	1	42	-1.0	-44.28	367.94	6.64	-37.64
CCCC(NC(=O)C1=CC=C(NC(=O)OCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019732208	0	43	-1.0	-50.74	382.82	3.23	-47.51
CCCC(NC(=O)C1=CC=C(NC(=O)OCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019732208	1	43	-1.0	-50.77	382.88	3.25	-47.52
CCCC(NC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=N[N-]N=N1	REAL300019732209	0	44	-1.0	-59.91	362.75	1.64	-58.27
CCCC(NC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=NN=N[N-]1	REAL300019732209	1	44	-1.0	-59.91	362.81	1.65	-58.26
CCCC(NC(=O)C1=CC=CC(CSC2=CC(C)=CC=C2C)=C1)C1=N[N-]N=N1	REAL300019732210	0	52	-1.0	-50.53	435.80	9.75	-40.78
CCCC(NC(=O)C1=CC=CC(CSC2=CC(C)=CC=C2C)=C1)C1=NN=N[N-]1	REAL300019732210	1	52	-1.0	-50.55	435.86	9.76	-40.79
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(CC)O2)CC1)C1=N[N-]N=N1	REAL300019732211	0	52	-1.0	-53.08	415.86	5.39	-47.69
CCCC(NC(=O)C1CCN(C(=O)C2=CC=C(CC)O2)CC1)C1=NN=N[N-]1	REAL300019732211	1	52	-1.0	-53.07	415.92	5.41	-47.66
CCCC(NC(=O)C1SCCC2=C1C=CS2)C1=N[N-]N=N1	REAL300019732212	0	37	-1.0	-47.80	328.62	4.75	-43.05
CCCC(NC(=O)C1SCCC2=C1C=CS2)C1=NN=N[N-]1	REAL300019732212	1	37	-1.0	-47.79	328.66	4.76	-43.03
CCCC(NC(=O)CC(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732213	0	48	-1.0	-51.02	384.78	2.35	-48.67
CCCC(NC(=O)CC(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732213	1	48	-1.0	-51.03	384.83	2.37	-48.66
CCCC(NC(=O)C1=CC(Br)=CN1C(C)C)C1=N[N-]N=N1	REAL300019732214	0	39	-1.0	-43.91	341.58	5.12	-38.79
CCCC(NC(=O)C1=CC(Br)=CN1C(C)C)C1=NN=N[N-]1	REAL300019732214	1	39	-1.0	-43.88	341.64	5.14	-38.74
CCCC(NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732215	0	52	-1.0	-56.41	413.59	5.82	-50.59
CCCC(NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732215	1	52	-1.0	-56.41	413.65	5.83	-50.58
CCCC(NC(=O)CC(C)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019732216	0	41	-1.0	-47.90	351.44	6.06	-41.84
CCCC(NC(=O)CC(C)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019732216	1	41	-1.0	-47.91	351.50	6.08	-41.83
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(CC)=N1)C1=N[N-]N=N1	REAL300019732217	0	44	-1.0	-59.27	377.99	5.85	-53.42
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(CC)=N1)C1=NN=N[N-]1	REAL300019732217	1	44	-1.0	-59.25	378.04	5.86	-53.39
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C=C2)S1)C1=NN=N[N-]1	REAL300019732218	0	42	-1.0	-46.64	370.56	3.86	-42.78
CCCC(NC(=O)C1=CN=C(C2=CC=C(OC)C=C2)S1)C1=N[N-]N=N1	REAL300019732218	1	42	-1.0	-46.62	370.50	3.84	-42.78
CCCC(NC(=O)C1=CN(CC2=CC=CS2)N=N1)C1=NN=N[N-]1	REAL300019732219	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	REAL300019732219	1	38	-1.0	-46.45	347.06	2.90	-43.55
CCCC(NC(=O)CC(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019732220	0	47	-1.0	-66.44	404.44	1.64	-64.80
CCCC(NC(=O)CC(C)NC1=NS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019732220	1	47	-1.0	-66.42	404.50	1.66	-64.76
CCCC(NC(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=N[N-]N=N1	REAL300019732221	0	48	-1.0	-52.41	393.70	4.63	-47.78
CCCC(NC(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=NN=N[N-]1	REAL300019732221	1	48	-1.0	-52.42	393.76	4.65	-47.77
CCCC(NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019732222	0	48	-1.0	-45.37	377.34	7.31	-38.06
CCCC(NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019732222	1	48	-1.0	-45.34	377.37	7.32	-38.02
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019732223	0	47	-1.0	-52.64	397.47	3.46	-49.18
CCCC(NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019732223	1	47	-1.0	-52.64	397.53	3.47	-49.17
CCCC(NC(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=NN=N[N-]1	REAL300019732224	0	48	-1.0	-53.55	394.26	5.10	-48.45
CCCC(NC(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=N[N-]N=N1	REAL300019732224	1	48	-1.0	-53.50	394.21	5.09	-48.41
CCCC(NC(=O)C(C)CSC(F)(F)F)C1=N[N-]N=N1	REAL300019732225	0	35	-1.0	-42.51	320.79	3.73	-38.78
CCCC(NC(=O)C(C)CSC(F)(F)F)C1=NN=N[N-]1	REAL300019732225	1	35	-1.0	-42.52	320.85	3.74	-38.78
CCCC(NC(=O)C1SCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019732226	0	40	-1.0	-49.43	336.21	5.56	-43.87
CCCC(NC(=O)C1SCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019732226	1	40	-1.0	-49.40	336.27	5.59	-43.81
CCCC(NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732227	0	44	-1.0	-46.72	371.78	7.31	-39.41
CCCC(NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732227	1	44	-1.0	-46.68	371.84	7.33	-39.35
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL300019732228	0	42	-1.0	-52.83	370.11	3.39	-49.44
CCCC(NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL300019732228	1	42	-1.0	-52.81	370.17	3.41	-49.40
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019732229	0	49	-1.0	-50.60	394.01	3.68	-46.92
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019732229	1	49	-1.0	-50.58	394.07	3.71	-46.87
CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019732230	0	51	0.0	-65.45	399.53	7.26	-58.19
CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019732230	1	51	0.0	-65.71	399.96	7.29	-58.42
CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019732230	1	51	0.0	-65.50	399.59	7.28	-58.22
CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019732230	1	51	0.0	-65.75	400.02	7.30	-58.45
CCCC(NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019732231	0	44	-1.0	-51.34	366.59	6.35	-44.99
CCCC(NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019732231	1	44	-1.0	-51.32	366.65	6.37	-44.95
CCCC(NC(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=NN=N[N-]1	REAL300019732232	0	52	-1.0	-48.24	424.77	5.67	-42.57
CCCC(NC(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=N[N-]N=N1	REAL300019732232	1	52	-1.0	-48.24	424.72	5.65	-42.59
CCCC(NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL300019732233	0	42	-1.0	-54.69	354.43	4.95	-49.74
CCCC(NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL300019732233	1	42	-1.0	-54.67	354.37	4.94	-49.73
CCCC(NC(=O)C1=CC2=C(S1)N(C)N=C2C(C)C)C1=NN=N[N-]1	REAL300019732234	0	44	-1.0	-46.24	380.28	4.65	-41.59
CCCC(NC(=O)C1=CC([N-]S(C)(=O)=O)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL300019732235	0	47	-2.0	-110.11	406.88	-0.21	-110.32
CCCC(NC(=O)C1=CC([N-]S(C)(=O)=O)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL300019732235	1	47	-2.0	-110.10	406.94	-0.20	-110.30
CCCC(NC(=O)C1=CC(NS(C)(=O)=O)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL300019732235	1	48	-1.0	-52.81	408.02	-0.23	-53.04
CCCC(NC(=O)C1=CC(NS(C)(=O)=O)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL300019732235	1	48	-1.0	-52.86	408.08	-0.22	-53.08
CCCC(NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL300019732236	0	45	-1.0	-46.82	373.60	5.82	-41.00
CCCC(NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL300019732236	1	45	-1.0	-46.87	373.66	5.83	-41.04
CCCC(NC(=O)C1=CN=C(C(C)OCC)S1)C1=N[N-]N=N1	REAL300019732237	0	41	-1.0	-46.53	358.40	2.21	-44.32
CCCC(NC(=O)C1=CN=C(C(C)OCC)S1)C1=NN=N[N-]1	REAL300019732237	1	41	-1.0	-46.51	358.45	2.23	-44.28
CCCC(NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732238	0	52	-1.0	-43.87	403.13	4.28	-39.59
CCCC(NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732238	1	52	-1.0	-43.86	403.19	4.30	-39.56
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019732239	0	52	-1.0	-57.97	414.84	4.83	-53.14
CCCC(NC(=O)C1=CC=C(C)C(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019732239	1	52	-1.0	-57.99	414.90	4.83	-53.16
CCCC(NC(=O)C1=CC=C(OCCOC)N=C1)C1=NN=N[N-]1	REAL300019732240	0	42	-1.0	-46.29	356.95	0.57	-45.72
CCCC(NC(=O)C1=CC=C(OCCOC)N=C1)C1=N[N-]N=N1	REAL300019732240	1	42	-1.0	-46.27	356.89	0.56	-45.71
CCCC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=N[N-]N=N1	REAL300019732241	0	42	-1.0	-43.35	364.79	6.16	-37.19
CCCC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=NN=N[N-]1	REAL300019732241	1	42	-1.0	-43.33	364.85	6.17	-37.16
CCCCCCCCCCCCCC(=O)NC(CCC)C1=N[N-]N=N1	REAL300019732242	0	61	-1.0	-44.93	475.39	9.89	-35.04
CCCCCCCCCCCCCC(=O)NC(CCC)C1=NN=N[N-]1	REAL300019732242	1	61	-1.0	-44.95	475.45	9.90	-35.05
CCCC(NC(=O)C1=CC=CC(Br)=C1C)C1=N[N-]N=N1	REAL300019732243	0	35	-1.0	-44.87	308.22	4.82	-40.05
CCCC(NC(=O)C1=CC=CC(Br)=C1C)C1=NN=N[N-]1	REAL300019732243	1	35	-1.0	-44.91	308.27	4.83	-40.08
CCCC(NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=N[N-]N=N1	REAL300019732244	0	49	-1.0	-48.45	406.46	4.75	-43.70
CCCC(NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=NN=N[N-]1	REAL300019732244	1	49	-1.0	-48.49	406.52	4.76	-43.73
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300019732245	0	45	-1.0	-49.99	383.07	5.21	-44.78
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300019732245	1	45	-1.0	-50.01	383.01	5.19	-44.82
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL300019732246	0	49	-1.0	-45.98	406.94	2.27	-43.71
CCCC(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL300019732246	1	49	-1.0	-45.96	406.99	2.28	-43.68
CCCC(NC(=O)C(C)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300019732247	0	35	-1.0	-47.21	328.47	4.78	-42.43
CCCC(NC(=O)C(C)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300019732247	1	35	-1.0	-47.22	328.52	4.79	-42.43
CCCC(NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300019732248	0	43	-1.0	-44.99	367.02	2.06	-42.93
CCCC(NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300019732248	1	43	-1.0	-45.01	367.07	2.08	-42.93
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1C)C1=N[N-]N=N1	REAL300019732249	0	47	-1.0	-57.22	386.71	2.80	-54.42
CCCC(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1C)C1=NN=N[N-]1	REAL300019732249	1	47	-1.0	-57.23	386.77	2.82	-54.41
CCCC(NC(=O)C(C)CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732250	0	45	-1.0	-49.25	366.47	5.22	-44.03
CCCC(NC(=O)C(C)CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732250	1	45	-1.0	-49.22	366.53	5.24	-43.98
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL300019732251	0	35	-1.0	-46.84	313.75	4.80	-42.04
CCCC(NC(=O)C1=CC=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL300019732251	1	35	-1.0	-46.81	313.81	4.81	-42.00
CCCC(NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=NN=N[N-]1	REAL300019732252	0	40	-1.0	-48.28	336.91	1.09	-47.19
CCCC(NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=N[N-]N=N1	REAL300019732252	1	40	-1.0	-48.34	336.85	1.07	-47.27
CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019732253	0	51	0.0	-56.82	379.24	5.91	-50.91
CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019732253	1	51	0.0	-58.47	380.08	5.97	-52.50
CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019732253	1	51	0.0	-56.79	379.19	5.90	-50.89
CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019732253	1	51	0.0	-58.48	380.02	5.96	-52.52
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=N[N-]N=N1	REAL300019732254	0	35	-1.0	-52.17	316.73	4.67	-47.50
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=NN=N[N-]1	REAL300019732254	1	35	-1.0	-52.17	316.78	4.69	-47.48
CCCC(NC(=O)CN(C)C1=CC=C(C(F)(F)F)C=C1C=O)C1=N[N-]N=N1	REAL300019732255	0	45	-1.0	-50.56	388.42	5.20	-45.36
CCCC(NC(=O)CN(C)C1=CC=C(C(F)(F)F)C=C1C=O)C1=NN=N[N-]1	REAL300019732255	1	45	-1.0	-50.52	388.47	5.22	-45.30
CCCC(NC(=O)C1=CC(C2CC2)=NC2=CC=C(C)C=C21)C1=N[N-]N=N1	REAL300019732256	0	47	-1.0	-47.69	381.50	6.70	-40.99
CCCC(NC(=O)C1=CC(C2CC2)=NC2=CC=C(C)C=C21)C1=NN=N[N-]1	REAL300019732256	1	47	-1.0	-47.68	381.56	6.71	-40.97
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300019732257	0	42	-1.0	-45.21	364.84	5.10	-40.11
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300019732257	1	42	-1.0	-45.20	364.90	5.11	-40.09
CCCC(NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019732258	0	50	-1.0	-60.57	407.79	3.23	-57.34
CCCC(NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019732258	1	50	-1.0	-60.55	407.85	3.25	-57.30
CCCC(NC(=O)C1CCN(CC2=NC=CN2C)CC1)C1=N[N-]N=N1	REAL300019732259	0	50	-1.0	-55.96	389.65	3.24	-52.72
CCCC(NC(=O)C1CCN(CC2=NC=CN2C)CC1)C1=NN=N[N-]1	REAL300019732259	1	50	-1.0	-56.00	389.71	3.26	-52.74
CCCC(NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=N[N-]N=N1	REAL300019732260	0	45	-1.0	-49.55	381.56	5.86	-43.69
CCCC(NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=NN=N[N-]1	REAL300019732260	1	45	-1.0	-49.55	381.61	5.89	-43.66
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300019732261	0	52	-1.0	-48.72	406.96	3.41	-45.31
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300019732261	1	52	-1.0	-48.73	407.02	3.43	-45.30
CCCC(NC(=O)CC1(CS(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019732262	0	41	-1.0	-48.57	347.99	0.97	-47.60
CCCC(NC(=O)CC1(CS(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019732262	1	41	-1.0	-48.58	348.05	0.98	-47.60
CCCC(NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732263	0	51	-1.0	-50.11	398.37	4.15	-45.96
CCCC(NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732263	1	51	-1.0	-50.16	398.42	4.17	-45.99
CCCC(NC(=O)CNS(=O)(=O)CCOC(C)C)C1=N[N-]N=N1	REAL300019732264	0	46	-1.0	-53.52	392.67	-1.52	-55.04
CCCC(NC(=O)CNS(=O)(=O)CCOC(C)C)C1=NN=N[N-]1	REAL300019732264	1	46	-1.0	-53.53	392.73	-1.50	-55.03
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300019732265	0	42	-1.0	-46.09	377.42	4.43	-41.66
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300019732265	1	42	-1.0	-46.09	377.37	4.41	-41.68
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=N[N-]N=N1	REAL300019732266	0	45	-1.0	-55.68	375.81	4.96	-50.72
CCCC(NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=NN=N[N-]1	REAL300019732266	1	45	-1.0	-55.66	375.86	4.98	-50.68
CCCC(NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=NN=N[N-]1	REAL300019732267	0	35	-1.0	-53.55	310.58	4.08	-49.47
CCCC(NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=N[N-]N=N1	REAL300019732267	1	35	-1.0	-53.48	310.53	4.07	-49.41
CCCC(NC(=O)CN1C=C(C(=O)OC)N=N1)C1=NN=N[N-]1	REAL300019732268	0	37	-1.0	-57.91	330.94	0.91	-57.00
CCCC(NC(=O)CN1C=C(C(=O)OC)N=N1)C1=N[N-]N=N1	REAL300019732268	1	37	-1.0	-57.94	330.89	0.90	-57.04
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=N[N-]N=N1	REAL300019732269	0	45	-1.0	-50.05	361.45	1.35	-48.70
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=NN=N[N-]1	REAL300019732269	1	45	-1.0	-50.06	361.51	1.36	-48.70
CCCC(NC(=O)CCN1C(=S)NN=C1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019732270	0	48	-1.0	-44.67	409.29	7.22	-37.45
CCCC(NC(=O)CCN1C(=S)NN=C1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019732270	1	48	-1.0	-44.76	409.35	7.24	-37.52
CCCC(NC(=O)CCN1C(=S)[N-]N=C1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019732270	1	47	-2.0	-102.89	406.00	7.06	-95.83
CCCC(NC(=O)CCN1C(=S)[N-]N=C1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019732270	1	47	-2.0	-102.89	406.05	7.08	-95.81
CCCC(NC(=O)CSC1=N[N-]C(=S)S1)C1=N[N-]N=N1	REAL300019732271	0	31	-2.0	-83.96	320.28	1.50	-82.46
CCCC(NC(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL300019732271	1	31	-2.0	-83.90	320.33	1.51	-82.39
CCCC(NC(=O)CSC1=NNC(=S)S1)C1=N[N-]N=N1	REAL300019732271	1	32	-1.0	-44.05	323.70	1.64	-42.41
CCCC(NC(=O)CSC1=NNC(=S)S1)C1=NN=N[N-]1	REAL300019732271	1	32	-1.0	-44.04	323.76	1.66	-42.38
CCCC(NC(=O)CC1=COC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL300019732272	0	38	-1.0	-47.23	333.17	4.72	-42.51
CCCC(NC(=O)CC1=COC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL300019732272	1	38	-1.0	-47.18	333.23	4.74	-42.44
CCCC(NC(=O)CCC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL300019732273	0	38	-1.0	-43.72	354.27	6.09	-37.63
CCCC(NC(=O)CCC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL300019732273	1	38	-1.0	-43.73	354.33	6.10	-37.63
CCCC(NC(=O)C1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL300019732274	0	31	-1.0	-42.55	290.80	2.36	-40.19
CCCC(NC(=O)C1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL300019732274	1	31	-1.0	-42.56	290.74	2.35	-40.21
CCCC(NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019732275	0	49	-1.0	-46.49	394.90	3.66	-42.83
CCCC(NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019732275	1	49	-1.0	-46.45	394.95	3.67	-42.78
CCCC(NC(=O)CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732276	0	59	-1.0	-54.70	430.56	5.79	-48.91
CCCC(NC(=O)CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732276	1	59	-1.0	-54.69	430.62	5.80	-48.89
CCCC(NC(=O)C(C)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300019732277	0	35	-1.0	-47.20	323.83	4.66	-42.54
CCCC(NC(=O)C(C)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300019732277	1	35	-1.0	-47.21	323.89	4.68	-42.53
CCCC(NC(=O)CCCC1=CSC(C)=N1)C1=N[N-]N=N1	REAL300019732278	0	40	-1.0	-49.91	348.07	3.60	-46.31
CCCC(NC(=O)CCCC1=CSC(C)=N1)C1=NN=N[N-]1	REAL300019732278	1	40	-1.0	-49.91	348.12	3.62	-46.29
CCCC(NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=N[N-]N=N1	REAL300019732279	0	52	-1.0	-46.22	399.35	6.14	-40.08
CCCC(NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=NN=N[N-]1	REAL300019732279	1	52	-1.0	-46.20	399.40	6.16	-40.04
CCCC(NC(=O)CC=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019732280	0	39	-1.0	-45.87	336.37	5.68	-40.19
CCCC(NC(=O)CC=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019732280	1	39	-1.0	-45.86	336.43	5.71	-40.15
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C(C)C=C(C)C=C12)C1=N[N-]N=N1	REAL300019732281	0	50	-1.0	-48.05	401.61	7.52	-40.53
CCCC(NC(=O)C1=CC(C2CC2)=NC2=C(C)C=C(C)C=C12)C1=NN=N[N-]1	REAL300019732281	1	50	-1.0	-48.06	401.67	7.54	-40.52
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=N[N-]N=N1	REAL300019732282	0	40	-1.0	-47.84	337.88	3.29	-44.55
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=NN=N[N-]1	REAL300019732282	1	40	-1.0	-47.89	337.94	3.30	-44.59
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL300019732283	0	40	-1.0	-52.95	348.57	-0.41	-53.36
CCCC(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL300019732283	1	40	-1.0	-52.91	348.62	-0.40	-53.31
CCCC(NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019732284	0	46	-1.0	-48.95	380.83	5.58	-43.37
CCCC(NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019732284	1	46	-1.0	-48.93	380.89	5.60	-43.33
CCCC(NC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732285	0	54	-1.0	-48.23	432.29	9.85	-38.38
CCCC(NC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732285	1	54	-1.0	-48.22	432.35	9.87	-38.35
CCCC(NC(=O)C(CC)OC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300019732286	0	42	-1.0	-52.99	346.48	5.43	-47.56
CCCC(NC(=O)C(CC)OC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300019732286	1	42	-1.0	-53.02	346.54	5.45	-47.57
CCCC(NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019732287	0	38	-1.0	-44.70	346.77	5.82	-38.88
CCCC(NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019732287	1	38	-1.0	-44.69	346.83	5.83	-38.86
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019732288	0	39	-1.0	-45.08	332.41	5.71	-39.37
CCCC(NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019732288	1	39	-1.0	-45.08	332.35	5.69	-39.39
CCCC(NC(=O)CCCC1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL300019732289	0	44	-1.0	-47.17	371.51	6.28	-40.89
CCCC(NC(=O)CCCC1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL300019732289	1	44	-1.0	-47.19	371.57	6.31	-40.88
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019732290	0	43	-1.0	-46.82	373.96	0.43	-46.39
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019732290	1	43	-1.0	-46.78	374.02	0.45	-46.33
CCCC(NC(=O)C(C)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019732291	0	44	-1.0	-49.46	360.73	7.10	-42.36
CCCC(NC(=O)C(C)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019732291	1	44	-1.0	-49.47	360.79	7.11	-42.36
CCCC(NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=N[N-]N=N1	REAL300019732292	0	35	-1.0	-45.63	322.27	4.54	-41.09
CCCC(NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=NN=N[N-]1	REAL300019732292	1	35	-1.0	-45.64	322.33	4.55	-41.09
CCCC(NC(=O)C1CC(=O)N(C2=CC(OC)=CC(OC)=C2)C1)C1=N[N-]N=N1	REAL300019732293	0	51	-1.0	-49.21	412.58	3.17	-46.04
CCCC(NC(=O)C1CC(=O)N(C2=CC(OC)=CC(OC)=C2)C1)C1=NN=N[N-]1	REAL300019732293	1	51	-1.0	-49.22	412.63	3.18	-46.04
CCCC(NC(=O)C1=CC=C(OC(C)CC)C=C1)C1=N[N-]N=N1	REAL300019732294	0	45	-1.0	-46.13	364.23	5.30	-40.83
CCCC(NC(=O)C1=CC=C(OC(C)CC)C=C1)C1=NN=N[N-]1	REAL300019732294	1	45	-1.0	-46.15	364.29	5.31	-40.84
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=NN=N[N-]1	REAL300019732295	0	37	-1.0	-46.11	318.83	2.78	-43.33
CCCC(NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=N[N-]N=N1	REAL300019732295	1	37	-1.0	-46.13	318.77	2.76	-43.37
CCCC(NC(=O)C1=CC=NC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL300019732296	0	37	-1.0	-50.14	325.29	2.48	-47.66
CCCC(NC(=O)C1=CC=NC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL300019732296	1	37	-1.0	-50.14	325.23	2.47	-47.67
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=N[N-]N=N1	REAL300019732297	0	42	-2.0	-116.47	370.24	3.86	-112.61
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=NN=N[N-]1	REAL300019732297	1	42	-2.0	-116.41	370.29	3.88	-112.53
CCCC(NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=N[N-]N=N1	REAL300019732298	0	42	-1.0	-57.78	350.33	0.91	-56.87
CCCC(NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=NN=N[N-]1	REAL300019732298	1	42	-1.0	-57.82	350.39	0.93	-56.89
CCCC(NC(=O)CN1C(=O)C=C(O)C=C1C)C1=N[N-]N=N1	REAL300019732299	0	39	-1.0	-62.11	330.33	0.48	-61.63
CCCC(NC(=O)CN1C(=O)C=C(O)C=C1C)C1=NN=N[N-]1	REAL300019732299	1	39	-1.0	-62.03	330.39	0.49	-61.54
CCCC(NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019732300	0	44	-1.0	-55.91	375.55	2.37	-53.54
CCCC(NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019732300	1	44	-1.0	-55.85	375.61	2.38	-53.47
CCCC(NC(=O)CC(C)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL300019732301	0	45	-1.0	-45.90	363.25	4.83	-41.07
CCCC(NC(=O)CC(C)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL300019732301	1	45	-1.0	-45.93	363.31	4.84	-41.09
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300019732302	0	43	-1.0	-47.59	367.57	5.23	-42.36
CCCC(NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300019732302	1	43	-1.0	-47.60	367.63	5.25	-42.35
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=N[N-]N=N1	REAL300019732303	0	43	-1.0	-43.18	387.27	7.12	-36.06
CCCC(NC(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=NN=N[N-]1	REAL300019732303	1	43	-1.0	-43.17	387.33	7.14	-36.03
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CS1)C1=N[N-]N=N1	REAL300019732304	0	37	-1.0	-52.76	344.36	-1.24	-54.00
CCCC(NC(=O)C1=CC(S(=O)(=O)NC)=CS1)C1=NN=N[N-]1	REAL300019732304	1	37	-1.0	-52.74	344.42	-1.23	-53.97
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300019732305	0	40	-1.0	-44.70	351.38	5.69	-39.01
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300019732305	1	40	-1.0	-44.71	351.44	5.70	-39.01
CCCC(NC(=O)C1=C(C)C2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300019732306	0	40	-1.0	-46.52	328.09	4.57	-41.95
CCCC(NC(=O)C1=C(C)C2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300019732306	1	40	-1.0	-46.55	328.15	4.58	-41.97
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL300019732307	0	40	-1.0	-47.40	354.98	-1.38	-48.78
CCCC(NC(=O)C1=C(C)OC(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL300019732307	1	40	-1.0	-47.45	355.04	-1.37	-48.82
CCCC(NC(=O)C1=CC(C)=C(Br)S1)C1=N[N-]N=N1	REAL300019732308	0	32	-1.0	-42.52	307.54	3.96	-38.56
CCCC(NC(=O)C1=CC(C)=C(Br)S1)C1=NN=N[N-]1	REAL300019732308	1	32	-1.0	-42.55	307.60	3.97	-38.58
CCCC(NC(=O)C(F)(F)C1=CC(OC)=CC=C1OC)C1=NN=N[N-]1	REAL300019732309	0	43	-1.0	-45.09	365.30	3.09	-42.00
CCCC(NC(=O)C(F)(F)C1=CC(OC)=CC=C1OC)C1=N[N-]N=N1	REAL300019732309	1	43	-1.0	-45.12	365.25	3.08	-42.04
CCCC(NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=NN=N[N-]1	REAL300019732310	0	44	-1.0	-45.96	378.09	4.52	-41.44
CCCC(NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=N[N-]N=N1	REAL300019732310	1	44	-1.0	-45.97	378.03	4.51	-41.46
CCCC(NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300019732311	0	43	-1.0	-47.77	363.24	0.73	-47.04
CCCC(NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300019732311	1	43	-1.0	-47.80	363.29	0.75	-47.05
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019732312	0	43	-1.0	-45.25	362.43	5.50	-39.75
CCCC(NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019732312	1	43	-1.0	-45.28	362.49	5.51	-39.77
CCCC(NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL300019732313	0	45	-1.0	-46.94	373.60	5.83	-41.11
CCCC(NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL300019732313	1	45	-1.0	-46.95	373.66	5.85	-41.10
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300019732314	0	42	-1.0	-48.15	366.36	5.88	-42.27
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300019732314	1	42	-1.0	-48.11	366.42	5.89	-42.22
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C(OC)=C2)=NN1)C1=N[N-]N=N1	REAL300019732315	0	47	-1.0	-46.93	394.46	2.88	-44.05
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C(OC)=C2)=NN1)C1=NN=N[N-]1	REAL300019732315	1	47	-1.0	-46.94	394.52	2.89	-44.05
CCCC(NC(=O)CCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019732316	0	38	-1.0	-43.93	341.61	5.73	-38.20
CCCC(NC(=O)CCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019732316	1	38	-1.0	-43.93	341.67	5.75	-38.18
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=N[N-]N=N1	REAL300019732317	0	44	-1.0	-52.43	392.56	2.35	-50.08
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=NN=N[N-]1	REAL300019732317	1	44	-1.0	-52.45	392.62	2.37	-50.08
CCCC(NC(=O)C(F)(F)C1=CC(F)=CC=C1OC)C1=NN=N[N-]1	REAL300019732318	0	39	-1.0	-42.17	342.23	3.87	-38.30
CCCC(NC(=O)C(F)(F)C1=CC(F)=CC=C1OC)C1=N[N-]N=N1	REAL300019732318	1	39	-1.0	-42.18	342.17	3.85	-38.33
CCCC(NC(=O)C(CC)OC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019732319	0	42	-1.0	-50.67	356.29	5.91	-44.76
CCCC(NC(=O)C(CC)OC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019732319	1	42	-1.0	-50.69	356.34	5.93	-44.76
CCCC(NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=N[N-]N=N1	REAL300019732320	0	42	-1.0	-51.00	356.64	4.85	-46.15
CCCC(NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=NN=N[N-]1	REAL300019732320	1	42	-1.0	-51.00	356.70	4.86	-46.14
CCCC(NC(=O)C1=C(Br)C=CO1)C1=N[N-]N=N1	REAL300019732321	0	29	-1.0	-45.94	277.17	2.25	-43.69
CCCC(NC(=O)C1=C(Br)C=CO1)C1=NN=N[N-]1	REAL300019732321	1	29	-1.0	-45.95	277.23	2.26	-43.69
CCCC(NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300019732322	0	41	-1.0	-51.03	345.83	5.89	-45.14
CCCC(NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300019732322	1	41	-1.0	-51.07	345.88	5.91	-45.16
CCCC(NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019732323	0	57	-1.0	-48.30	438.95	2.94	-45.36
CCCC(NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019732323	1	57	-1.0	-48.28	439.01	2.95	-45.33
CCCC(NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019732323	1	58	0.0	-68.21	440.87	5.11	-63.10
CCCC(NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300019732324	0	43	-1.0	-50.55	363.32	0.71	-49.84
CCCC(NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300019732324	1	43	-1.0	-50.55	363.37	0.72	-49.83
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL300019732325	0	41	-1.0	-54.61	372.37	2.23	-52.38
CCCC(NC(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL300019732325	1	41	-1.0	-54.65	372.43	2.24	-52.41
CCCC(NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300019732326	0	48	-1.0	-49.37	388.69	5.90	-43.47
CCCC(NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300019732326	1	48	-1.0	-49.39	388.75	5.92	-43.47
CCCC(NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL300019732327	0	41	-1.0	-49.09	356.17	0.61	-48.48
CCCC(NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL300019732327	1	41	-1.0	-49.13	356.12	0.60	-48.53
CCCC(NC(=O)CCC1=NN=C(C(C)C)O1)C1=N[N-]N=N1	REAL300019732328	0	42	-1.0	-45.66	354.73	-0.61	-46.27
CCCC(NC(=O)CCC1=NN=C(C(C)C)O1)C1=NN=N[N-]1	REAL300019732328	1	42	-1.0	-45.68	354.79	-0.60	-46.28
CCCC(NC(=O)C1=CC=C(OCCCOC)C=C1)C1=N[N-]N=N1	REAL300019732329	0	46	-1.0	-48.05	380.73	3.74	-44.31
CCCC(NC(=O)C1=CC=C(OCCCOC)C=C1)C1=NN=N[N-]1	REAL300019732329	1	46	-1.0	-48.06	380.78	3.76	-44.30
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=N[N-]N=N1	REAL300019732330	0	45	-1.0	-49.62	388.71	5.62	-44.00
CCCC(NC(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=NN=N[N-]1	REAL300019732330	1	45	-1.0	-49.64	388.77	5.63	-44.01
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019732331	0	43	-1.0	-48.45	379.70	7.03	-41.42
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019732331	1	43	-1.0	-48.46	379.76	7.04	-41.42
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL300019732332	0	44	-1.0	-51.29	393.70	7.96	-43.33
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL300019732332	1	44	-1.0	-51.29	393.76	7.98	-43.31
CCCC(NC(=O)C1=CC=C(F)C(CSC)=C1)C1=N[N-]N=N1	REAL300019732333	0	39	-1.0	-45.50	345.70	5.54	-39.96
CCCC(NC(=O)C1=CC=C(F)C(CSC)=C1)C1=NN=N[N-]1	REAL300019732333	1	39	-1.0	-45.48	345.76	5.55	-39.93
CCCC(NC(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=NN=N[N-]1	REAL300019732334	0	41	-1.0	-44.53	379.83	5.56	-38.97
CCCC(NC(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=N[N-]N=N1	REAL300019732334	1	41	-1.0	-44.51	379.78	5.54	-38.97
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=NN=N[N-]1	REAL300019732335	0	52	-1.0	-57.26	422.08	3.51	-53.75
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=N[N-]N=N1	REAL300019732335	1	52	-1.0	-57.28	422.03	3.49	-53.79
CCCC(NC(=O)CC(C)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019732336	0	45	-1.0	-46.57	363.24	4.84	-41.73
CCCC(NC(=O)CC(C)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019732336	1	45	-1.0	-46.57	363.30	4.86	-41.71
CCCC(NC(=O)C1=CC=CC(SCC#N)=C1)C1=N[N-]N=N1	REAL300019732337	0	37	-1.0	-54.55	335.30	5.24	-49.31
CCCC(NC(=O)C1=CC=CC(SCC#N)=C1)C1=NN=N[N-]1	REAL300019732337	1	37	-1.0	-54.56	335.36	5.26	-49.30
CCCC(NC(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019732338	0	40	-1.0	-51.18	336.60	5.43	-45.75
CCCC(NC(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732338	1	40	-1.0	-51.18	336.66	5.44	-45.74
CCCC(NC(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019732339	0	37	-1.0	-47.04	334.51	4.59	-42.45
CCCC(NC(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019732339	1	37	-1.0	-47.04	334.45	4.58	-42.46
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019732340	0	45	-1.0	-46.77	354.57	4.78	-41.99
CCCC(NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019732340	1	45	-1.0	-46.72	354.63	4.79	-41.93
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL300019732341	0	39	-1.0	-48.15	350.93	6.42	-41.73
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL300019732341	1	39	-1.0	-48.15	350.87	6.40	-41.75
CCCC(NC(=O)CCCC1=CC=C(C)S1)C1=N[N-]N=N1	REAL300019732342	0	41	-1.0	-46.95	353.93	5.77	-41.18
CCCC(NC(=O)CCCC1=CC=C(C)S1)C1=NN=N[N-]1	REAL300019732342	1	41	-1.0	-46.95	353.98	5.79	-41.16
CCCC(NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=N[N-]N=N1	REAL300019732343	0	44	-1.0	-51.10	370.27	0.66	-50.44
CCCC(NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=NN=N[N-]1	REAL300019732343	1	44	-1.0	-51.12	370.33	0.68	-50.44
CCCC(NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019732344	0	41	-1.0	-52.31	346.03	5.12	-47.19
CCCC(NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019732344	1	41	-1.0	-52.35	346.09	5.14	-47.21
CCCC(NC(=O)C1=CC2=C(C=O)C=CC(OC)=C2O1)C1=N[N-]N=N1	REAL300019732345	0	41	-1.0	-57.55	356.15	3.03	-54.52
CCCC(NC(=O)C1=CC2=C(C=O)C=CC(OC)=C2O1)C1=NN=N[N-]1	REAL300019732345	1	41	-1.0	-57.53	356.20	3.04	-54.49
CCCC(NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019732346	0	39	-1.0	-45.23	345.55	6.13	-39.10
CCCC(NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019732346	1	39	-1.0	-45.22	345.61	6.15	-39.07
CCCC(NC(=O)C1=CC(=O)NC2=C(Br)C=CC=C12)C1=N[N-]N=N1	REAL300019732347	0	38	-1.0	-42.05	339.53	3.42	-38.63
CCCC(NC(=O)C1=CC(=O)NC2=C(Br)C=CC=C12)C1=NN=N[N-]1	REAL300019732347	1	38	-1.0	-42.05	339.59	3.44	-38.61
CCCC(NC(=O)C(C)SC1=CC=NC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019732348	0	44	-1.0	-48.11	390.86	5.98	-42.13
CCCC(NC(=O)C(C)SC1=CC=NC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019732348	1	44	-1.0	-48.06	390.80	5.97	-42.09
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)OC)C(C)=C1)C1=N[N-]N=N1	REAL300019732349	0	48	-1.0	-50.45	404.15	6.11	-44.34
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)OC)C(C)=C1)C1=NN=N[N-]1	REAL300019732349	1	48	-1.0	-50.46	404.21	6.13	-44.33
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300019732350	0	42	-1.0	-48.04	362.26	4.84	-43.20
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300019732350	1	42	-1.0	-48.01	362.20	4.83	-43.18
CCCC(NC(=O)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300019732351	0	44	-1.0	-46.58	376.83	6.54	-40.04
CCCC(NC(=O)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300019732351	1	44	-1.0	-46.57	376.89	6.56	-40.01
CCCC(NC(=O)CCSC1=CC=NC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019732352	0	44	-1.0	-45.15	393.99	6.34	-38.81
CCCC(NC(=O)CCSC1=CC=NC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019732352	1	44	-1.0	-45.16	393.93	6.32	-38.84
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=N[N-]N=N1	REAL300019732353	0	35	-1.0	-47.01	317.54	4.69	-42.32
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=NN=N[N-]1	REAL300019732353	1	35	-1.0	-47.02	317.60	4.71	-42.31
CCCC(NC(=O)C(C)SC1=CC=CC=N1)C1=NN=N[N-]1	REAL300019732354	0	38	-1.0	-48.21	332.53	4.15	-44.06
CCCC(NC(=O)C(C)SC1=CC=CC=N1)C1=N[N-]N=N1	REAL300019732354	1	38	-1.0	-48.17	332.47	4.13	-44.04
CCCC(NC(=O)C=CSCC1=CC=CO1)C1=N[N-]N=N1	REAL300019732355	0	37	-1.0	-46.67	336.65	4.27	-42.40
CCCC(NC(=O)C=CSCC1=CC=CO1)C1=NN=N[N-]1	REAL300019732355	1	37	-1.0	-46.66	336.71	4.30	-42.36
CCCC(NC(=O)CC1=CC=CC(I)=C1)C1=N[N-]N=N1	REAL300019732356	0	35	-1.0	-44.53	326.70	5.39	-39.14
CCCC(NC(=O)CC1=CC=CC(I)=C1)C1=NN=N[N-]1	REAL300019732356	1	35	-1.0	-44.51	326.76	5.40	-39.11
CCCC(NC(=O)CC1=CC=C(OC)C=C1Cl)C1=N[N-]N=N1	REAL300019732357	0	39	-1.0	-45.29	342.65	4.03	-41.26
CCCC(NC(=O)CC1=CC=C(OC)C=C1Cl)C1=NN=N[N-]1	REAL300019732357	1	39	-1.0	-45.30	342.70	4.04	-41.26
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1Br)C1=N[N-]N=N1	REAL300019732358	0	34	-1.0	-43.86	320.02	4.81	-39.05
CCCC(NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1Br)C1=NN=N[N-]1	REAL300019732358	1	34	-1.0	-43.85	320.08	4.82	-39.03
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(F)=C1)C1=N[N-]N=N1	REAL300019732359	0	44	-1.0	-46.30	376.13	4.32	-41.98
CCCC(NC(=O)CCC(=O)C1=CC=C(OC)C(F)=C1)C1=NN=N[N-]1	REAL300019732359	1	44	-1.0	-46.31	376.19	4.34	-41.97
CCCC(NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300019732360	0	41	-1.0	-44.06	359.82	6.29	-37.77
CCCC(NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300019732360	1	41	-1.0	-44.08	359.88	6.30	-37.78
CCCC(NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300019732361	0	40	-1.0	-57.64	358.96	-1.37	-59.01
CCCC(NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300019732361	1	40	-1.0	-57.62	359.02	-1.35	-58.97
CCCC(NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=NN=N[N-]1	REAL300019732362	0	49	-1.0	-47.99	395.14	5.67	-42.32
CCCC(NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=N[N-]N=N1	REAL300019732362	1	49	-1.0	-47.95	395.08	5.66	-42.29
CCCC(NC(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732363	0	52	-1.0	-51.98	435.31	4.59	-47.39
CCCC(NC(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732363	1	52	-1.0	-51.91	435.37	4.60	-47.31
CCCC(NC(=O)C1=CC=C(C(=O)CC)C=C1)C1=N[N-]N=N1	REAL300019732364	0	40	-1.0	-49.86	337.33	4.91	-44.95
CCCC(NC(=O)C1=CC=C(C(=O)CC)C=C1)C1=NN=N[N-]1	REAL300019732364	1	40	-1.0	-49.84	337.39	4.92	-44.92
CCCC(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732365	0	54	-1.0	-55.52	415.29	5.60	-49.92
CCCC(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732365	1	54	-1.0	-55.48	415.35	5.62	-49.86
CCCC(NC(=O)COCC=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732366	0	43	-1.0	-50.33	364.53	5.96	-44.37
CCCC(NC(=O)COCC=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732366	1	43	-1.0	-50.34	364.59	5.97	-44.37
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300019732367	0	44	-1.0	-49.36	392.02	1.06	-48.30
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300019732367	1	44	-1.0	-49.37	392.08	1.08	-48.29
CCCC(NC(=O)CC(C)C1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019732368	0	61	-1.0	-50.81	456.61	6.37	-44.44
CCCC(NC(=O)CC(C)C1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019732368	1	61	-1.0	-50.84	456.67	6.38	-44.46
CCCC(NC(=O)C1=CC=C(F)C(I)=C1)C1=N[N-]N=N1	REAL300019732369	0	32	-1.0	-41.67	307.58	4.76	-36.91
CCCC(NC(=O)C1=CC=C(F)C(I)=C1)C1=NN=N[N-]1	REAL300019732369	1	32	-1.0	-41.67	307.64	4.78	-36.89
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300019732370	0	38	-1.0	-52.13	336.82	3.33	-48.80
CCCC(NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300019732370	1	38	-1.0	-52.10	336.88	3.34	-48.76
CCCC(NC(=O)C(C)CC1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL300019732371	0	41	-1.0	-44.86	362.69	6.23	-38.63
CCCC(NC(=O)C(C)CC1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL300019732371	1	41	-1.0	-44.87	362.75	6.24	-38.63
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=N[N-]N=N1	REAL300019732372	0	37	-1.0	-53.00	333.51	-2.61	-55.61
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=NN=N[N-]1	REAL300019732372	1	37	-1.0	-53.04	333.57	-2.59	-55.63
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=NN=N[N-]1	REAL300019732373	0	40	-1.0	-56.42	357.09	-0.88	-57.30
CCCC(NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=N[N-]N=N1	REAL300019732373	1	40	-1.0	-56.40	357.03	-0.90	-57.30
CCCC(NC(=O)C1=CC=C(C(C)CC)C=C1)C1=N[N-]N=N1	REAL300019732374	0	44	-1.0	-46.35	352.90	6.18	-40.17
CCCC(NC(=O)C1=CC=C(C(C)CC)C=C1)C1=NN=N[N-]1	REAL300019732374	1	44	-1.0	-46.33	352.95	6.20	-40.13
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL300019732375	0	37	-1.0	-48.87	344.80	5.45	-43.42
CCCC(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL300019732375	1	37	-1.0	-48.92	344.85	5.46	-43.46
CCCC(NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019732376	0	40	-1.0	-51.09	348.54	5.77	-45.32
CCCC(NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732376	1	40	-1.0	-51.14	348.59	5.79	-45.35
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019732377	0	41	-1.0	-46.03	364.79	5.26	-40.77
CCCC(NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019732377	1	41	-1.0	-46.07	364.85	5.28	-40.79
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=N[N-]N=N1	REAL300019732378	0	42	-1.0	-46.83	371.11	6.98	-39.85
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=NN=N[N-]1	REAL300019732378	1	42	-1.0	-46.83	371.17	6.99	-39.84
CCCC(NC(=O)C1=CC=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300019732379	0	41	-1.0	-45.72	346.89	5.24	-40.48
CCCC(NC(=O)C1=CC=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300019732379	1	41	-1.0	-45.68	346.95	5.26	-40.42
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL300019732380	0	46	-1.0	-49.82	402.25	6.94	-42.88
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL300019732380	1	46	-1.0	-49.82	402.19	6.93	-42.89
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300019732381	0	43	-1.0	-44.79	360.22	5.59	-39.20
CCCC(NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300019732381	1	43	-1.0	-44.79	360.16	5.58	-39.21
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=N[N-]N=N1	REAL300019732382	0	42	-1.0	-50.03	372.79	3.84	-46.19
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=NN=N[N-]1	REAL300019732382	1	42	-1.0	-50.02	372.85	3.85	-46.17
CCCC(NC(=O)C1=CC(C)=CC=C1Br)C1=N[N-]N=N1	REAL300019732383	0	35	-1.0	-47.25	311.97	4.91	-42.34
CCCC(NC(=O)C1=CC(C)=CC=C1Br)C1=NN=N[N-]1	REAL300019732383	1	35	-1.0	-47.26	312.02	4.93	-42.33
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300019732384	0	38	-1.0	-47.54	357.22	2.07	-45.47
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300019732384	1	38	-1.0	-47.51	357.28	2.08	-45.43
CCCC(NC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL300019732385	0	37	-1.0	-43.33	362.72	5.14	-38.19
CCCC(NC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL300019732385	1	37	-1.0	-43.31	362.77	5.15	-38.16
CCCC(NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300019732386	0	43	-1.0	-46.82	374.26	6.27	-40.55
CCCC(NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300019732386	1	43	-1.0	-46.80	374.32	6.29	-40.51
CCCC(NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732387	0	35	-1.0	-42.40	319.74	4.69	-37.71
CCCC(NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732387	1	35	-1.0	-42.40	319.80	4.71	-37.69
CCCC(NC(=O)CCCC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300019732388	0	44	-1.0	-48.80	378.17	7.23	-41.57
CCCC(NC(=O)CCCC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300019732388	1	44	-1.0	-48.78	378.23	7.26	-41.52
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=NN=N[N-]1	REAL300019732389	0	42	-1.0	-43.82	371.25	5.44	-38.38
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=N[N-]N=N1	REAL300019732389	1	42	-1.0	-43.87	371.19	5.43	-38.44
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300019732390	0	48	-1.0	-48.83	391.77	6.11	-42.72
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300019732390	1	48	-1.0	-48.86	391.83	6.13	-42.73
CCCC(NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL300019732391	0	38	-1.0	-45.47	364.22	5.98	-39.49
CCCC(NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL300019732391	1	38	-1.0	-45.45	364.28	6.01	-39.44
CCCC(NC(=O)C1=CC(I)=CC(C)=C1C)C1=N[N-]N=N1	REAL300019732392	0	38	-1.0	-43.41	335.00	5.93	-37.48
CCCC(NC(=O)C1=CC(I)=CC(C)=C1C)C1=NN=N[N-]1	REAL300019732392	1	38	-1.0	-43.41	335.06	5.93	-37.48
CCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019732393	0	48	-2.0	-119.63	402.68	4.76	-114.87
CCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019732393	1	48	-2.0	-119.60	402.74	4.78	-114.82
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732394	0	36	-1.0	-45.78	320.27	3.43	-42.35
CCCC(NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732394	1	36	-1.0	-45.76	320.33	3.44	-42.32
CCCC(NC(=O)C1=CC(I)=CC=C1C)C1=N[N-]N=N1	REAL300019732395	0	35	-1.0	-43.47	318.15	5.40	-38.07
CCCC(NC(=O)C1=CC(I)=CC=C1C)C1=NN=N[N-]1	REAL300019732395	1	35	-1.0	-43.41	318.21	5.41	-38.00
CCCC(NC(=O)CCSC1=CC=CC=N1)C1=NN=N[N-]1	REAL300019732396	0	38	-1.0	-49.57	337.26	3.99	-45.58
CCCC(NC(=O)CCSC1=CC=CC=N1)C1=N[N-]N=N1	REAL300019732396	1	38	-1.0	-49.59	337.20	3.98	-45.61
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019732397	0	43	-1.0	-52.14	376.65	-1.60	-53.74
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019732397	1	43	-1.0	-52.13	376.59	-1.62	-53.75
CCCC(NC(=O)C1=CC(NC(=O)OC)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732398	0	43	-1.0	-47.28	380.52	2.85	-44.43
CCCC(NC(=O)C1=CC(NC(=O)OC)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732398	1	43	-1.0	-47.30	380.58	2.87	-44.43
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL300019732399	0	32	-1.0	-41.71	310.38	4.69	-37.02
CCCC(NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL300019732399	1	32	-1.0	-41.73	310.44	4.71	-37.02
CCCC(NC(=O)C1=CC=NC=C1Br)C1=NN=N[N-]1	REAL300019732400	0	31	-1.0	-44.89	286.01	2.49	-42.40
CCCC(NC(=O)C1=CC=NC=C1Br)C1=N[N-]N=N1	REAL300019732400	1	31	-1.0	-44.88	285.95	2.47	-42.41
CCCC(NC(=O)C1=CC(OC)=C(S(N)(=O)=O)S1)C1=N[N-]N=N1	REAL300019732401	0	38	-1.0	-49.73	351.05	-3.01	-52.74
CCCC(NC(=O)C1=CC(OC)=C(S(N)(=O)=O)S1)C1=NN=N[N-]1	REAL300019732401	1	38	-1.0	-49.74	351.11	-2.99	-52.73
CCCC(NC(=O)C1=CC2=CC(OC)=CC=C2OC1)C1=N[N-]N=N1	REAL300019732402	0	42	-1.0	-48.23	349.67	3.40	-44.83
CCCC(NC(=O)C1=CC2=CC(OC)=CC=C2OC1)C1=NN=N[N-]1	REAL300019732402	1	42	-1.0	-48.26	349.72	3.42	-44.84
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=N[N-]N=N1	REAL300019732403	0	39	-1.0	-46.55	340.24	3.80	-42.75
CCCC(NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=NN=N[N-]1	REAL300019732403	1	39	-1.0	-46.59	340.30	3.81	-42.78
CCCC(NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL300019732404	0	42	-1.0	-42.31	349.89	3.56	-38.75
CCCC(NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL300019732404	1	42	-1.0	-42.34	349.94	3.58	-38.76
CCCC(NC(=O)C1=NN(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL300019732405	0	42	-1.0	-48.88	342.74	4.07	-44.81
CCCC(NC(=O)C1=NN(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL300019732405	1	42	-1.0	-48.88	342.68	4.05	-44.83
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019732406	0	44	-1.0	-47.76	380.33	2.93	-44.83
CCCC(NC(=O)C(C)CS(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019732406	1	44	-1.0	-47.77	380.38	2.96	-44.81
CCCC(NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019732407	0	42	-1.0	-44.10	362.93	6.21	-37.89
CCCC(NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019732407	1	42	-1.0	-44.10	362.99	6.23	-37.87
CCCC(NC(=O)CC1=C(CC)ON=C1CC)C1=N[N-]N=N1	REAL300019732408	0	43	-1.0	-49.51	357.90	4.58	-44.93
CCCC(NC(=O)CC1=C(CC)ON=C1CC)C1=NN=N[N-]1	REAL300019732408	1	43	-1.0	-49.53	357.96	4.60	-44.93
CCCC(NC(=O)C1=CC2=C(S1)N(C1=CC=CC=C1C)N=C2C)C1=NN=N[N-]1	REAL300019732409	0	48	-1.0	-47.70	407.36	7.59	-40.11
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019732410	0	42	-1.0	-47.11	363.43	3.16	-43.95
CCCC(NC(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019732410	1	42	-1.0	-47.11	363.49	3.19	-43.92
CCCC(NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300019732411	0	45	-1.0	-47.38	374.67	6.88	-40.50
CCCC(NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300019732411	1	45	-1.0	-47.38	374.73	6.89	-40.49
CCCC(NC(=O)CCC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL300019732412	0	43	-1.0	-46.64	356.21	4.95	-41.69
CCCC(NC(=O)CCC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL300019732412	1	43	-1.0	-46.65	356.27	4.96	-41.69
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019732413	0	53	-1.0	-48.30	423.87	4.00	-44.30
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019732413	1	53	-1.0	-48.31	423.93	4.02	-44.29
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019732414	0	54	-1.0	-45.81	426.17	4.56	-41.25
CCCC(NC(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019732414	1	54	-1.0	-45.78	426.23	4.57	-41.21
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300019732415	0	47	-1.0	-54.96	405.73	-2.55	-57.51
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300019732415	1	47	-1.0	-55.00	405.79	-2.54	-57.54
CCCC(NC(=O)C1=CC=NN1C1CCCC1)C1=NN=N[N-]1	REAL300019732416	0	42	-1.0	-44.97	339.41	4.27	-40.70
CCCC(NC(=O)C1=CC=NN1C1CCCC1)C1=N[N-]N=N1	REAL300019732416	1	42	-1.0	-45.02	339.35	4.26	-40.76
CCCC(NC(=O)CCC(=O)N1CCN(C2=NC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019732417	0	52	-1.0	-49.42	420.27	4.25	-45.17
CCCC(NC(=O)CCC(=O)N1CCN(C2=NC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019732417	1	52	-1.0	-49.44	420.21	4.23	-45.21
CCCC(NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL300019732418	0	38	-1.0	-51.73	333.77	2.36	-49.37
CCCC(NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL300019732418	1	38	-1.0	-51.74	333.71	2.35	-49.39
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=N[N-]N=N1	REAL300019732419	0	43	-1.0	-50.72	369.56	0.25	-50.47
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=NN=N[N-]1	REAL300019732419	1	43	-1.0	-50.75	369.62	0.27	-50.48
CCCC(NC(=O)C1=CC=C(C2=NNC(CC)=N2)C=C1)C1=N[N-]N=N1	REAL300019732420	0	44	-1.0	-50.04	372.77	4.98	-45.06
CCCC(NC(=O)C1=CC=C(C2=NNC(CC)=N2)C=C1)C1=NN=N[N-]1	REAL300019732420	1	44	-1.0	-50.02	372.83	5.00	-45.02
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019732421	0	34	-1.0	-43.69	323.78	4.91	-38.78
CCCC(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732421	1	34	-1.0	-43.71	323.84	4.92	-38.79
CCCC(NC(=O)C#CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019732422	0	37	-1.0	-47.58	332.15	3.66	-43.92
CCCC(NC(=O)C#CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019732422	1	37	-1.0	-47.57	332.20	3.68	-43.89
CCCC(NC(=O)C=CC1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL300019732423	0	40	-1.0	-49.21	341.64	2.13	-47.08
CCCC(NC(=O)C=CC1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL300019732423	1	40	-1.0	-49.21	341.70	2.15	-47.06
CCCC(NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=NN=N[N-]1	REAL300019732424	0	44	-1.0	-46.73	365.13	5.93	-40.80
CCCC(NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=N[N-]N=N1	REAL300019732424	1	44	-1.0	-46.71	365.07	5.92	-40.79
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2)=C1)C1=NN=N[N-]1	REAL300019732425	0	45	-1.0	-47.06	373.18	4.55	-42.51
CCCC(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2)=C1)C1=N[N-]N=N1	REAL300019732425	1	45	-1.0	-47.08	373.12	4.54	-42.54
CCCC(NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732426	0	42	-1.0	-47.74	369.85	4.99	-42.75
CCCC(NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732426	1	42	-1.0	-47.78	369.91	5.00	-42.78
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732427	0	35	-1.0	-44.45	329.71	5.10	-39.35
CCCC(NC(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732427	1	35	-1.0	-44.43	329.77	5.12	-39.31
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019732428	0	41	-1.0	-46.63	343.73	5.26	-41.37
CCCC(NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019732428	1	41	-1.0	-46.66	343.67	5.24	-41.42
CCCC(NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019732429	0	41	-1.0	-45.59	360.45	5.78	-39.81
CCCC(NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019732429	1	41	-1.0	-45.63	360.39	5.76	-39.87
CCCC(NC(=O)C(CC)CC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019732430	0	44	-1.0	-47.95	368.67	6.52	-41.43
CCCC(NC(=O)C(CC)CC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019732430	1	44	-1.0	-48.01	368.73	6.54	-41.47
CCCC(NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=NN=N[N-]1	REAL300019732431	0	46	-1.0	-48.08	379.66	5.11	-42.97
CCCC(NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=N[N-]N=N1	REAL300019732431	1	46	-1.0	-48.09	379.60	5.10	-42.99
CCCC(NC(=O)C1=CC=NN1C(CC)CC)C1=NN=N[N-]1	REAL300019732432	0	44	-1.0	-44.14	354.78	4.45	-39.69
CCCC(NC(=O)C1=CC=NN1C(CC)CC)C1=N[N-]N=N1	REAL300019732432	1	44	-1.0	-44.13	354.72	4.43	-39.70
CCCC(NC(=O)CC1=CC(OC)=CC=C1Br)C1=N[N-]N=N1	REAL300019732433	0	39	-1.0	-47.78	346.10	4.07	-43.71
CCCC(NC(=O)CC1=CC(OC)=CC=C1Br)C1=NN=N[N-]1	REAL300019732433	1	39	-1.0	-47.82	346.15	4.08	-43.74
CCCOC1=CC=CC(CC(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL300019732434	0	45	-1.0	-47.10	371.78	5.32	-41.78
CCCOC1=CC=CC(CC(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL300019732434	1	45	-1.0	-47.10	371.84	5.34	-41.76
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019732435	0	42	-1.0	-46.13	380.13	4.65	-41.48
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300019732435	1	42	-1.0	-46.13	380.08	4.63	-41.50
CCCC(NC(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=N[N-]N=N1	REAL300019732436	0	51	-1.0	-46.22	410.75	8.70	-37.52
CCCC(NC(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=NN=N[N-]1	REAL300019732436	1	51	-1.0	-46.24	410.81	8.72	-37.52
CCCC(NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732437	0	39	-1.0	-51.78	345.20	4.31	-47.47
CCCC(NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732437	1	39	-1.0	-51.78	345.26	4.33	-47.45
CCCC(NC(=O)CNS(=O)(=O)CCCOC)C1=N[N-]N=N1	REAL300019732438	0	43	-1.0	-57.08	372.04	-2.43	-59.51
CCCC(NC(=O)CNS(=O)(=O)CCCOC)C1=NN=N[N-]1	REAL300019732438	1	43	-1.0	-57.10	372.10	-2.42	-59.52
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=N[N-]N=N1	REAL300019732439	0	35	-1.0	-43.85	329.26	5.24	-38.61
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=NN=N[N-]1	REAL300019732439	1	35	-1.0	-43.87	329.32	5.25	-38.62
CCCC(NC(=O)C1=NN(C(CC)CC)C=C1)C1=NN=N[N-]1	REAL300019732440	0	44	-1.0	-49.51	357.10	4.14	-45.37
CCCC(NC(=O)C1=NN(C(CC)CC)C=C1)C1=N[N-]N=N1	REAL300019732440	1	44	-1.0	-49.48	357.04	4.13	-45.35
CCCC(NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300019732441	0	46	-1.0	-55.83	393.83	4.59	-51.24
CCCC(NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300019732441	1	46	-1.0	-55.84	393.89	4.60	-51.24
CCCC(NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL300019732442	0	43	-1.0	-54.31	374.46	6.05	-48.26
CCCC(NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL300019732442	1	43	-1.0	-54.34	374.51	6.06	-48.28
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL300019732443	0	44	-1.0	-46.52	365.14	5.92	-40.60
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL300019732443	1	44	-1.0	-46.52	365.08	5.91	-40.61
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(F)=C1)C1=N[N-]N=N1	REAL300019732444	0	38	-1.0	-45.04	333.58	4.32	-40.72
CCCC(NC(=O)C1=CC=C(C(=O)OC)C(F)=C1)C1=NN=N[N-]1	REAL300019732444	1	38	-1.0	-45.02	333.64	4.33	-40.69
CCCC(NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=N[N-]N=N1	REAL300019732445	0	44	-1.0	-47.91	368.74	0.35	-47.56
CCCC(NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=NN=N[N-]1	REAL300019732445	1	44	-1.0	-47.92	368.80	0.36	-47.56
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=N[N-]N=N1	REAL300019732446	0	43	-1.0	-47.15	357.56	3.13	-44.02
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=NN=N[N-]1	REAL300019732446	1	43	-1.0	-47.15	357.61	3.14	-44.01
CCCC(NC(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=N[N-]N=N1	REAL300019732447	0	53	-1.0	-54.15	408.80	3.82	-50.33
CCCC(NC(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=NN=N[N-]1	REAL300019732447	1	53	-1.0	-54.20	408.86	3.84	-50.36
CCCC(NC(=O)C1=CC=NC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300019732448	0	41	-1.0	-47.23	343.73	2.22	-45.01
CCCC(NC(=O)C1=CC=NC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300019732448	1	41	-1.0	-47.28	343.67	2.21	-45.07
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300019732449	0	39	-1.0	-46.97	346.95	3.72	-43.25
CCCC(NC(=O)CSC1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300019732449	1	39	-1.0	-46.98	346.89	3.70	-43.28
CCCC(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019732450	0	34	-2.0	-85.29	309.94	2.18	-83.11
CCCC(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732450	1	34	-2.0	-85.23	309.99	2.19	-83.04
CCCC(NC(=O)C1=CC(O)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019732450	1	35	-1.0	-48.57	313.50	1.43	-47.14
CCCC(NC(=O)C1=CC(O)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732450	1	35	-1.0	-48.52	313.56	1.44	-47.08
CCCC(NC(=O)C1=NC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL300019732451	0	32	-1.0	-44.19	304.95	2.82	-41.37
CCCC(NC(=O)C1=NC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL300019732451	1	32	-1.0	-44.16	304.89	2.81	-41.35
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=NN=N[N-]1	REAL300019732452	0	43	-1.0	-54.98	373.86	5.20	-49.78
CCCC(NC(=O)COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=N[N-]N=N1	REAL300019732452	1	43	-1.0	-55.04	373.81	5.19	-49.85
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300019732453	0	48	-2.0	-97.41	413.92	2.36	-95.05
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=NN=N[N-]1	REAL300019732453	1	48	-2.0	-97.36	413.98	2.37	-94.99
CCCC(NC(=O)CCC(=O)NC1=NN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300019732453	1	49	-1.0	-51.46	418.52	3.62	-47.84
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=N1)C1=NN=N[N-]1	REAL300019732454	0	38	-1.0	-45.62	330.45	0.23	-45.39
CCCC(NC(=O)C1=CC=CC(C(=O)NC)=N1)C1=N[N-]N=N1	REAL300019732454	1	38	-1.0	-45.56	330.39	0.21	-45.35
CCCC(NC(=O)CC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300019732455	0	38	-1.0	-48.53	334.56	5.40	-43.13
CCCC(NC(=O)CC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300019732455	1	38	-1.0	-48.55	334.62	5.41	-43.14
CCCC(NC(=O)C1=CC(I)=CC=C1F)C1=N[N-]N=N1	REAL300019732456	0	32	-1.0	-46.88	306.62	4.79	-42.09
CCCC(NC(=O)C1=CC(I)=CC=C1F)C1=NN=N[N-]1	REAL300019732456	1	32	-1.0	-46.84	306.68	4.81	-42.03
CCCC(NC(=O)C1=CC=NC(Br)=C1)C1=NN=N[N-]1	REAL300019732457	0	31	-1.0	-44.77	291.01	2.36	-42.41
CCCC(NC(=O)C1=CC=NC(Br)=C1)C1=N[N-]N=N1	REAL300019732457	1	31	-1.0	-44.79	290.95	2.35	-42.44
CCCC(NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=NN=N[N-]1	REAL300019732458	0	41	-1.0	-47.69	363.30	3.87	-43.82
CCCC(NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=N[N-]N=N1	REAL300019732458	1	41	-1.0	-47.68	363.24	3.85	-43.83
CCCC(NC(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=N[N-]N=N1	REAL300019732459	0	45	-1.0	-48.19	402.93	8.39	-39.80
CCCC(NC(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NN=N[N-]1	REAL300019732459	1	45	-1.0	-48.17	402.99	8.40	-39.77
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300019732460	0	39	-1.0	-51.00	342.90	3.04	-47.96
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300019732460	1	39	-1.0	-51.00	342.96	3.05	-47.95
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=N[N-]N=N1	REAL300019732461	0	39	-1.0	-55.45	343.07	3.04	-52.41
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=NN=N[N-]1	REAL300019732461	1	39	-1.0	-55.48	343.13	3.05	-52.43
CCCC(NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=N[N-]N=N1	REAL300019732462	0	40	-1.0	-51.99	338.58	2.90	-49.09
CCCC(NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=NN=N[N-]1	REAL300019732462	1	40	-1.0	-52.00	338.64	2.91	-49.09
CCCC(NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=N[N-]N=N1	REAL300019732463	0	46	-1.0	-44.48	377.24	2.98	-41.50
CCCC(NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=NN=N[N-]1	REAL300019732463	1	46	-1.0	-44.46	377.29	2.99	-41.47
CCCC(NC(=O)CSC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300019732464	0	37	-1.0	-47.21	328.45	1.90	-45.31
CCCC(NC(=O)CSC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300019732464	1	37	-1.0	-47.19	328.51	1.92	-45.27
CCCC(NC(=O)CC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300019732465	0	35	-1.0	-43.28	319.56	4.80	-38.48
CCCC(NC(=O)CC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300019732465	1	35	-1.0	-43.24	319.62	4.81	-38.43
CCCC(NC(=O)CNS(=O)(=O)CCOCC)C1=N[N-]N=N1	REAL300019732466	0	43	-1.0	-53.59	372.39	-2.26	-55.85
CCCC(NC(=O)CNS(=O)(=O)CCOCC)C1=NN=N[N-]1	REAL300019732466	1	43	-1.0	-53.59	372.45	-2.24	-55.83
CCCC(NC(=O)CC1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300019732467	0	35	-1.0	-47.27	317.05	4.45	-42.82
CCCC(NC(=O)CC1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300019732467	1	35	-1.0	-47.27	317.10	4.47	-42.80
CCCC(NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300019732468	0	38	-1.0	-43.68	339.39	4.73	-38.95
CCCC(NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019732468	1	38	-1.0	-43.75	339.33	4.72	-39.03
CCCC(NC(=O)COC1=CC=C(OC)C(C)=C1)C1=N[N-]N=N1	REAL300019732469	0	43	-1.0	-49.73	357.40	4.22	-45.51
CCCC(NC(=O)COC1=CC=C(OC)C(C)=C1)C1=NN=N[N-]1	REAL300019732469	1	43	-1.0	-49.71	357.46	4.24	-45.47
CCCC(NC(=O)C(CC)OC1CCCCC1)C1=N[N-]N=N1	REAL300019732470	0	48	-1.0	-47.82	375.05	5.85	-41.97
CCCC(NC(=O)C(CC)OC1CCCCC1)C1=NN=N[N-]1	REAL300019732470	1	48	-1.0	-47.82	375.10	5.87	-41.95
CCCC(NC(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=NN=N[N-]1	REAL300019732471	0	42	-1.0	-58.98	374.10	5.83	-53.15
CCCC(NC(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=N[N-]N=N1	REAL300019732471	1	42	-1.0	-59.02	374.05	5.81	-53.21
CCCC(NC(=O)CCCC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019732472	0	41	-1.0	-46.46	363.11	6.50	-39.96
CCCC(NC(=O)CCCC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019732472	1	41	-1.0	-46.46	363.17	6.51	-39.95
CCCC(NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019732473	0	41	-1.0	-47.22	365.68	-3.18	-50.40
CCCC(NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019732473	1	41	-1.0	-47.25	365.74	-3.15	-50.40
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732474	0	52	-1.0	-51.18	424.14	6.74	-44.44
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732474	1	52	-1.0	-51.12	424.20	6.75	-44.37
CCCC(NC(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019732475	0	56	-1.0	-52.03	438.45	4.97	-47.06
CCCC(NC(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019732475	1	56	-1.0	-52.03	438.51	4.99	-47.04
CCCC(NC(=O)CSC1=NC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019732476	0	41	-1.0	-48.57	358.89	5.41	-43.16
CCCC(NC(=O)CSC1=NC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019732476	1	41	-1.0	-48.56	358.84	5.40	-43.16
CCCC(NC(=O)CSC1=NNC(C2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL300019732477	0	45	-1.0	-49.88	396.90	5.48	-44.40
CCCC(NC(=O)CSC1=NNC(C2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL300019732477	1	45	-1.0	-49.92	396.96	5.49	-44.43
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300019732478	0	45	-2.0	-97.15	396.31	1.72	-95.43
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300019732478	1	45	-2.0	-97.11	396.36	1.73	-95.38
CCCC(NC(=O)CCC(=O)NC1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300019732478	1	46	-1.0	-51.65	399.60	2.84	-48.81
CCCC(NC(=O)C=CC1=NN=C(C(C)C)O1)C1=N[N-]N=N1	REAL300019732479	0	40	-1.0	-45.43	346.27	-0.72	-46.15
CCCC(NC(=O)C=CC1=NN=C(C(C)C)O1)C1=NN=N[N-]1	REAL300019732479	1	40	-1.0	-45.41	346.33	-0.70	-46.11
CCCC(NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019732480	0	50	-1.0	-46.10	398.39	5.28	-40.82
CCCC(NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019732480	1	50	-1.0	-46.08	398.45	5.30	-40.78
CCCC(NC(=O)C1=C(Br)SC(C)=C1)C1=N[N-]N=N1	REAL300019732481	0	32	-1.0	-46.11	305.12	4.07	-42.04
CCCC(NC(=O)C1=C(Br)SC(C)=C1)C1=NN=N[N-]1	REAL300019732481	1	32	-1.0	-46.12	305.18	4.08	-42.04
CCCC(NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300019732482	0	36	-1.0	-43.57	341.95	5.61	-37.96
CCCC(NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300019732482	1	36	-1.0	-43.60	342.01	5.62	-37.98
CCCC(NC(=O)C1=CC=C2SC=CC2=C1)C1=N[N-]N=N1	REAL300019732483	0	35	-1.0	-46.32	311.15	4.99	-41.33
CCCC(NC(=O)C1=CC=C2SC=CC2=C1)C1=NN=N[N-]1	REAL300019732483	1	35	-1.0	-46.34	311.21	5.00	-41.34
CCCC(NC(=O)C(C)OC1CCCCCC1)C1=N[N-]N=N1	REAL300019732484	0	48	-1.0	-48.78	366.09	5.46	-43.32
CCCC(NC(=O)C(C)OC1CCCCCC1)C1=NN=N[N-]1	REAL300019732484	1	48	-1.0	-48.78	366.15	5.47	-43.31
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732485	0	42	-1.0	-50.44	369.08	3.53	-46.91
CCCC(NC(=O)C1=CC(NC(C)=O)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732485	1	42	-1.0	-50.45	369.14	3.55	-46.90
CCCC(NC(=O)C1=CC=CC(I)=C1C)C1=N[N-]N=N1	REAL300019732486	0	35	-1.0	-44.61	314.05	5.26	-39.35
CCCC(NC(=O)C1=CC=CC(I)=C1C)C1=NN=N[N-]1	REAL300019732486	1	35	-1.0	-44.59	314.10	5.28	-39.31
CCCC(NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=N[N-]N=N1	REAL300019732487	0	46	-1.0	-45.50	377.80	0.67	-44.83
CCCC(NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=NN=N[N-]1	REAL300019732487	1	46	-1.0	-45.50	377.86	0.68	-44.82
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300019732488	0	45	-1.0	-50.75	387.73	5.92	-44.83
CCCC(NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300019732488	1	45	-1.0	-50.74	387.78	5.93	-44.81
CCCC(NC(=O)CCCC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019732489	0	41	-1.0	-46.74	358.01	6.32	-40.42
CCCC(NC(=O)CCCC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019732489	1	41	-1.0	-46.73	358.07	6.34	-40.39
CCCC(NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732490	0	51	-1.0	-47.03	401.70	2.59	-44.44
CCCC(NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732490	1	51	-1.0	-46.99	401.75	2.61	-44.38
CCCC(NC(=O)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019732491	0	61	-1.0	-51.00	456.24	6.37	-44.63
CCCC(NC(=O)CC(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019732491	1	61	-1.0	-51.00	456.30	6.39	-44.61
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300019732492	0	44	-1.0	-55.71	390.13	0.98	-54.73
CCCC(NC(=O)C(C)NS(=O)(=O)C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300019732492	1	44	-1.0	-55.72	390.18	0.99	-54.73
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C#N)C=C2C)C=C1)C1=N[N-]N=N1	REAL300019732493	0	47	-1.0	-47.88	403.23	7.52	-40.36
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C#N)C=C2C)C=C1)C1=NN=N[N-]1	REAL300019732493	1	47	-1.0	-47.90	403.28	7.53	-40.37
CCCC(NC(=O)CC1=C(OC)C=CC=C1OC)C1=N[N-]N=N1	REAL300019732494	0	43	-1.0	-50.60	355.24	3.03	-47.57
CCCC(NC(=O)CC1=C(OC)C=CC=C1OC)C1=NN=N[N-]1	REAL300019732494	1	43	-1.0	-50.64	355.29	3.06	-47.58
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019732495	0	42	-1.0	-59.82	356.97	5.46	-54.36
CCCC(NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019732495	1	42	-1.0	-59.82	357.02	5.48	-54.34
CCCC(NC(=O)C1=CC=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL300019732496	0	32	-1.0	-44.23	307.28	4.76	-39.47
CCCC(NC(=O)C1=CC=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL300019732496	1	32	-1.0	-44.24	307.34	4.77	-39.47
CCCC(NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019732497	0	47	-1.0	-46.71	375.12	6.62	-40.09
CCCC(NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019732497	1	47	-1.0	-46.71	375.18	6.63	-40.08
CCCC(NC(=O)C1=CN=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300019732498	0	41	-1.0	-44.17	338.86	2.70	-41.47
CCCC(NC(=O)C1=CN=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300019732498	1	41	-1.0	-44.21	338.81	2.69	-41.52
CCCC(NC(=O)COC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300019732499	0	42	-1.0	-51.72	356.67	3.17	-48.55
CCCC(NC(=O)COC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300019732499	1	42	-1.0	-51.73	356.73	3.19	-48.54
CCCC(NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=N[N-]N=N1	REAL300019732500	0	37	-1.0	-46.42	327.24	4.82	-41.60
CCCC(NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=NN=N[N-]1	REAL300019732500	1	37	-1.0	-46.36	327.30	4.84	-41.52
CCCC(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019732501	0	45	-1.0	-47.20	364.54	-2.16	-49.36
CCCC(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019732501	1	45	-1.0	-47.21	364.59	-2.15	-49.36
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=N[N-]N=N1	REAL300019732502	0	38	-1.0	-48.04	330.27	2.99	-45.05
CCCC(NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=NN=N[N-]1	REAL300019732502	1	38	-1.0	-48.01	330.32	3.00	-45.01
CCCC(NC(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL300019732503	0	44	-1.0	-54.42	373.43	7.12	-47.30
CCCC(NC(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL300019732503	1	44	-1.0	-54.39	373.49	7.13	-47.26
CCCC(NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019732504	0	47	-1.0	-52.86	383.95	6.34	-46.52
CCCC(NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019732504	1	47	-1.0	-52.88	384.01	6.35	-46.53
CCCC(NC(=O)CCCCCOC1CCCC(C)C1)C1=N[N-]N=N1	REAL300019732505	0	57	-1.0	-47.05	439.59	7.10	-39.95
CCCC(NC(=O)CCCCCOC1CCCC(C)C1)C1=NN=N[N-]1	REAL300019732505	1	57	-1.0	-47.08	439.65	7.12	-39.96
CCCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732506	0	49	-1.0	-45.23	402.26	-1.07	-46.30
CCCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732506	1	49	-1.0	-45.24	402.32	-1.06	-46.30
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=N[N-]N=N1	REAL300019732507	0	46	-1.0	-47.49	369.85	2.89	-44.60
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=NN=N[N-]1	REAL300019732507	1	46	-1.0	-47.49	369.91	2.90	-44.59
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=NN=N[N-]1	REAL300019732508	0	42	-1.0	-52.94	366.54	6.17	-46.77
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=N[N-]N=N1	REAL300019732508	1	42	-1.0	-52.94	366.48	6.15	-46.79
CCCC(NC(=O)C(O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732509	0	42	-1.0	-45.74	351.60	3.79	-41.95
CCCC(NC(=O)C(O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732509	1	42	-1.0	-45.73	351.66	3.81	-41.92
CCCC(NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019732510	0	36	-1.0	-43.05	313.84	2.94	-40.11
CCCC(NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019732510	1	36	-1.0	-43.08	313.90	2.96	-40.12
CCCC(NC(=O)C(O)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL300019732511	0	40	-1.0	-45.54	336.01	1.67	-43.87
CCCC(NC(=O)C(O)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL300019732511	1	40	-1.0	-45.48	336.07	1.68	-43.80
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019732512	0	34	-1.0	-41.40	314.90	4.66	-36.74
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019732512	1	34	-1.0	-41.39	314.96	4.68	-36.71
CCCC(NC(=O)CC1=CC=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL300019732513	0	41	-1.0	-48.19	353.74	4.95	-43.24
CCCC(NC(=O)CC1=CC=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL300019732513	1	41	-1.0	-48.22	353.79	4.97	-43.25
CCCC(NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=NN=N[N-]1	REAL300019732514	0	42	-1.0	-47.22	349.84	2.87	-44.35
CCCC(NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=N[N-]N=N1	REAL300019732514	1	42	-1.0	-47.24	349.78	2.85	-44.39
CCCC(NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300019732515	0	44	-1.0	-46.48	356.49	4.25	-42.23
CCCC(NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300019732515	1	44	-1.0	-46.45	356.55	4.27	-42.18
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019732516	0	58	-1.0	-49.04	443.79	5.95	-43.09
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019732516	1	58	-1.0	-49.02	443.85	5.96	-43.06
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=N[N-]N=N1	REAL300019732517	0	54	-1.0	-52.23	429.65	8.08	-44.15
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=NN=N[N-]1	REAL300019732517	1	54	-1.0	-52.20	429.71	8.10	-44.10
CCCC(NC(=O)C1=CC=C(F)C(SC)=C1)C1=N[N-]N=N1	REAL300019732518	0	36	-1.0	-44.49	320.22	4.67	-39.82
CCCC(NC(=O)C1=CC=C(F)C(SC)=C1)C1=NN=N[N-]1	REAL300019732518	1	36	-1.0	-44.51	320.28	4.69	-39.82
CCCC(NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019732519	0	36	-1.0	-42.93	340.49	3.35	-39.58
CCCC(NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019732519	1	36	-1.0	-42.93	340.55	3.37	-39.56
CCCC(NC(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL300019732520	0	32	-2.0	-109.48	299.99	3.79	-105.69
CCCC(NC(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL300019732520	1	32	-2.0	-109.52	300.04	3.81	-105.71
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019732521	0	47	-1.0	-48.71	394.36	5.41	-43.30
CCCC(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019732521	1	47	-1.0	-48.70	394.42	5.43	-43.27
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019732522	0	44	-1.0	-48.46	371.82	4.99	-43.47
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019732522	1	44	-1.0	-48.45	371.87	5.00	-43.45
CCCC(NC(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1O)C1=N[N-]N=N1	REAL300019732523	0	51	-1.0	-56.06	409.53	1.74	-54.32
CCCC(NC(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1O)C1=NN=N[N-]1	REAL300019732523	1	51	-1.0	-56.03	409.59	1.76	-54.27
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1O)C1=N[N-]N=N1	REAL300019732524	0	50	-1.0	-52.82	405.08	2.40	-50.42
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1O)C1=NN=N[N-]1	REAL300019732524	1	50	-1.0	-52.80	405.14	2.42	-50.38
CCCC(NC(=O)C1=CC=C2N=S=NC2=C1)C1=N[N-]N=N1	REAL300019732525	0	33	-1.0	-47.29	298.39	1.96	-45.33
CCCC(NC(=O)C1=CC=C2N=S=NC2=C1)C1=NN=N[N-]1	REAL300019732525	1	33	-1.0	-47.30	298.45	1.98	-45.32
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=N[N-]N=N1	REAL300019732526	0	37	-1.0	-54.65	332.97	-1.35	-56.00
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=NN=N[N-]1	REAL300019732526	1	37	-1.0	-54.66	333.03	-1.34	-56.00
CCCC(NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=NN=N[N-]1	REAL300019732527	0	37	-1.0	-46.01	336.14	2.76	-43.25
CCCC(NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=N[N-]N=N1	REAL300019732527	1	37	-1.0	-46.02	336.08	2.75	-43.27
CCCC(NC(=O)COC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019732528	0	36	-1.0	-51.10	328.26	4.83	-46.27
CCCC(NC(=O)COC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019732528	1	36	-1.0	-51.10	328.31	4.85	-46.25
CCCC(NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019732529	0	45	-1.0	-45.40	361.50	4.45	-40.95
CCCC(NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019732529	1	45	-1.0	-45.47	361.56	4.47	-41.00
CCCC(NC(=O)C1=CC=CC(Br)=N1)C1=NN=N[N-]1	REAL300019732530	0	31	-1.0	-45.53	293.03	2.41	-43.12
CCCC(NC(=O)C1=CC=CC(Br)=N1)C1=N[N-]N=N1	REAL300019732530	1	31	-1.0	-45.51	292.97	2.39	-43.12
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019732531	0	34	-2.0	-115.15	305.58	4.41	-110.74
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019732531	1	34	-2.0	-115.11	305.63	4.42	-110.69
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=NN=N[N-]1	REAL300019732532	0	41	-1.0	-51.41	358.52	6.05	-45.36
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=N[N-]N=N1	REAL300019732532	1	41	-1.0	-51.41	358.47	6.03	-45.38
CCCC(NC(=O)C=CC1=CC=C(O)C(OCC)=C1)C1=N[N-]N=N1	REAL300019732533	0	44	-1.0	-47.91	370.87	2.89	-45.02
CCCC(NC(=O)C=CC1=CC=C(O)C(OCC)=C1)C1=NN=N[N-]1	REAL300019732533	1	44	-1.0	-47.93	370.93	2.90	-45.03
CCCC(NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=N[N-]N=N1	REAL300019732534	0	37	-1.0	-51.59	340.76	2.55	-49.04
CCCC(NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=NN=N[N-]1	REAL300019732534	1	37	-1.0	-51.55	340.81	2.56	-48.99
CCCC(NC(=O)C1=CC(C)=C(Br)C=C1C)C1=N[N-]N=N1	REAL300019732535	0	38	-1.0	-43.37	329.80	5.48	-37.89
CCCC(NC(=O)C1=CC(C)=C(Br)C=C1C)C1=NN=N[N-]1	REAL300019732535	1	38	-1.0	-43.41	329.86	5.49	-37.92
CCCC(NC(=O)C=CC1=CC=C(F)C(OC)=C1)C1=N[N-]N=N1	REAL300019732536	0	40	-1.0	-47.01	344.52	4.19	-42.82
CCCC(NC(=O)C=CC1=CC=C(F)C(OC)=C1)C1=NN=N[N-]1	REAL300019732536	1	40	-1.0	-47.02	344.58	4.20	-42.82
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300019732537	0	41	-1.0	-56.87	364.09	5.82	-51.05
CCCC(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300019732537	1	41	-1.0	-56.85	364.03	5.80	-51.05
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019732538	0	56	-1.0	-49.60	434.77	5.79	-43.81
CCCC(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019732538	1	56	-1.0	-49.60	434.82	5.81	-43.79
CCCC(NC(=O)CC(O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019732539	0	39	-1.0	-47.67	333.44	2.89	-44.78
CCCC(NC(=O)CC(O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019732539	1	39	-1.0	-47.71	333.49	2.91	-44.80
CCCC(NC(=O)C1=CN=C(C(=O)OC)C=N1)C1=NN=N[N-]1	REAL300019732540	0	36	-1.0	-42.20	322.18	0.67	-41.53
CCCC(NC(=O)C1=CN=C(C(=O)OC)C=N1)C1=N[N-]N=N1	REAL300019732540	1	36	-1.0	-42.21	322.13	0.66	-41.55
CCCC(NC(=O)C1=CC=CN2C(=O)NN=C12)C1=N[N-]N=N1	REAL300019732541	0	35	-1.0	-49.13	305.06	2.31	-46.82
CCCC(NC(=O)C1=CC=CN2C(=O)NN=C12)C1=NN=N[N-]1	REAL300019732541	1	35	-1.0	-49.15	305.12	2.33	-46.82
CCCC(NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019732542	0	42	-1.0	-55.30	368.52	1.71	-53.59
CCCC(NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019732542	1	42	-1.0	-55.36	368.58	1.73	-53.63
CCCC(NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300019732543	0	37	-1.0	-45.46	329.46	0.72	-44.74
CCCC(NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300019732543	1	37	-1.0	-45.49	329.40	0.70	-44.79
CCCC(NC(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732544	0	52	-1.0	-46.74	417.83	4.80	-41.94
CCCC(NC(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732544	1	52	-1.0	-46.74	417.88	4.81	-41.93
CCCC(NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=NN=N[N-]1	REAL300019732545	0	34	-1.0	-52.34	319.87	3.12	-49.22
CCCC(NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=N[N-]N=N1	REAL300019732545	1	34	-1.0	-52.35	319.81	3.10	-49.25
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019732546	0	50	-1.0	-46.09	411.85	6.92	-39.17
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019732546	1	50	-1.0	-46.12	411.90	6.94	-39.18
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=N[N-]N=N1	REAL300019732547	0	39	-1.0	-43.39	347.01	4.55	-38.84
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=NN=N[N-]1	REAL300019732547	1	39	-1.0	-43.37	347.07	4.56	-38.81
CCCC(NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019732548	0	41	-1.0	-43.65	357.03	6.19	-37.46
CCCC(NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019732548	1	41	-1.0	-43.64	357.09	6.21	-37.43
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1CC)C1=N[N-]N=N1	REAL300019732549	0	44	-1.0	-49.94	368.96	2.52	-47.42
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1CC)C1=NN=N[N-]1	REAL300019732549	1	44	-1.0	-49.91	369.01	2.53	-47.38
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=N[N-]N=N1	REAL300019732550	0	44	-1.0	-50.03	368.47	2.36	-47.67
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=NN=N[N-]1	REAL300019732550	1	44	-1.0	-50.07	368.53	2.38	-47.69
CCCC(NC(=O)C1=CC2=CC(Br)=CC(C)=C2O1)C1=N[N-]N=N1	REAL300019732551	0	38	-1.0	-42.80	348.22	5.29	-37.51
CCCC(NC(=O)C1=CC2=CC(Br)=CC(C)=C2O1)C1=NN=N[N-]1	REAL300019732551	1	38	-1.0	-42.82	348.28	5.30	-37.52
CCCC(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300019732552	0	58	-1.0	-44.42	454.18	1.17	-43.25
CCCC(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300019732552	1	58	-1.0	-44.46	454.24	1.19	-43.27
CCCC(NC(=O)C1=NC2=CC=CC=C2C(OCCOC)=C1)C1=NN=N[N-]1	REAL300019732553	0	48	-1.0	-48.75	402.11	3.66	-45.09
CCCC(NC(=O)C1=NC2=CC=CC=C2C(OCCOC)=C1)C1=N[N-]N=N1	REAL300019732553	1	48	-1.0	-48.77	402.05	3.65	-45.12
CCCC(NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019732554	0	42	-1.0	-42.77	369.93	6.81	-35.96
CCCC(NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019732554	1	42	-1.0	-42.76	369.99	6.82	-35.94
CCCC(NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019732555	0	39	-1.0	-45.25	338.45	5.92	-39.33
CCCC(NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019732555	1	39	-1.0	-45.27	338.50	5.94	-39.33
CCCC(NC(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019732556	0	41	-1.0	-49.93	369.20	5.42	-44.51
CCCC(NC(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019732556	1	41	-1.0	-49.92	369.14	5.41	-44.51
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=N[N-]N=N1	REAL300019732557	0	38	-1.0	-46.10	326.62	4.19	-41.91
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=NN=N[N-]1	REAL300019732557	1	38	-1.0	-46.12	326.68	4.20	-41.92
CCCC(NC(=O)C1COC2=CC=C(F)C=C2C1)C1=N[N-]N=N1	REAL300019732558	0	40	-1.0	-44.35	335.28	4.21	-40.14
CCCC(NC(=O)C1COC2=CC=C(F)C=C2C1)C1=NN=N[N-]1	REAL300019732558	1	40	-1.0	-44.35	335.34	4.22	-40.13
CCCC(NC(=O)C1=CC=C(F)C(C(=O)CC)=C1)C1=N[N-]N=N1	REAL300019732559	0	40	-1.0	-45.31	341.87	5.00	-40.31
CCCC(NC(=O)C1=CC=C(F)C(C(=O)CC)=C1)C1=NN=N[N-]1	REAL300019732559	1	40	-1.0	-45.32	341.93	5.01	-40.31
CCCC(NC(=O)C1=CN=C2C(=C1CC)C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL300019732560	0	49	-1.0	-45.25	392.18	4.70	-40.55
CCCC(NC(=O)C1=CN=C2C(=C1CC)C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL300019732560	1	49	-1.0	-45.25	392.24	4.71	-40.54
CCCC(NC(=O)C1=CC=C(C(C)(C)CC)C=C1)C1=N[N-]N=N1	REAL300019732561	0	47	-1.0	-46.27	364.63	6.40	-39.87
CCCC(NC(=O)C1=CC=C(C(C)(C)CC)C=C1)C1=NN=N[N-]1	REAL300019732561	1	47	-1.0	-46.25	364.69	6.42	-39.83
CCCC(NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=N[N-]N=N1	REAL300019732562	0	32	-1.0	-41.79	310.38	4.69	-37.10
CCCC(NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=NN=N[N-]1	REAL300019732562	1	32	-1.0	-41.78	310.44	4.71	-37.07
CCCC(NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=NN=N[N-]1	REAL300019732563	0	34	-1.0	-52.72	319.97	3.15	-49.57
CCCC(NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=N[N-]N=N1	REAL300019732563	1	34	-1.0	-52.78	319.91	3.13	-49.65
CCCC(NC(=O)C1=CSC(C2CCCO2)=N1)C1=N[N-]N=N1	REAL300019732564	0	39	-1.0	-46.05	340.60	1.62	-44.43
CCCC(NC(=O)C1=CSC(C2CCCO2)=N1)C1=NN=N[N-]1	REAL300019732564	1	39	-1.0	-46.08	340.66	1.63	-44.45
CCCC(NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019732565	0	35	-1.0	-52.42	328.39	0.11	-52.31
CCCC(NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019732565	1	35	-1.0	-52.44	328.45	0.13	-52.31
CCCC(NC(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019732566	0	37	-1.0	-44.19	336.28	5.31	-38.88
CCCC(NC(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732566	1	37	-1.0	-44.21	336.33	5.33	-38.88
CCCC(NC(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019732567	0	44	-1.0	-45.19	395.24	7.63	-37.56
CCCC(NC(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019732567	1	44	-1.0	-45.17	395.29	7.65	-37.52
CCCC(NC(=O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300019732568	0	34	-1.0	-47.24	309.75	3.15	-44.09
CCCC(NC(=O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300019732568	1	34	-1.0	-47.24	309.69	3.14	-44.10
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL300019732569	0	42	-1.0	-46.50	357.62	4.72	-41.78
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL300019732569	1	42	-1.0	-46.50	357.68	4.73	-41.77
CCCC(NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=N[N-]N=N1	REAL300019732570	0	47	-1.0	-51.26	377.46	4.30	-46.96
CCCC(NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=NN=N[N-]1	REAL300019732570	1	47	-1.0	-51.25	377.52	4.32	-46.93
CCCC(NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=N[N-]N=N1	REAL300019732571	0	41	-1.0	-52.19	359.19	3.40	-48.79
CCCC(NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=NN=N[N-]1	REAL300019732571	1	41	-1.0	-52.20	359.25	3.41	-48.79
CCCC(NC(=O)C1=COC(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL300019732572	0	37	-1.0	-51.43	336.70	-2.19	-53.62
CCCC(NC(=O)C1=COC(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL300019732572	1	37	-1.0	-51.47	336.76	-2.17	-53.64
CCCC(NC(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=N[N-]N=N1	REAL300019732573	0	41	-1.0	-57.66	351.08	5.49	-52.17
CCCC(NC(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=NN=N[N-]1	REAL300019732573	1	41	-1.0	-57.69	351.14	5.49	-52.20
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=N[N-]N=N1	REAL300019732574	0	43	-1.0	-43.98	376.20	5.13	-38.85
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=NN=N[N-]1	REAL300019732574	1	43	-1.0	-43.97	376.26	5.14	-38.83
CCCC(NC(=O)C1=NN(CCO)C(=O)CC1)C1=N[N-]N=N1	REAL300019732575	0	40	-1.0	-44.31	339.15	-1.61	-45.92
CCCC(NC(=O)C1=NN(CCO)C(=O)CC1)C1=NN=N[N-]1	REAL300019732575	1	40	-1.0	-44.32	339.20	-1.59	-45.91
CCCC(NC(=O)C1CCC(C(=O)OC)CC1)C1=N[N-]N=N1	REAL300019732576	0	44	-1.0	-47.89	354.75	4.51	-43.38
CCCC(NC(=O)C1CCC(C(=O)OC)CC1)C1=NN=N[N-]1	REAL300019732576	1	44	-1.0	-47.91	354.79	4.52	-43.39
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL300019732577	0	37	-1.0	-48.05	324.28	2.50	-45.55
CCCC(NC(=O)C1=CN=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL300019732577	1	37	-1.0	-48.07	324.23	2.48	-45.59
CCCC(NC(=O)CCS(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL300019732578	0	39	-1.0	-48.40	336.84	-0.61	-49.01
CCCC(NC(=O)CCS(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL300019732578	1	39	-1.0	-48.42	336.90	-0.59	-49.01
CCCC(NC(=O)CCC(=O)N1CCC(O)CC1)C1=N[N-]N=N1	REAL300019732579	0	46	-1.0	-46.49	368.73	0.28	-46.21
CCCC(NC(=O)CCC(=O)N1CCC(O)CC1)C1=NN=N[N-]1	REAL300019732579	1	46	-1.0	-46.50	368.79	0.29	-46.21
CCCC(NC(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=N[N-]N=N1	REAL300019732580	0	45	-1.0	-55.15	385.85	0.87	-54.28
CCCC(NC(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=NN=N[N-]1	REAL300019732580	1	45	-1.0	-55.14	385.91	0.89	-54.25
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=NN=N[N-]1	REAL300019732581	0	44	-1.0	-49.19	371.15	7.56	-41.63
CCCC(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=N[N-]N=N1	REAL300019732581	1	44	-1.0	-49.18	371.10	7.55	-41.63
CCCC(NC(=O)C1=NC=CC2=C(S(N)(=O)=O)C=CC=C21)C1=NN=N[N-]1	REAL300019732582	0	42	-1.0	-49.16	361.98	-0.86	-50.02
CCCC(NC(=O)C1=NC=CC2=C(S(N)(=O)=O)C=CC=C21)C1=N[N-]N=N1	REAL300019732582	1	42	-1.0	-49.17	361.92	-0.88	-50.05
CCCC(NC(=O)C1=CC(I)=CC=C1O)C1=N[N-]N=N1	REAL300019732583	0	33	-1.0	-46.38	310.91	3.25	-43.13
CCCC(NC(=O)C1=CC(I)=CC=C1O)C1=NN=N[N-]1	REAL300019732583	1	33	-1.0	-46.37	310.97	3.26	-43.11
CCCC(NC(=O)C1=CC(I)=CC=C1[O-])C1=N[N-]N=N1	REAL300019732583	1	32	-2.0	-107.93	307.34	4.26	-103.67
CCCC(NC(=O)C1=CC(I)=CC=C1[O-])C1=NN=N[N-]1	REAL300019732583	1	32	-2.0	-107.94	307.40	4.27	-103.67
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL300019732584	0	34	-2.0	-98.20	307.74	3.83	-94.37
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL300019732584	1	34	-2.0	-98.18	307.80	3.84	-94.34
CCCC(NC(=O)C1=CC=C(Br)C=C1O)C1=N[N-]N=N1	REAL300019732585	0	33	-1.0	-46.53	304.41	2.77	-43.76
CCCC(NC(=O)C1=CC=C(Br)C=C1O)C1=NN=N[N-]1	REAL300019732585	1	33	-1.0	-46.51	304.47	2.79	-43.72
CCCC(NC(=O)C1=CC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019732585	1	32	-2.0	-109.26	300.85	3.78	-105.48
CCCC(NC(=O)C1=CC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019732585	1	32	-2.0	-109.24	300.91	3.79	-105.45
CCCC(NC(=O)C1=CC2=C(C=C1O)OCO2)C1=N[N-]N=N1	REAL300019732586	0	36	-1.0	-47.87	309.15	0.82	-47.05
CCCC(NC(=O)C1=CC2=C(C=C1O)OCO2)C1=NN=N[N-]1	REAL300019732586	1	36	-1.0	-47.85	309.21	0.84	-47.01
CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019732587	0	38	-2.0	-111.74	338.76	5.89	-105.85
CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019732587	1	38	-2.0	-111.75	338.82	5.91	-105.84
CCCC(NC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019732587	1	39	-1.0	-47.80	342.33	4.90	-42.90
CCCC(NC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019732587	1	39	-1.0	-47.81	342.38	4.91	-42.90
CCCC(NC(=O)C1=CC=C(C(C)C)C=C1O)C1=N[N-]N=N1	REAL300019732588	0	42	-1.0	-49.06	343.26	4.06	-45.00
CCCC(NC(=O)C1=CC=C(C(C)C)C=C1O)C1=NN=N[N-]1	REAL300019732588	1	42	-1.0	-49.07	343.31	4.08	-44.99
CCCC(NC(=O)C1=CC=C(C)N=C1Br)C1=N[N-]N=N1	REAL300019732589	0	34	-1.0	-48.46	307.32	2.99	-45.47
CCCC(NC(=O)C1=CC=C(C)N=C1Br)C1=NN=N[N-]1	REAL300019732589	1	34	-1.0	-48.45	307.38	3.00	-45.45
CCCCS(=O)(=O)NCC(=O)NC(CCC)C1=N[N-]N=N1	REAL300019732590	0	42	-1.0	-55.06	359.87	-0.72	-55.78
CCCCS(=O)(=O)NCC(=O)NC(CCC)C1=NN=N[N-]1	REAL300019732590	1	42	-1.0	-55.02	359.92	-0.71	-55.73
CCCC(NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL300019732591	0	38	-1.0	-52.12	327.70	3.48	-48.64
CCCC(NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL300019732591	1	38	-1.0	-52.08	327.65	3.47	-48.61
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)OC)C1=N[N-]N=N1	REAL300019732592	0	44	-1.0	-54.27	366.51	5.51	-48.76
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)OC)C1=NN=N[N-]1	REAL300019732592	1	44	-1.0	-54.31	366.56	5.53	-48.78
CCCC(NC(=O)C1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL300019732593	0	35	-1.0	-47.41	311.96	4.90	-42.51
CCCC(NC(=O)C1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL300019732593	1	35	-1.0	-47.39	312.02	4.92	-42.47
CCCC(NC(=O)C1=CC(NC(=O)C2=C(C)ON=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019732594	0	46	-1.0	-52.57	391.86	2.42	-50.15
CCCC(NC(=O)C1=CC(NC(=O)C2=C(C)ON=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019732594	1	46	-1.0	-52.58	391.91	2.43	-50.15
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1O)C1=N[N-]N=N1	REAL300019732595	0	42	-1.0	-49.00	343.27	4.06	-44.94
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1O)C1=NN=N[N-]1	REAL300019732595	1	42	-1.0	-49.04	343.33	4.08	-44.96
CCCC(NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019732596	0	49	-1.0	-50.40	407.42	7.39	-43.01
CCCC(NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019732596	1	49	-1.0	-50.41	407.48	7.41	-43.00
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019732597	0	46	-1.0	-50.34	385.92	6.61	-43.73
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019732597	1	46	-1.0	-50.34	385.98	6.62	-43.72
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1O)C1=N[N-]N=N1	REAL300019732598	0	40	-1.0	-50.21	333.72	2.57	-47.64
CCCC(NC(=O)C1=CC(C)=CC(OC)=C1O)C1=NN=N[N-]1	REAL300019732598	1	40	-1.0	-50.25	333.78	2.59	-47.66
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300019732599	0	39	-1.0	-48.61	352.46	5.30	-43.31
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300019732599	1	39	-1.0	-48.59	352.40	5.29	-43.30
CCCC(NC(=O)CNC1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL300019732600	0	37	-1.0	-47.89	327.37	2.10	-45.79
CCCC(NC(=O)CNC1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL300019732600	1	37	-1.0	-47.88	327.31	2.09	-45.79
CCCC(NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=N[N-]N=N1	REAL300019732601	0	41	-1.0	-49.91	341.59	3.25	-46.66
CCCC(NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=NN=N[N-]1	REAL300019732601	1	41	-1.0	-49.94	341.64	3.27	-46.67
CCCC(NC(=O)C1=CC=NC2=C(C(=O)OCC)C=NN21)C1=NN=N[N-]1	REAL300019732602	0	43	-1.0	-49.11	372.96	4.50	-44.61
CCCC(NC(=O)C1=CC=NC2=C(C(=O)OCC)C=NN21)C1=N[N-]N=N1	REAL300019732602	1	43	-1.0	-49.15	372.91	4.49	-44.66
CCCC(NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=NN=N[N-]1	REAL300019732603	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	REAL300019732603	1	38	-1.0	-52.73	331.43	-0.38	-53.11
CCCC(NC(=O)C1=COC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019732604	0	34	-1.0	-51.94	314.27	-3.40	-55.34
CCCC(NC(=O)C1=COC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019732604	1	34	-1.0	-51.94	314.33	-3.38	-55.32
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019732605	0	38	-1.0	-54.25	330.78	5.33	-48.92
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019732605	1	38	-1.0	-54.20	330.72	5.31	-48.89
CCCC(NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732606	0	50	-1.0	-48.52	406.46	8.28	-40.24
CCCC(NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732606	1	50	-1.0	-48.51	406.51	8.30	-40.21
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC)C1=N[N-]N=N1	REAL300019732607	0	41	-1.0	-54.96	346.38	4.66	-50.30
CCCC(NC(=O)CC1=CC=CC=C1C(=O)OC)C1=NN=N[N-]1	REAL300019732607	1	41	-1.0	-55.01	346.43	4.68	-50.33
CCCC(NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL300019732608	0	43	-1.0	-52.65	357.28	2.12	-50.53
CCCC(NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL300019732608	1	43	-1.0	-52.67	357.34	2.14	-50.53
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300019732609	0	37	-1.0	-52.48	349.16	-0.86	-53.34
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300019732609	1	37	-1.0	-52.51	349.22	-0.85	-53.36
CCCC(NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL300019732610	0	44	-1.0	-47.65	386.29	5.78	-41.87
CCCC(NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL300019732610	1	44	-1.0	-47.64	386.35	5.79	-41.85
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300019732611	0	38	-1.0	-44.27	322.92	4.78	-39.49
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300019732611	1	38	-1.0	-44.26	322.98	4.79	-39.47
CCCC(NC(=O)C(C)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019732612	0	38	-1.0	-44.33	336.15	5.47	-38.86
CCCC(NC(=O)C(C)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019732612	1	38	-1.0	-44.33	336.21	5.49	-38.84
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=N[N-]N=N1	REAL300019732613	0	48	-1.0	-50.10	391.95	6.30	-43.80
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=NN=N[N-]1	REAL300019732613	1	48	-1.0	-50.09	392.00	6.31	-43.78
CCCC(NC(=O)CCC1=NC(CSC)=NO1)C1=N[N-]N=N1	REAL300019732614	0	40	-1.0	-45.44	356.61	1.75	-43.69
CCCC(NC(=O)CCC1=NC(CSC)=NO1)C1=NN=N[N-]1	REAL300019732614	1	40	-1.0	-45.44	356.67	1.77	-43.67
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1=N[N-]N=N1	REAL300019732615	0	38	-1.0	-45.70	341.61	6.50	-39.20
CCCC(NC(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1=NN=N[N-]1	REAL300019732615	1	38	-1.0	-45.70	341.67	6.51	-39.19
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=NN=N[N-]1	REAL300019732616	0	49	-1.0	-57.15	404.48	2.91	-54.24
CCCC(NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=N[N-]N=N1	REAL300019732616	1	49	-1.0	-57.15	404.43	2.89	-54.26
CCCC(NC(=O)C1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019732617	0	40	-1.0	-46.88	325.34	3.90	-42.98
CCCC(NC(=O)C1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019732617	1	40	-1.0	-46.84	325.40	3.91	-42.93
CCCC(NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=NN=N[N-]1	REAL300019732618	0	43	-1.0	-43.42	369.00	4.47	-38.95
CCCC(NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=N[N-]N=N1	REAL300019732618	1	43	-1.0	-43.41	368.94	4.46	-38.95
CCCC(NC(=O)CC1=CC=CC(OCC(=O)NC)=C1)C1=N[N-]N=N1	REAL300019732619	0	46	-1.0	-55.82	388.94	3.15	-52.67
CCCC(NC(=O)CC1=CC=CC(OCC(=O)NC)=C1)C1=NN=N[N-]1	REAL300019732619	1	46	-1.0	-55.81	389.00	3.16	-52.65
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=N[N-]N=N1	REAL300019732620	0	38	-1.0	-53.94	339.50	1.23	-52.71
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=NN=N[N-]1	REAL300019732620	1	38	-1.0	-53.89	339.56	1.25	-52.64
CCCC(NC(=O)CCCC1(C)NC(=O)NC1=O)C1=N[N-]N=N1	REAL300019732621	0	43	-1.0	-51.19	354.47	-1.34	-52.53
CCCC(NC(=O)CCCC1(C)NC(=O)NC1=O)C1=NN=N[N-]1	REAL300019732621	1	43	-1.0	-51.21	354.53	-1.31	-52.52
CCCC(NC(=O)C1=CC=CC(OC(C)C)=N1)C1=NN=N[N-]1	REAL300019732622	0	41	-1.0	-45.78	345.75	2.33	-43.45
CCCC(NC(=O)C1=CC=CC(OC(C)C)=N1)C1=N[N-]N=N1	REAL300019732622	1	41	-1.0	-45.78	345.69	2.31	-43.47
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300019732623	0	45	-1.0	-50.45	372.99	5.32	-45.13
CCCC(NC(=O)C1=CC=C(OC)C(C2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300019732623	1	45	-1.0	-50.41	372.93	5.30	-45.11
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=N[N-]N=N1	REAL300019732624	0	44	-1.0	-53.81	355.69	6.72	-47.09
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=NN=N[N-]1	REAL300019732624	1	44	-1.0	-53.81	355.75	6.74	-47.07
CCCC(NC(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=NN=N[N-]1	REAL300019732625	0	37	-1.0	-47.49	332.36	4.55	-42.94
CCCC(NC(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=N[N-]N=N1	REAL300019732625	1	37	-1.0	-47.49	332.31	4.53	-42.96
CCCOC1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1OCCC	REAL300019732626	0	55	-1.0	-50.23	444.37	6.93	-43.30
CCCOC1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1OCCC	REAL300019732626	1	55	-1.0	-50.23	444.43	6.95	-43.28
CCCC(NC(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732627	0	53	-1.0	-47.49	400.14	5.01	-42.48
CCCC(NC(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732627	1	53	-1.0	-47.48	400.15	5.02	-42.46
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300019732628	0	52	-1.0	-47.60	414.72	4.82	-42.78
CCCC(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300019732628	1	52	-1.0	-47.62	414.78	4.83	-42.79
CCCC(NC(=O)CC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300019732629	0	35	-1.0	-45.03	325.67	4.94	-40.09
CCCC(NC(=O)CC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300019732629	1	35	-1.0	-45.07	325.72	4.96	-40.11
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL300019732630	0	35	-1.0	-44.01	333.86	5.32	-38.69
CCCC(NC(=O)CC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL300019732630	1	35	-1.0	-44.02	333.92	5.33	-38.69
CCCC(NC(=O)CC1=CC=CC=C1I)C1=N[N-]N=N1	REAL300019732631	0	35	-1.0	-46.64	322.20	5.20	-41.44
CCCC(NC(=O)CC1=CC=CC=C1I)C1=NN=N[N-]1	REAL300019732631	1	35	-1.0	-46.63	322.25	5.21	-41.42
CCCC(NC(=O)CC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300019732632	0	35	-1.0	-44.58	323.54	4.87	-39.71
CCCC(NC(=O)CC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300019732632	1	35	-1.0	-44.58	323.59	4.89	-39.69
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=N[N-]N=N1	REAL300019732633	0	40	-1.0	-47.94	350.07	2.83	-45.11
CCCC(NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=NN=N[N-]1	REAL300019732633	1	40	-1.0	-47.97	350.13	2.85	-45.12
CCCC(NC(=O)CSC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019732634	0	36	-1.0	-46.53	338.74	5.37	-41.16
CCCC(NC(=O)CSC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019732634	1	36	-1.0	-46.52	338.80	5.39	-41.13
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732635	0	55	-1.0	-49.97	443.50	5.71	-44.26
CCCC(NC(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732635	1	55	-1.0	-49.99	443.55	5.74	-44.25
CCCC(NC(=O)C1CCCC2=C1C=CS2)C1=N[N-]N=N1	REAL300019732636	0	39	-1.0	-44.57	327.95	4.93	-39.64
CCCC(NC(=O)C1CCCC2=C1C=CS2)C1=NN=N[N-]1	REAL300019732636	1	39	-1.0	-44.54	328.01	4.95	-39.59
CCCC(NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=N[N-]N=N1	REAL300019732637	0	44	-1.0	-56.92	374.47	3.91	-53.01
CCCC(NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=NN=N[N-]1	REAL300019732637	1	44	-1.0	-56.94	374.53	3.92	-53.02
CCCC(NC(=O)CC1=CC=CC(OCCOC)=C1)C1=N[N-]N=N1	REAL300019732638	0	46	-1.0	-49.12	383.91	3.79	-45.33
CCCC(NC(=O)CC1=CC=CC(OCCOC)=C1)C1=NN=N[N-]1	REAL300019732638	1	46	-1.0	-49.14	383.97	3.81	-45.33
CCCC(NC(=O)C1=CC=CC=C1N=NC1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL300019732639	0	52	-1.0	-58.78	427.36	6.63	-52.15
CCCC(NC(=O)C1=CC=CC=C1N=NC1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL300019732639	1	52	-1.0	-58.80	427.42	6.65	-52.15
CCCC(NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=N[N-]N=N1	REAL300019732640	0	42	-1.0	-42.48	364.26	2.83	-39.65
CCCC(NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=NN=N[N-]1	REAL300019732640	1	42	-1.0	-42.50	364.31	2.85	-39.65
CCCCN1N=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1C	REAL300019732641	0	44	-1.0	-46.44	359.68	4.26	-42.18
CCCCN1N=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1C	REAL300019732641	1	44	-1.0	-46.45	359.73	4.27	-42.18
CCCC(NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732642	0	35	-1.0	-44.63	326.12	5.02	-39.61
CCCC(NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732642	1	35	-1.0	-44.62	326.18	5.04	-39.58
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300019732643	0	40	-1.0	-46.88	338.74	5.34	-41.54
CCCC(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300019732643	1	40	-1.0	-46.89	338.80	5.35	-41.54
CCCC(NC(=O)C1=CC2=CC=C(C)N=C2C=C1)C1=N[N-]N=N1	REAL300019732644	0	40	-1.0	-47.72	336.97	4.61	-43.11
CCCC(NC(=O)C1=CC2=CC=C(C)N=C2C=C1)C1=NN=N[N-]1	REAL300019732644	1	40	-1.0	-47.76	337.03	4.63	-43.13
CCCC(NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=N[N-]N=N1	REAL300019732645	0	49	-1.0	-51.72	400.79	5.91	-45.81
CCCC(NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=NN=N[N-]1	REAL300019732645	1	49	-1.0	-51.72	400.84	5.92	-45.80
CCCC(NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300019732646	0	44	-1.0	-49.84	371.94	1.79	-48.05
CCCC(NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300019732646	1	44	-1.0	-49.79	371.88	1.78	-48.01
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732647	0	37	-1.0	-41.11	341.20	5.28	-35.83
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732647	1	37	-1.0	-41.09	341.26	5.29	-35.80
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019732648	0	32	-1.0	-42.19	312.32	4.74	-37.45
CCCC(NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019732648	1	32	-1.0	-42.17	312.38	4.75	-37.42
CCCC(NC(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=NN=N[N-]1	REAL300019732649	0	44	-1.0	-45.41	383.90	7.16	-38.25
CCCC(NC(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=N[N-]N=N1	REAL300019732649	1	44	-1.0	-45.41	383.85	7.15	-38.26
CCCC(NC(=O)CCCC1=C(C)C=CS1)C1=N[N-]N=N1	REAL300019732650	0	41	-1.0	-46.60	350.59	5.53	-41.07
CCCC(NC(=O)CCCC1=C(C)C=CS1)C1=NN=N[N-]1	REAL300019732650	1	41	-1.0	-46.59	350.65	5.56	-41.03
C=CC(=O)N1CCC(C(=O)NC(CCC)C2=N[N-]N=N2)CC1	REAL300019732651	0	43	-1.0	-53.57	346.47	3.18	-50.39
C=CC(=O)N1CCC(C(=O)NC(CCC)C2=NN=N[N-]2)CC1	REAL300019732651	1	43	-1.0	-53.53	346.52	3.21	-50.32
CCCC(NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=N[N-]N=N1	REAL300019732652	0	48	-1.0	-54.27	374.99	4.14	-50.13
CCCC(NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=NN=N[N-]1	REAL300019732652	1	48	-1.0	-54.28	375.05	4.16	-50.12
CCCC(NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732653	0	39	-1.0	-45.01	344.92	4.09	-40.92
CCCC(NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732653	1	39	-1.0	-45.02	344.98	4.10	-40.92
CCCC(NC(=O)C1=CN=C2C(=C1C)C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL300019732654	0	46	-1.0	-45.65	373.04	3.98	-41.67
CCCC(NC(=O)C1=CN=C2C(=C1C)C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL300019732654	1	46	-1.0	-45.62	373.10	3.99	-41.63
CCCC(NC(=O)C(C)CSCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732655	0	45	-1.0	-44.41	382.43	7.05	-37.36
CCCC(NC(=O)C(C)CSCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732655	1	45	-1.0	-44.39	382.49	7.06	-37.33
CCCC(NC(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019732656	0	37	-1.0	-65.12	331.09	4.84	-60.28
CCCC(NC(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732656	1	37	-1.0	-65.11	331.15	4.84	-60.27
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2C)C=C1)C1=N[N-]N=N1	REAL300019732657	0	46	-1.0	-45.87	392.64	8.27	-37.60
CCCC(NC(=O)C1=CC=C(SC2=CC=CC=C2C)C=C1)C1=NN=N[N-]1	REAL300019732657	1	46	-1.0	-45.89	392.70	8.28	-37.61
CCCC(NC(=O)C(C)N1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019732658	0	41	-1.0	-50.46	343.03	5.42	-45.04
CCCC(NC(=O)C(C)N1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019732658	1	41	-1.0	-50.49	343.09	5.44	-45.05
CCCC(NC(=O)CC1=CC=C(Cl)N=C1C)C1=N[N-]N=N1	REAL300019732659	0	37	-1.0	-46.68	327.61	3.39	-43.29
CCCC(NC(=O)CC1=CC=C(Cl)N=C1C)C1=NN=N[N-]1	REAL300019732659	1	37	-1.0	-46.64	327.67	3.41	-43.23
CCCC(NC(=O)C1=C(C)N(C2=CC(C)=CC=C2C)N=C1)C1=N[N-]N=N1	REAL300019732660	0	48	-1.0	-47.45	391.63	6.86	-40.59
CCCC(NC(=O)C1=C(C)N(C2=CC(C)=CC=C2C)N=C1)C1=NN=N[N-]1	REAL300019732660	1	48	-1.0	-47.45	391.68	6.87	-40.58
CCCC(NC(=O)C1CC1C1=C(C)C=CS1)C1=N[N-]N=N1	REAL300019732661	0	39	-1.0	-45.08	337.95	5.37	-39.71
CCCC(NC(=O)C1CC1C1=C(C)C=CS1)C1=NN=N[N-]1	REAL300019732661	1	39	-1.0	-45.14	338.01	5.38	-39.76
CCCC(NC(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL300019732662	0	35	-1.0	-50.88	327.98	2.64	-48.24
CCCC(NC(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL300019732662	1	35	-1.0	-50.87	328.04	2.66	-48.21
CCCC(NC(=O)CCC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300019732663	0	44	-1.0	-45.37	363.14	6.43	-38.94
CCCC(NC(=O)CCC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300019732663	1	44	-1.0	-45.37	363.20	6.44	-38.93
CCCC(NC(=O)CC1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL300019732664	0	38	-1.0	-48.05	331.11	5.17	-42.88
CCCC(NC(=O)CC1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL300019732664	1	38	-1.0	-48.05	331.16	5.18	-42.87
CCCC(NC(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300019732665	0	48	-1.0	-49.80	402.95	5.88	-43.92
CCCC(NC(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300019732665	1	48	-1.0	-49.84	403.01	5.90	-43.94
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL300019732666	0	38	-1.0	-42.90	350.05	3.78	-39.12
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL300019732666	1	38	-1.0	-42.89	350.00	3.76	-39.13
CCCC(NC(=O)C1=CC(C2CC2)=NC2=CC=C(OC)C=C21)C1=N[N-]N=N1	REAL300019732667	0	48	-1.0	-51.58	389.58	5.34	-46.24
CCCC(NC(=O)C1=CC(C2CC2)=NC2=CC=C(OC)C=C21)C1=NN=N[N-]1	REAL300019732667	1	48	-1.0	-51.60	389.64	5.36	-46.24
CCCC(NC(=O)CC1=CSC2=NC=CN12)C1=NN=N[N-]1	REAL300019732668	0	35	-1.0	-51.73	315.90	3.91	-47.82
CCCC(NC(=O)CC1=CSC2=NC=CN12)C1=N[N-]N=N1	REAL300019732668	1	35	-1.0	-51.73	315.84	3.90	-47.83
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019732669	0	50	-1.0	-49.47	396.11	3.31	-46.16
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019732669	1	50	-1.0	-49.44	396.17	3.32	-46.12
CCCC(NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL300019732670	0	39	-1.0	-49.19	332.26	2.50	-46.69
CCCC(NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL300019732670	1	39	-1.0	-49.17	332.32	2.51	-46.66
CCCC(NC(=O)C1CCC2=NN=C(C)N2C1)C1=N[N-]N=N1	REAL300019732671	0	41	-1.0	-47.41	334.28	4.26	-43.15
CCCC(NC(=O)C1CCC2=NN=C(C)N2C1)C1=NN=N[N-]1	REAL300019732671	1	41	-1.0	-47.42	334.34	4.28	-43.14
CCCC(NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300019732672	0	48	-1.0	-46.15	389.95	7.50	-38.65
CCCC(NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300019732672	1	48	-1.0	-46.19	390.01	7.52	-38.67
CCCC(NC(=O)CC1=CC=C(SCC)C=C1)C1=N[N-]N=N1	REAL300019732673	0	42	-1.0	-47.64	360.60	6.16	-41.48
CCCC(NC(=O)CC1=CC=C(SCC)C=C1)C1=NN=N[N-]1	REAL300019732673	1	42	-1.0	-47.65	360.66	6.18	-41.47
CCCC(NC(=O)CC1=CC=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300019732674	0	35	-1.0	-44.82	325.93	4.96	-39.86
CCCC(NC(=O)CC1=CC=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300019732674	1	35	-1.0	-44.82	325.99	4.98	-39.84
CCCC(NC(=O)C1=CC=CC(F)=C1I)C1=N[N-]N=N1	REAL300019732675	0	32	-1.0	-46.77	301.57	4.72	-42.05
CCCC(NC(=O)C1=CC=CC(F)=C1I)C1=NN=N[N-]1	REAL300019732675	1	32	-1.0	-46.80	301.62	4.74	-42.06
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019732676	0	53	-1.0	-51.55	416.02	3.80	-47.75
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019732676	1	53	-1.0	-51.52	416.08	3.82	-47.70
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL300019732677	0	36	-1.0	-46.41	329.03	4.54	-41.87
CCCC(NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL300019732677	1	36	-1.0	-46.43	329.09	4.56	-41.87
CCCC(NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019732678	0	45	-1.0	-51.40	376.36	3.34	-48.06
CCCC(NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019732678	1	45	-1.0	-51.40	376.41	3.35	-48.05
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1C)C1=N[N-]N=N1	REAL300019732679	0	57	-1.0	-48.37	446.54	7.77	-40.60
CCCC(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1C)C1=NN=N[N-]1	REAL300019732679	1	57	-1.0	-48.33	446.59	7.78	-40.55
CCCC(NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300019732680	0	49	-1.0	-49.67	395.85	6.60	-43.07
CCCC(NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300019732680	1	49	-1.0	-49.67	395.90	6.61	-43.06
CCCC(NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019732681	0	51	-1.0	-44.68	378.31	6.43	-38.25
CCCC(NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019732681	1	51	-1.0	-44.70	378.37	6.45	-38.25
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NN1)C1=N[N-]N=N1	REAL300019732682	0	43	-1.0	-46.32	365.27	2.95	-43.37
CCCC(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NN1)C1=NN=N[N-]1	REAL300019732682	1	43	-1.0	-46.32	365.33	2.96	-43.36
CCCC(NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300019732683	0	50	-1.0	-44.95	401.47	7.79	-37.16
CCCC(NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300019732683	1	50	-1.0	-44.96	401.53	7.81	-37.15
CCCC(NC(=O)C1=CC(C)=NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019732684	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	REAL300019732684	1	43	-1.0	-43.74	384.46	6.08	-37.66
CCCC(NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019732685	0	41	-1.0	-44.65	345.20	5.63	-39.02
CCCC(NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019732685	1	41	-1.0	-44.63	345.26	5.64	-38.99
CCCC(NC(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL300019732686	0	35	-1.0	-50.88	327.98	2.64	-48.24
CCCC(NC(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL300019732686	1	35	-1.0	-50.87	328.04	2.66	-48.21
CCCC(NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300019732687	0	39	-1.0	-47.44	348.29	4.64	-42.80
CCCC(NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300019732687	1	39	-1.0	-47.38	348.35	4.66	-42.72
CCCC(NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=N[N-]N=N1	REAL300019732688	0	41	-1.0	-53.56	356.51	-1.13	-54.69
CCCC(NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=NN=N[N-]1	REAL300019732688	1	41	-1.0	-53.51	356.57	-1.11	-54.62
CCCC(NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=N[N-]N=N1	REAL300019732689	0	43	-1.0	-49.43	345.85	4.63	-44.80
CCCC(NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=NN=N[N-]1	REAL300019732689	1	43	-1.0	-49.41	345.91	4.65	-44.76
CCCC(NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL300019732690	0	43	-1.0	-51.91	372.25	1.91	-50.00
CCCC(NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL300019732690	1	43	-1.0	-51.92	372.31	1.93	-49.99
CCCC(NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732691	0	34	-1.0	-40.77	326.13	3.31	-37.46
CCCC(NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732691	1	34	-1.0	-40.71	326.07	3.29	-37.42
CCCC(NC(=O)CCC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732692	0	44	-1.0	-46.87	356.10	6.23	-40.64
CCCC(NC(=O)CCC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732692	1	44	-1.0	-46.90	356.16	6.24	-40.66
CCCC(NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019732693	0	41	-1.0	-47.41	356.81	6.22	-41.19
CCCC(NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019732693	1	41	-1.0	-47.41	356.87	6.23	-41.18
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300019732694	0	49	-1.0	-55.42	387.26	4.72	-50.70
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300019732694	1	49	-1.0	-55.41	387.32	4.74	-50.67
CCCC(NC(=O)CC(CC)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019732695	0	48	-1.0	-49.48	383.83	5.44	-44.04
CCCC(NC(=O)CC(CC)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019732695	1	48	-1.0	-49.48	383.89	5.46	-44.02
CCCC(NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=N[N-]N=N1	REAL300019732696	0	35	-1.0	-59.97	305.58	1.60	-58.37
CCCC(NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=NN=N[N-]1	REAL300019732696	1	35	-1.0	-60.02	305.64	1.61	-58.41
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL300019732697	0	38	-1.0	-42.33	371.08	5.81	-36.52
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL300019732697	1	38	-1.0	-42.34	371.03	5.80	-36.54
CCCC(NC(=O)CC1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019732698	0	53	-1.0	-45.25	387.55	6.56	-38.69
CCCC(NC(=O)CC1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019732698	1	53	-1.0	-45.25	387.60	6.57	-38.68
CCCC(NC(=O)COC1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL300019732699	0	39	-1.0	-53.21	335.47	4.91	-48.30
CCCC(NC(=O)COC1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL300019732699	1	39	-1.0	-53.21	335.53	4.93	-48.28
CCCC(NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300019732700	0	42	-1.0	-47.75	362.01	5.86	-41.89
CCCC(NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300019732700	1	42	-1.0	-47.77	362.06	5.87	-41.90
CCCC(NC(=O)COC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019732701	0	46	-1.0	-49.55	370.57	6.68	-42.87
CCCC(NC(=O)COC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019732701	1	46	-1.0	-49.58	370.62	6.69	-42.89
CCCC(NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019732702	0	52	-1.0	-49.27	413.02	7.18	-42.09
CCCC(NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019732702	1	52	-1.0	-49.29	413.08	7.20	-42.09
CCCC(NC(=O)C1=CC=C(N(C)C)C=C1F)C1=N[N-]N=N1	REAL300019732703	0	40	-1.0	-52.46	329.64	4.09	-48.37
CCCC(NC(=O)C1=CC=C(N(C)C)C=C1F)C1=NN=N[N-]1	REAL300019732703	1	40	-1.0	-52.45	329.70	4.11	-48.34
CCCC(NC(=O)CC1CSCCS1)C1=N[N-]N=N1	REAL300019732704	0	37	-1.0	-48.13	321.31	4.16	-43.97
CCCC(NC(=O)CC1CSCCS1)C1=NN=N[N-]1	REAL300019732704	1	37	-1.0	-48.18	321.37	4.17	-44.01
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=N[N-]N=N1	REAL300019732705	0	43	-1.0	-51.76	361.38	-0.21	-51.97
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=NN=N[N-]1	REAL300019732705	1	43	-1.0	-51.75	361.44	-0.21	-51.96
CCCC(NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=NN=N[N-]1	REAL300019732706	0	35	-1.0	-49.23	318.79	-0.80	-50.03
CCCC(NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=N[N-]N=N1	REAL300019732706	1	35	-1.0	-49.22	318.73	-0.81	-50.03
CCCC(NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=NN=N[N-]1	REAL300019732707	0	42	-1.0	-45.91	347.09	4.93	-40.98
CCCC(NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=N[N-]N=N1	REAL300019732707	1	42	-1.0	-45.92	347.03	4.91	-41.01
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=NN1)C1=N[N-]N=N1	REAL300019732708	0	43	-1.0	-45.14	365.19	2.95	-42.19
CCCC(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=NN1)C1=NN=N[N-]1	REAL300019732708	1	43	-1.0	-45.14	365.25	2.96	-42.18
CCCC(NC(=O)CC1=CNC2=CC(Br)=CC=C12)C1=N[N-]N=N1	REAL300019732709	0	39	-1.0	-46.78	352.10	4.96	-41.82
CCCC(NC(=O)CC1=CNC2=CC(Br)=CC=C12)C1=NN=N[N-]1	REAL300019732709	1	39	-1.0	-46.81	352.16	4.97	-41.84
CCCC(NC(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=N[N-]N=N1	REAL300019732710	0	38	-1.0	-51.44	359.01	3.34	-48.10
CCCC(NC(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=NN=N[N-]1	REAL300019732710	1	38	-1.0	-51.45	359.06	3.35	-48.10
CCCC(NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL300019732711	0	38	-1.0	-45.89	352.06	6.17	-39.72
CCCC(NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL300019732711	1	38	-1.0	-45.87	352.12	6.18	-39.69
CCCC(NC(=O)CC1=C(C)N(C2=CN=CC3=NN=NN32)N=C1C)C1=NN=N[N-]1	REAL300019732712	0	48	-1.0	-51.37	412.97	3.59	-47.78
CCCC(NC(=O)CC1=C(C)N(C2=CN=CC3=NN=NN32)N=C1C)C1=N[N-]N=N1	REAL300019732712	1	48	-1.0	-51.36	412.91	3.57	-47.79
CCCC(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=N[N-]N=N1	REAL300019732713	0	45	-1.0	-65.38	367.95	0.33	-65.05
CCCC(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=NN=N[N-]1	REAL300019732713	1	45	-1.0	-65.40	368.01	0.35	-65.05
CCCC(NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=N[N-]N=N1	REAL300019732714	0	47	-1.0	-46.30	377.23	4.76	-41.54
CCCC(NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=NN=N[N-]1	REAL300019732714	1	47	-1.0	-46.31	377.29	4.77	-41.54
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Br)C1=N[N-]N=N1	REAL300019732715	0	32	-1.0	-41.14	303.23	4.37	-36.77
CCCC(NC(=O)C1=CC(F)=C(F)C=C1Br)C1=NN=N[N-]1	REAL300019732715	1	32	-1.0	-41.12	303.29	4.38	-36.74
CCCC(NC(=O)CCC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019732716	0	38	-1.0	-43.57	332.18	5.19	-38.38
CCCC(NC(=O)CCC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019732716	1	38	-1.0	-43.57	332.24	5.21	-38.36
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=N[N-]N=N1	REAL300019732717	0	51	-1.0	-45.82	408.81	6.62	-39.20
CCCC(NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=NN=N[N-]1	REAL300019732717	1	51	-1.0	-45.81	408.87	6.63	-39.18
CCCC(NC(=O)CCOC1=CC=CC=C1C(C)C)C1=N[N-]N=N1	REAL300019732718	0	48	-1.0	-45.53	387.40	5.95	-39.58
CCCC(NC(=O)CCOC1=CC=CC=C1C(C)C)C1=NN=N[N-]1	REAL300019732718	1	48	-1.0	-45.56	387.46	5.96	-39.60
CCCC(NC(=O)C1=C2CCCCC2=NN1C)C1=N[N-]N=N1	REAL300019732719	0	42	-1.0	-46.86	342.99	3.66	-43.20
CCCC(NC(=O)C1=C2CCCCC2=NN1C)C1=NN=N[N-]1	REAL300019732719	1	42	-1.0	-46.91	343.05	3.68	-43.23
CCCC(NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=N[N-]N=N1	REAL300019732720	0	37	-1.0	-47.14	336.86	2.67	-44.47
CCCC(NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=NN=N[N-]1	REAL300019732720	1	37	-1.0	-47.13	336.91	2.68	-44.45
CCCC(NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL300019732721	0	44	-1.0	-54.31	374.41	3.92	-50.39
CCCC(NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL300019732721	1	44	-1.0	-54.31	374.47	3.93	-50.38
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019732722	0	47	-1.0	-50.82	389.52	1.75	-49.07
CCCC(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019732722	1	47	-1.0	-50.81	389.58	1.76	-49.05
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019732723	0	46	-1.0	-47.16	372.82	2.89	-44.27
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019732723	1	46	-1.0	-47.16	372.88	2.91	-44.25
CCCC(NC(=O)C1=CC=C(OC)C(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL300019732724	0	50	-1.0	-48.98	397.51	5.74	-43.24
CCCC(NC(=O)C1=CC=C(OC)C(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL300019732724	1	50	-1.0	-49.01	397.57	5.76	-43.25
CCCC(NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NN=N[N-]1	REAL300019732725	0	41	-1.0	-47.19	368.48	5.11	-42.08
CCCC(NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=N[N-]N=N1	REAL300019732725	1	41	-1.0	-47.17	368.42	5.09	-42.08
CCCC(NC(=O)C1=CC2=NNN=C2C=C1OC)C1=N[N-]N=N1	REAL300019732726	0	38	-1.0	-48.52	321.11	1.47	-47.05
CCCC(NC(=O)C1=CC2=NNN=C2C=C1OC)C1=NN=N[N-]1	REAL300019732726	1	38	-1.0	-48.52	321.17	1.48	-47.04
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019732727	0	38	-1.0	-52.28	357.78	5.79	-46.49
CCCC(NC(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019732727	1	38	-1.0	-52.28	357.84	5.81	-46.47
CCCC(NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=N[N-]N=N1	REAL300019732728	0	40	-1.0	-50.31	340.89	2.74	-47.57
CCCC(NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=NN=N[N-]1	REAL300019732728	1	40	-1.0	-50.34	340.94	2.75	-47.59
CCCC(NC(=O)C1=C(C)N=C(NC(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL300019732729	0	48	-1.0	-48.61	402.53	3.18	-45.43
CCCC(NC(=O)C1=C(C)N=C(NC(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL300019732729	1	48	-1.0	-48.59	402.59	3.19	-45.40
CCCC(NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019732730	0	49	-1.0	-48.95	393.43	6.97	-41.98
CCCC(NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019732730	1	49	-1.0	-48.91	393.49	6.98	-41.93
CCCC(NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=NN=N[N-]1	REAL300019732731	0	42	-1.0	-43.13	371.05	3.44	-39.69
CCCC(NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=N[N-]N=N1	REAL300019732731	1	42	-1.0	-43.17	370.99	3.43	-39.74
CCCC(NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL300019732732	0	41	-1.0	-47.16	371.30	5.17	-41.99
CCCC(NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL300019732732	1	41	-1.0	-47.10	371.35	5.19	-41.91
CCCC(NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019732733	0	38	-1.0	-43.67	329.93	5.07	-38.60
CCCC(NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019732733	1	38	-1.0	-43.67	329.98	5.08	-38.59
CCCC(NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL300019732734	0	36	-1.0	-46.04	313.36	1.26	-44.78
CCCC(NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL300019732734	1	36	-1.0	-46.03	313.30	1.25	-44.78
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019732735	0	43	-1.0	-53.44	376.73	5.61	-47.83
CCCC(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019732735	1	43	-1.0	-53.44	376.79	5.62	-47.82
CCCC(NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=N[N-]N=N1	REAL300019732736	0	38	-1.0	-48.72	322.51	5.25	-43.47
CCCC(NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=NN=N[N-]1	REAL300019732736	1	38	-1.0	-48.72	322.56	5.27	-43.45
CCCC(NC(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732737	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	REAL300019732737	1	35	-1.0	-47.47	325.62	2.74	-44.73
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=NN=N[N-]1	REAL300019732738	0	42	-1.0	-47.78	363.48	5.78	-42.00
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=N[N-]N=N1	REAL300019732738	1	42	-1.0	-47.77	363.42	5.77	-42.00
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC)C1=N[N-]N=N1	REAL300019732739	0	44	-1.0	-51.73	365.14	5.70	-46.03
CCCC(NC(=O)CN1C2=CC=CC=C2N=C1CC)C1=NN=N[N-]1	REAL300019732739	1	44	-1.0	-51.74	365.20	5.71	-46.03
CCCC(NC(=O)CC(=O)NCC(F)(F)F)C1=N[N-]N=N1	REAL300019732740	0	35	-1.0	-53.71	315.81	1.64	-52.07
CCCC(NC(=O)CC(=O)NCC(F)(F)F)C1=NN=N[N-]1	REAL300019732740	1	35	-1.0	-53.72	315.86	1.66	-52.06
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=N[N-]N=N1	REAL300019732741	0	36	-1.0	-45.64	337.63	5.52	-40.12
CCCC(NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=NN=N[N-]1	REAL300019732741	1	36	-1.0	-45.62	337.69	5.53	-40.09
CCCC(NC(=O)C1=CC=C(SC2CC2)C=C1)C1=N[N-]N=N1	REAL300019732742	0	40	-1.0	-46.02	345.43	6.26	-39.76
CCCC(NC(=O)C1=CC=C(SC2CC2)C=C1)C1=NN=N[N-]1	REAL300019732742	1	40	-1.0	-46.03	345.49	6.28	-39.75
CCCC(NC(=O)CCC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300019732743	0	38	-1.0	-44.11	343.93	5.64	-38.47
CCCC(NC(=O)CCC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300019732743	1	38	-1.0	-44.13	343.99	5.66	-38.47
CCCC(NC(=O)C1=CC2=NNN=C2C=C1F)C1=N[N-]N=N1	REAL300019732744	0	34	-1.0	-47.62	298.58	0.98	-46.64
CCCC(NC(=O)C1=CC2=NNN=C2C=C1F)C1=NN=N[N-]1	REAL300019732744	1	34	-1.0	-47.61	298.64	0.99	-46.62
CCCC(NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300019732745	0	44	-1.0	-43.05	380.97	3.35	-39.70
CCCC(NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300019732745	1	44	-1.0	-43.05	380.92	3.33	-39.72
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=NN=N[N-]1	REAL300019732746	0	44	-1.0	-44.68	392.79	3.93	-40.75
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC(C(F)(F)F)=C2)=N1)C1=N[N-]N=N1	REAL300019732746	1	44	-1.0	-44.67	392.73	3.92	-40.75
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732747	0	39	-2.0	-87.78	364.38	1.03	-86.75
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732747	1	39	-2.0	-87.77	364.43	1.05	-86.72
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=N[N-]N=N1	REAL300019732748	0	46	-1.0	-47.41	379.84	5.26	-42.15
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=NN=N[N-]1	REAL300019732748	1	46	-1.0	-47.45	379.89	5.27	-42.18
CCCC(NC(=O)C1=CC(C)=NN1C(CC)CC)C1=N[N-]N=N1	REAL300019732749	0	47	-1.0	-44.51	376.83	5.01	-39.50
CCCC(NC(=O)C1=CC(C)=NN1C(CC)CC)C1=NN=N[N-]1	REAL300019732749	1	47	-1.0	-44.51	376.89	5.02	-39.49
CCCC(NC(=O)CC1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL300019732750	0	44	-1.0	-47.09	354.42	5.99	-41.10
CCCC(NC(=O)CC1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL300019732750	1	44	-1.0	-47.13	354.48	6.00	-41.13
CCCC(NC(=O)C(C)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732751	0	47	-1.0	-46.00	379.48	7.18	-38.82
CCCC(NC(=O)C(C)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732751	1	47	-1.0	-45.99	379.54	7.20	-38.79
CCCC(NC(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019732752	0	40	-1.0	-49.17	352.74	2.78	-46.39
CCCC(NC(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019732752	1	40	-1.0	-49.16	352.80	2.80	-46.36
CCCC(NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL300019732753	0	39	-1.0	-46.90	336.15	5.89	-41.01
CCCC(NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL300019732753	1	39	-1.0	-46.86	336.21	5.90	-40.96
CCCC(NC(=O)C(C)CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019732754	0	44	-1.0	-45.52	357.10	6.26	-39.26
CCCC(NC(=O)C(C)CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019732754	1	44	-1.0	-45.51	357.16	6.28	-39.23
CCCC(NC(=O)C1=CC2=C(N(C)C)N=CN=C2N1C)C1=N[N-]N=N1	REAL300019732755	0	45	-1.0	-45.12	366.36	4.44	-40.68
CCCC(NC(=O)C1=CC2=C(N(C)C)N=CN=C2N1C)C1=NN=N[N-]1	REAL300019732755	1	45	-1.0	-45.15	366.42	4.45	-40.70
CCCC(NC(=O)CCC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL300019732756	0	42	-1.0	-49.30	351.69	5.14	-44.16
CCCC(NC(=O)CCC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL300019732756	1	42	-1.0	-49.28	351.74	5.16	-44.12
CCCC(NC(=O)C(CC)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019732757	0	45	-1.0	-46.18	363.90	4.82	-41.36
CCCC(NC(=O)C(CC)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019732757	1	45	-1.0	-46.20	363.96	4.83	-41.37
CCCC(NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019732758	0	43	-1.0	-42.37	372.73	5.96	-36.41
CCCC(NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019732758	1	43	-1.0	-42.36	372.79	5.99	-36.37
CCCC(NC(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019732759	0	47	-1.0	-49.39	387.94	8.14	-41.25
CCCC(NC(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019732759	1	47	-1.0	-49.40	387.99	8.16	-41.24
CCCC(NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=N[N-]N=N1	REAL300019732760	0	41	-1.0	-50.99	339.95	2.52	-48.47
CCCC(NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=NN=N[N-]1	REAL300019732760	1	41	-1.0	-50.97	340.01	2.54	-48.43
CCCC(NC(=O)C1=NN(C(C)CC)C(C)=C1)C1=N[N-]N=N1	REAL300019732761	0	44	-1.0	-50.32	359.68	4.08	-46.24
CCCC(NC(=O)C1=NN(C(C)CC)C(C)=C1)C1=NN=N[N-]1	REAL300019732761	1	44	-1.0	-50.29	359.73	4.09	-46.20
CCCC(NC(=O)C1=CN=C2SC(C)=C(C)N2C1=O)C1=NN=N[N-]1	REAL300019732762	0	40	-1.0	-53.22	343.16	4.22	-49.00
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019732763	0	42	-1.0	-48.27	372.68	5.74	-42.53
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019732763	1	42	-1.0	-48.22	372.74	5.75	-42.47
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C(F)=C2)S1)C1=NN=N[N-]1	REAL300019732764	0	41	-1.0	-43.68	370.91	5.29	-38.39
CCCC(NC(=O)C1=C(C)N=C(C2=CC=C(F)C(F)=C2)S1)C1=N[N-]N=N1	REAL300019732764	1	41	-1.0	-43.66	370.85	5.28	-38.38
CCCC(NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=N[N-]N=N1	REAL300019732765	0	39	-1.0	-48.49	338.18	1.90	-46.59
CCCC(NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=NN=N[N-]1	REAL300019732765	1	39	-1.0	-48.52	338.23	1.91	-46.61
CCCC(NC(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019732766	0	50	-1.0	-44.73	421.77	5.64	-39.09
CCCC(NC(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019732766	1	50	-1.0	-44.75	421.82	5.66	-39.09
CCCC(NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300019732767	0	37	-1.0	-46.28	320.10	-2.23	-48.51
CCCC(NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300019732767	1	37	-1.0	-46.28	320.04	-2.24	-48.52
CCCC(NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=N[N-]N=N1	REAL300019732768	0	33	-1.0	-45.82	310.48	4.43	-41.39
CCCC(NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=NN=N[N-]1	REAL300019732768	1	33	-1.0	-45.81	310.54	4.45	-41.36
CCCC(NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019732769	0	39	-1.0	-46.08	360.67	3.81	-42.27
CCCC(NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019732769	1	39	-1.0	-46.08	360.73	3.83	-42.25
CCCC(NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019732770	0	39	-1.0	-46.98	343.94	3.32	-43.66
CCCC(NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019732770	1	39	-1.0	-46.98	344.00	3.35	-43.63
CCCC(NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019732771	0	44	-1.0	-46.66	365.52	5.96	-40.70
CCCC(NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019732771	1	44	-1.0	-46.67	365.46	5.94	-40.73
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300019732772	0	35	-1.0	-44.39	325.52	5.12	-39.27
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300019732772	1	35	-1.0	-44.39	325.58	5.14	-39.25
CCCC(NC(=O)C1=CC=C(CC)C(CC)=C1)C1=N[N-]N=N1	REAL300019732773	0	44	-1.0	-47.53	351.26	6.17	-41.36
CCCC(NC(=O)C1=CC=C(CC)C(CC)=C1)C1=NN=N[N-]1	REAL300019732773	1	44	-1.0	-47.57	351.32	6.18	-41.39
CCCC(NC(=O)C(C)C1=C(C)N(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300019732774	0	47	-1.0	-51.78	389.38	4.68	-47.10
CCCC(NC(=O)C(C)C1=C(C)N(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300019732774	1	47	-1.0	-51.75	389.45	4.70	-47.05
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019732775	0	43	-1.0	-48.01	379.73	6.99	-41.02
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019732775	1	43	-1.0	-48.01	379.78	7.00	-41.01
CCCC(NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL300019732776	0	38	-1.0	-47.93	346.91	3.24	-44.69
CCCC(NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL300019732776	1	38	-1.0	-47.94	346.85	3.22	-44.72
CCCC(NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=N[N-]N=N1	REAL300019732777	0	41	-1.0	-45.48	348.85	2.59	-42.89
CCCC(NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=NN=N[N-]1	REAL300019732777	1	41	-1.0	-45.51	348.91	2.60	-42.91
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=N[N-]N=N1	REAL300019732778	0	44	-1.0	-49.30	377.65	0.97	-48.33
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=NN=N[N-]1	REAL300019732778	1	44	-1.0	-49.30	377.71	0.99	-48.31
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC(=O)N(C)C)C1=N[N-]N=N1	REAL300019732779	0	49	-1.0	-55.62	414.48	5.27	-50.35
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OCC(=O)N(C)C)C1=NN=N[N-]1	REAL300019732779	1	49	-1.0	-55.60	414.54	5.28	-50.32
CCCC(NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=N[N-]N=N1	REAL300019732780	0	43	-1.0	-50.58	374.03	5.07	-45.51
CCCC(NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=NN=N[N-]1	REAL300019732780	1	43	-1.0	-50.60	374.08	5.08	-45.52
CCCC(NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300019732781	0	37	-1.0	-41.53	336.80	5.08	-36.45
CCCC(NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300019732781	1	37	-1.0	-41.53	336.74	5.06	-36.47
CCCC(NC(=O)CC1=CC=CC=C1SC)C1=N[N-]N=N1	REAL300019732782	0	39	-1.0	-46.65	336.38	5.20	-41.45
CCCC(NC(=O)CC1=CC=CC=C1SC)C1=NN=N[N-]1	REAL300019732782	1	39	-1.0	-46.67	336.44	5.22	-41.45
CCCC(NC(=O)C1=CC=NC(OCCOC)=C1)C1=NN=N[N-]1	REAL300019732783	0	42	-1.0	-49.21	357.22	0.56	-48.65
CCCC(NC(=O)C1=CC=NC(OCCOC)=C1)C1=N[N-]N=N1	REAL300019732783	1	42	-1.0	-49.23	357.16	0.55	-48.68
CCCC(NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=N[N-]N=N1	REAL300019732784	0	37	-1.0	-54.78	320.05	4.11	-50.67
CCCC(NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=NN=N[N-]1	REAL300019732784	1	37	-1.0	-54.83	320.11	4.13	-50.70
CCCC(NC(=O)CCC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL300019732785	0	52	-1.0	-46.76	432.29	4.08	-42.68
CCCC(NC(=O)CCC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL300019732785	1	52	-1.0	-46.78	432.35	4.09	-42.69
CCCC(NC(=O)C1=CC=CC(C2=NN=C(COC)O2)=C1)C1=N[N-]N=N1	REAL300019732786	0	44	-1.0	-56.92	380.85	-0.66	-57.58
CCCC(NC(=O)C1=CC=CC(C2=NN=C(COC)O2)=C1)C1=NN=N[N-]1	REAL300019732786	1	44	-1.0	-56.92	380.91	-0.64	-57.56
CCCC(NC(=O)C1=CN=C2SC=C(C)N2C1=O)C1=NN=N[N-]1	REAL300019732787	0	37	-1.0	-54.26	324.37	3.53	-50.73
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019732788	0	39	-1.0	-48.76	369.76	6.00	-42.76
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019732788	1	39	-1.0	-48.74	369.71	5.99	-42.75
CCCC(NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019732789	0	44	-1.0	-46.64	371.19	6.81	-39.83
CCCC(NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019732789	1	44	-1.0	-46.64	371.25	6.82	-39.82
CCCC(NC(=O)C(NS(=O)(=O)C1=CC=C(C)C=C1)C(C)O)C1=N[N-]N=N1	REAL300019732790	0	50	-1.0	-51.28	413.97	-0.74	-52.02
CCCC(NC(=O)C(NS(=O)(=O)C1=CC=C(C)C=C1)C(C)O)C1=NN=N[N-]1	REAL300019732790	1	50	-1.0	-51.26	414.03	-0.73	-51.99
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300019732791	0	42	-1.0	-48.35	369.32	-0.32	-48.67
CCCC(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300019732791	1	42	-1.0	-48.32	369.38	-0.30	-48.62
CCCC(NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=N[N-]N=N1	REAL300019732792	0	38	-1.0	-48.44	330.56	-0.10	-48.54
CCCC(NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=NN=N[N-]1	REAL300019732792	1	38	-1.0	-48.43	330.61	-0.09	-48.52
CCCC(NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=N[N-]N=N1	REAL300019732793	0	37	-1.0	-56.50	325.20	-0.45	-56.95
CCCC(NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=NN=N[N-]1	REAL300019732793	1	37	-1.0	-56.54	325.26	-0.44	-56.98
CCCC(NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL300019732794	0	37	-1.0	-52.28	317.73	4.13	-48.15
CCCC(NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL300019732794	1	37	-1.0	-52.23	317.68	4.12	-48.11
CCCC(NC(=O)C1=CC(C)=C(OC)C(C)=C1)C1=N[N-]N=N1	REAL300019732795	0	42	-1.0	-46.61	347.79	4.53	-42.08
CCCC(NC(=O)C1=CC(C)=C(OC)C(C)=C1)C1=NN=N[N-]1	REAL300019732795	1	42	-1.0	-46.65	347.85	4.55	-42.10
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=N[N-]N=N1	REAL300019732796	0	36	-1.0	-46.22	321.80	3.15	-43.07
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=NN=N[N-]1	REAL300019732796	1	36	-1.0	-46.23	321.86	3.16	-43.07
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019732796	1	35	-2.0	-107.36	318.25	4.16	-103.20
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019732796	1	35	-2.0	-107.34	318.31	4.17	-103.17
CCCC(NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=N[N-]N=N1	REAL300019732797	0	48	-1.0	-46.34	398.17	7.29	-39.05
CCCC(NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=NN=N[N-]1	REAL300019732797	1	48	-1.0	-46.31	398.22	7.30	-39.01
CCCC(NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL300019732798	0	32	-1.0	-48.12	300.85	4.24	-43.88
CCCC(NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL300019732798	1	32	-1.0	-48.15	300.91	4.26	-43.89
CCCC(NC(=O)C1=C(Br)N=CS1)C1=NN=N[N-]1	REAL300019732799	0	28	-1.0	-46.30	279.43	1.31	-44.99
CCCC(NC(=O)C1=C(Br)N=CS1)C1=N[N-]N=N1	REAL300019732799	1	28	-1.0	-46.28	279.37	1.29	-44.99
CCCC(NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=NN=N[N-]1	REAL300019732800	0	45	-1.0	-56.78	360.66	2.63	-54.15
CCCC(NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=N[N-]N=N1	REAL300019732800	1	45	-1.0	-56.74	360.60	2.62	-54.12
CCCC(NC(=O)C1=CSC(NC2CC2)=N1)C1=NN=N[N-]1	REAL300019732801	0	37	-1.0	-46.02	330.29	2.35	-43.67
CCCC(NC(=O)C1=CSC(NC2CC2)=N1)C1=N[N-]N=N1	REAL300019732801	1	37	-1.0	-46.04	330.24	2.33	-43.71
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019732802	0	42	-1.0	-46.95	387.85	6.19	-40.76
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019732802	1	42	-1.0	-46.98	387.91	6.21	-40.77
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019732803	0	42	-1.0	-48.48	362.36	5.28	-43.20
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019732803	1	42	-1.0	-48.48	362.41	5.30	-43.18
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019732804	0	45	-1.0	-50.02	377.35	5.89	-44.13
CCCC(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019732804	1	45	-1.0	-50.03	377.40	5.91	-44.12
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019732805	0	42	-1.0	-50.22	372.67	5.73	-44.49
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019732805	1	42	-1.0	-50.23	372.73	5.74	-44.49
CCCC(NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019732806	0	48	-1.0	-50.62	397.22	6.52	-44.10
CCCC(NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019732806	1	48	-1.0	-50.60	397.28	6.53	-44.07
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=C2OCC)=C1)C1=N[N-]N=N1	REAL300019732807	0	49	-1.0	-50.10	404.31	7.62	-42.48
CCCC(NC(=O)C1=CC=CC(C2=CC=CC=C2OCC)=C1)C1=NN=N[N-]1	REAL300019732807	1	49	-1.0	-50.11	404.37	7.63	-42.48
CCCC(NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019732808	0	48	-1.0	-47.21	385.35	4.14	-43.07
CCCC(NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019732808	1	48	-1.0	-47.20	385.29	4.12	-43.08
CCCC(NC(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300019732809	0	43	-1.0	-45.32	391.46	8.24	-37.08
CCCC(NC(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300019732809	1	43	-1.0	-45.30	391.52	8.25	-37.05
CCCC(NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=N[N-]N=N1	REAL300019732810	0	45	-1.0	-50.81	372.95	4.98	-45.83
CCCC(NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=NN=N[N-]1	REAL300019732810	1	45	-1.0	-50.78	373.01	5.00	-45.78
CCCC(NC(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019732811	0	52	-1.0	-48.84	420.73	4.54	-44.30
CCCC(NC(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019732811	1	52	-1.0	-48.83	420.79	4.56	-44.27
CCCC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019732812	0	47	-1.0	-46.15	383.93	6.34	-39.81
CCCC(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019732812	1	47	-1.0	-46.17	383.99	6.36	-39.81
CCCC(NC(=O)C1=CN=C2SC(C)=CN2C1=O)C1=NN=N[N-]1	REAL300019732813	0	37	-1.0	-54.51	329.95	3.74	-50.77
CCCC(NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=NN=N[N-]1	REAL300019732814	0	38	-1.0	-54.85	336.17	2.48	-52.37
CCCC(NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=N[N-]N=N1	REAL300019732814	1	38	-1.0	-54.88	336.11	2.46	-52.42
CCCC(NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019732815	0	41	-1.0	-44.79	358.20	2.17	-42.62
CCCC(NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019732815	1	41	-1.0	-44.77	358.14	2.15	-42.62
CCCC(NC(=O)CC1=CNC2=CC=CC(OC)=C12)C1=N[N-]N=N1	REAL300019732816	0	43	-1.0	-50.45	358.97	3.68	-46.77
CCCC(NC(=O)CC1=CNC2=CC=CC(OC)=C12)C1=NN=N[N-]1	REAL300019732816	1	43	-1.0	-50.45	359.02	3.69	-46.76
CCCCCCCCC(C)CC(=O)NC(CCC)C1=N[N-]N=N1	REAL300019732817	0	55	-1.0	-44.78	424.34	8.00	-36.78
CCCCCCCCC(C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL300019732817	1	55	-1.0	-44.80	424.40	8.02	-36.78
CCCC(NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=N[N-]N=N1	REAL300019732818	0	47	-1.0	-44.04	384.31	5.36	-38.68
CCCC(NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=NN=N[N-]1	REAL300019732818	1	47	-1.0	-44.06	384.36	5.38	-38.68
CCCC(NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019732819	0	37	-1.0	-43.85	327.76	3.31	-40.54
CCCC(NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732819	1	37	-1.0	-43.84	327.82	3.32	-40.52
CCCC(NC(=O)CC1=CC=C(Br)C=C1C)C1=N[N-]N=N1	REAL300019732820	0	38	-1.0	-45.26	336.98	5.40	-39.86
CCCC(NC(=O)CC1=CC=C(Br)C=C1C)C1=NN=N[N-]1	REAL300019732820	1	38	-1.0	-45.30	337.03	5.41	-39.89
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019732821	0	46	-1.0	-50.06	385.43	4.52	-45.54
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019732821	1	46	-1.0	-50.07	385.49	4.53	-45.54
CCCC(NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=N[N-]N=N1	REAL300019732822	0	41	-1.0	-42.39	347.84	3.47	-38.92
CCCC(NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=NN=N[N-]1	REAL300019732822	1	41	-1.0	-42.39	347.90	3.48	-38.91
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300019732823	0	48	-1.0	-49.38	405.09	5.81	-43.57
CCCC(NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300019732823	1	48	-1.0	-49.31	405.03	5.79	-43.52
CCCC(NC(=O)C1=CC=CC(C2=NN=C(CCOC)O2)=C1)C1=N[N-]N=N1	REAL300019732824	0	47	-1.0	-54.58	402.35	0.12	-54.46
CCCC(NC(=O)C1=CC=CC(C2=NN=C(CCOC)O2)=C1)C1=NN=N[N-]1	REAL300019732824	1	47	-1.0	-54.62	402.40	0.13	-54.49
CCCC(NC(=O)C1=CC=NC(OC(C)CC)=C1)C1=NN=N[N-]1	REAL300019732825	0	44	-1.0	-47.39	364.50	3.03	-44.36
CCCC(NC(=O)C1=CC=NC(OC(C)CC)=C1)C1=N[N-]N=N1	REAL300019732825	1	44	-1.0	-47.38	364.44	3.01	-44.37
CCCC(NC(=O)C1=NOC(COC2=CC=CC(C(C)=O)=C2)=C1)C1=N[N-]N=N1	REAL300019732826	0	47	-1.0	-56.17	405.30	4.71	-51.46
CCCC(NC(=O)C1=NOC(COC2=CC=CC(C(C)=O)=C2)=C1)C1=NN=N[N-]1	REAL300019732826	1	47	-1.0	-56.19	405.36	4.73	-51.46
CCCC(NC(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019732827	0	59	-1.0	-59.22	459.69	5.67	-53.55
CCCC(NC(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019732827	1	59	-1.0	-59.20	459.75	5.68	-53.52
CCCC(NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732828	0	49	-1.0	-48.69	397.52	8.09	-40.60
CCCC(NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732828	1	49	-1.0	-48.67	397.58	8.10	-40.57
CCCC(NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=N[N-]N=N1	REAL300019732829	0	44	-1.0	-51.22	359.97	3.54	-47.68
CCCC(NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=NN=N[N-]1	REAL300019732829	1	44	-1.0	-51.27	360.03	3.56	-47.71
CCCC(NC(=O)CSC1=NC(C2=CC=CC(C)=C2)=NO1)C1=NN=N[N-]1	REAL300019732830	0	44	-1.0	-46.78	393.08	4.08	-42.70
CCCC(NC(=O)CSC1=NC(C2=CC=CC(C)=C2)=NO1)C1=N[N-]N=N1	REAL300019732830	1	44	-1.0	-46.80	393.02	4.06	-42.74
CCCC(NC(=O)C1=CC(Br)=NC=C1F)C1=NN=N[N-]1	REAL300019732831	0	31	-1.0	-43.90	295.64	2.45	-41.45
CCCC(NC(=O)C1=CC(Br)=NC=C1F)C1=N[N-]N=N1	REAL300019732831	1	31	-1.0	-43.90	295.58	2.44	-41.46
CCCC(NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019732832	0	39	-1.0	-49.83	336.73	5.84	-43.99
CCCC(NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019732832	1	39	-1.0	-49.86	336.79	5.85	-44.01
CCCC(NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=N[N-]N=N1	REAL300019732833	0	44	-1.0	-56.06	377.12	2.42	-53.64
CCCC(NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=NN=N[N-]1	REAL300019732833	1	44	-1.0	-56.06	377.17	2.43	-53.63
CCCC(NC(=O)C1=CC=C(Cl)C(OC)=C1)C1=N[N-]N=N1	REAL300019732834	0	36	-1.0	-44.70	319.78	3.47	-41.23
CCCC(NC(=O)C1=CC=C(Cl)C(OC)=C1)C1=NN=N[N-]1	REAL300019732834	1	36	-1.0	-44.73	319.84	3.49	-41.24
CCCC(NC(=O)C1=CC=C(CC)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019732835	0	44	-1.0	-59.08	363.09	2.34	-56.74
CCCC(NC(=O)C1=CC=C(CC)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019732835	1	44	-1.0	-59.04	363.15	2.36	-56.68
CCCC(NC(=O)C1=CC(OC)=C(Br)S1)C1=N[N-]N=N1	REAL300019732836	0	33	-1.0	-42.33	318.15	2.68	-39.65
CCCC(NC(=O)C1=CC(OC)=C(Br)S1)C1=NN=N[N-]1	REAL300019732836	1	33	-1.0	-42.33	318.21	2.69	-39.64
CCCC(NC(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=N[N-]N=N1	REAL300019732837	0	39	-1.0	-47.69	341.29	6.27	-41.42
CCCC(NC(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=NN=N[N-]1	REAL300019732837	1	39	-1.0	-47.73	341.34	6.29	-41.44
CCCC(NC(=O)C1COC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL300019732838	0	37	-1.0	-48.17	333.99	3.93	-44.24
CCCC(NC(=O)C1COC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL300019732838	1	37	-1.0	-48.21	334.05	3.95	-44.26
CCCC(NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019732839	0	40	-1.0	-52.50	354.83	-0.32	-52.82
CCCC(NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019732839	1	40	-1.0	-52.54	354.89	-0.31	-52.85
CCCC(NC(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019732840	0	35	-1.0	-47.17	317.44	4.43	-42.74
CCCC(NC(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019732840	1	35	-1.0	-47.19	317.38	4.41	-42.78
CCCC([N-]C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019732840	1	34	-2.0	-120.85	313.62	2.48	-118.37
CCCC(NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300019732841	0	40	-1.0	-48.70	339.71	5.96	-42.74
CCCC(NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300019732841	1	40	-1.0	-48.68	339.77	5.98	-42.70
CCCC(NC(=O)C1=CN=CC(I)=C1)C1=NN=N[N-]1	REAL300019732842	0	31	-1.0	-42.84	297.16	2.93	-39.91
CCCC(NC(=O)C1=CN=CC(I)=C1)C1=N[N-]N=N1	REAL300019732842	1	31	-1.0	-42.82	297.10	2.91	-39.91
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)C2)C1=O)C1=N[N-]N=N1	REAL300019732843	0	53	-1.0	-52.57	409.64	3.94	-48.63
CCCC(NC(=O)CN1C(=O)NC2(CC(C)CC(C)C2)C1=O)C1=NN=N[N-]1	REAL300019732843	1	53	-1.0	-52.59	409.69	3.95	-48.64
CCCC(NC(=O)CCCOCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019732844	0	49	-1.0	-50.68	405.35	4.46	-46.22
CCCC(NC(=O)CCCOCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019732844	1	49	-1.0	-50.71	405.41	4.48	-46.23
CCCC(NC(=O)C1=CC(Br)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019732845	0	37	-1.0	-53.87	334.69	5.06	-48.81
CCCC(NC(=O)C1=CC(Br)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019732845	1	37	-1.0	-53.87	334.63	5.04	-48.83
CCCC(NC(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019732846	0	50	-1.0	-50.72	411.49	8.07	-42.65
CCCC(NC(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019732846	1	50	-1.0	-50.73	411.54	8.08	-42.65
CCCC(NC(=O)CCC(=O)NC1CCCC1)C1=N[N-]N=N1	REAL300019732847	0	45	-1.0	-45.37	364.04	2.64	-42.73
CCCC(NC(=O)CCC(=O)NC1CCCC1)C1=NN=N[N-]1	REAL300019732847	1	45	-1.0	-45.43	364.10	2.66	-42.77
CCCC(NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=N[N-]N=N1	REAL300019732848	0	41	-1.0	-49.72	358.93	5.02	-44.70
CCCC(NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NN=N[N-]1	REAL300019732848	1	41	-1.0	-49.75	358.98	5.03	-44.72
CCCC(NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL300019732849	0	45	-1.0	-50.57	372.82	3.58	-46.99
CCCC(NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL300019732849	1	45	-1.0	-50.56	372.88	3.59	-46.97
CCCC(NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=N[N-]N=N1	REAL300019732850	0	38	-1.0	-55.81	329.41	4.51	-51.30
CCCC(NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=NN=N[N-]1	REAL300019732850	1	38	-1.0	-55.81	329.47	4.53	-51.28
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019732851	0	55	-1.0	-48.58	430.84	5.16	-43.42
CCCC(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019732851	1	55	-1.0	-48.57	430.90	5.17	-43.40
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=N[N-]N=N1	REAL300019732852	0	42	-1.0	-51.92	371.08	5.90	-46.02
CCCC(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=NN=N[N-]1	REAL300019732852	1	42	-1.0	-51.94	371.14	5.91	-46.03
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=NN=N[N-]1	REAL300019732853	0	38	-1.0	-49.81	352.23	3.92	-45.89
CCCC(NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=N[N-]N=N1	REAL300019732853	1	38	-1.0	-49.80	352.17	3.90	-45.90
CCCC(NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL300019732854	0	39	-1.0	-49.45	333.22	5.23	-44.22
CCCC(NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL300019732854	1	39	-1.0	-49.46	333.28	5.24	-44.22
CCCC(NC(=O)CC1=CC=CC2=CC=C(OC)C=C21)C1=N[N-]N=N1	REAL300019732855	0	45	-1.0	-49.96	370.93	5.72	-44.24
CCCC(NC(=O)CC1=CC=CC2=CC=C(OC)C=C21)C1=NN=N[N-]1	REAL300019732855	1	45	-1.0	-49.91	370.99	5.73	-44.18
CCCC(NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=N[N-]N=N1	REAL300019732856	0	43	-1.0	-48.10	349.04	4.21	-43.89
CCCC(NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=NN=N[N-]1	REAL300019732856	1	43	-1.0	-48.14	349.10	4.23	-43.91
CCCC(NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300019732857	0	41	-1.0	-60.80	355.10	6.06	-54.74
CCCC(NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300019732857	1	41	-1.0	-60.83	355.05	6.05	-54.78
CCCC(NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=N[N-]N=N1	REAL300019732858	0	48	-1.0	-51.56	397.83	5.98	-45.58
CCCC(NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=NN=N[N-]1	REAL300019732858	1	48	-1.0	-51.57	397.89	5.99	-45.58
CCCC(NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300019732859	0	41	-1.0	-45.99	369.36	5.37	-40.62
CCCC(NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300019732859	1	41	-1.0	-45.98	369.30	5.36	-40.62
CCCC(NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732860	0	55	-1.0	-57.10	427.47	5.21	-51.89
CCCC(NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732860	1	55	-1.0	-57.13	427.53	5.23	-51.90
CCCC(NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=NN=N[N-]1	REAL300019732861	0	41	-1.0	-44.55	353.69	4.12	-40.43
CCCC(NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=N[N-]N=N1	REAL300019732861	1	41	-1.0	-44.58	353.63	4.11	-40.47
CCCC(NC(=O)C1=C(CC)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019732862	0	41	-1.0	-46.61	349.06	5.46	-41.15
CCCC(NC(=O)C1=C(CC)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019732862	1	41	-1.0	-46.61	349.11	5.47	-41.14
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(OC)=C2)N1)C1=N[N-]N=N1	REAL300019732863	0	46	-1.0	-48.49	383.54	3.97	-44.52
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(OC)=C2)N1)C1=NN=N[N-]1	REAL300019732863	1	46	-1.0	-48.50	383.60	3.99	-44.51
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=N[N-]N=N1	REAL300019732864	0	45	-1.0	-55.61	392.51	-0.61	-56.22
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=NN=N[N-]1	REAL300019732864	1	45	-1.0	-55.63	392.56	-0.60	-56.23
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019732865	0	36	-1.0	-48.20	324.52	-3.33	-51.53
CCCC(NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019732865	1	36	-1.0	-48.21	324.46	-3.34	-51.55
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=NN=N[N-]1	REAL300019732866	0	39	-1.0	-48.62	355.49	6.52	-42.10
CCCC(NC(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=N[N-]N=N1	REAL300019732866	1	39	-1.0	-48.63	355.43	6.51	-42.12
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C(F)(F)F)=C2)N1)C1=N[N-]N=N1	REAL300019732867	0	45	-1.0	-47.34	393.11	5.68	-41.66
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C(F)(F)F)=C2)N1)C1=NN=N[N-]1	REAL300019732867	1	45	-1.0	-47.37	393.17	5.70	-41.67
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019732868	0	49	-1.0	-51.04	394.59	6.64	-44.40
CCCC(NC(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019732868	1	49	-1.0	-51.08	394.65	6.66	-44.42
CCCC(NC(=O)CC1=CNC2=CC=CC(Br)=C12)C1=N[N-]N=N1	REAL300019732869	0	39	-1.0	-47.85	346.79	4.79	-43.06
CCCC(NC(=O)CC1=CNC2=CC=CC(Br)=C12)C1=NN=N[N-]1	REAL300019732869	1	39	-1.0	-47.83	346.85	4.81	-43.02
CCCC(NC(=O)C(F)(F)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019732870	0	39	-1.0	-41.74	338.09	3.71	-38.03
CCCC(NC(=O)C(F)(F)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019732870	1	39	-1.0	-41.77	338.03	3.69	-38.08
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=N[N-]N=N1	REAL300019732871	0	41	-1.0	-49.05	363.69	4.28	-44.77
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=NN=N[N-]1	REAL300019732871	1	41	-1.0	-48.99	363.74	4.29	-44.70
CCCC(NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL300019732872	0	43	-1.0	-50.19	362.31	3.64	-46.55
CCCC(NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL300019732872	1	43	-1.0	-50.20	362.37	3.65	-46.55
CCCC(NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732873	0	55	-1.0	-42.89	442.64	5.79	-37.10
CCCC(NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732873	1	55	-1.0	-42.90	442.71	5.80	-37.10
CCCC(NC(=O)C1=CC(OC)=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL300019732874	0	41	-1.0	-46.98	343.65	0.68	-46.30
CCCC(NC(=O)C1=CC(OC)=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL300019732874	1	41	-1.0	-46.96	343.71	0.69	-46.27
CCCC(NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=N[N-]N=N1	REAL300019732875	0	35	-1.0	-49.46	306.46	2.01	-47.45
CCCC(NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=NN=N[N-]1	REAL300019732875	1	35	-1.0	-49.44	306.52	2.03	-47.41
CCCC(NC(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=NN=N[N-]1	REAL300019732876	0	47	-1.0	-52.87	377.42	3.27	-49.60
CCCC(NC(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=N[N-]N=N1	REAL300019732876	1	47	-1.0	-52.83	377.36	3.24	-49.59
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300019732877	0	35	-1.0	-44.14	313.74	4.80	-39.34
CCCC(NC(=O)C1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300019732877	1	35	-1.0	-44.16	313.80	4.81	-39.35
CCCC(NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019732878	0	42	-1.0	-52.06	367.26	7.38	-44.68
CCCC(NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019732878	1	42	-1.0	-52.07	367.32	7.40	-44.67
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)CC)C=C1)C1=N[N-]N=N1	REAL300019732879	0	47	-1.0	-51.35	402.48	3.52	-47.83
CCCC(NC(=O)CCC1=CC=C(S(=O)(=O)CC)C=C1)C1=NN=N[N-]1	REAL300019732879	1	47	-1.0	-51.35	402.54	3.55	-47.80
CCCC(NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300019732880	0	50	-1.0	-48.40	396.00	7.53	-40.87
CCCC(NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300019732880	1	50	-1.0	-48.43	396.05	7.55	-40.88
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300019732881	0	32	-1.0	-43.98	301.40	4.27	-39.71
CCCC(NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300019732881	1	32	-1.0	-43.96	301.46	4.28	-39.68
CCCC(NC(=O)C1=C(C)N=C(N(C)C)S1)C1=N[N-]N=N1	REAL300019732882	0	39	-1.0	-47.61	335.82	3.16	-44.45
CCCC(NC(=O)C1=C(C)N=C(N(C)C)S1)C1=NN=N[N-]1	REAL300019732882	1	39	-1.0	-47.69	335.88	3.18	-44.51
CCCC(NC(=O)C1=CC(C(=O)OCC)=CN=C1C)C1=N[N-]N=N1	REAL300019732883	0	43	-1.0	-43.73	362.37	4.06	-39.67
CCCC(NC(=O)C1=CC(C(=O)OCC)=CN=C1C)C1=NN=N[N-]1	REAL300019732883	1	43	-1.0	-43.72	362.43	4.07	-39.65
CCCC(NC(=O)C(C)N1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019732884	0	44	-1.0	-47.29	345.26	3.80	-43.49
CCCC(NC(=O)C(C)N1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019732884	1	44	-1.0	-47.31	345.32	3.81	-43.50
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=N[N-]N=N1	REAL300019732885	0	44	-1.0	-54.98	400.58	7.45	-47.53
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=NN=N[N-]1	REAL300019732885	1	44	-1.0	-54.91	400.63	7.47	-47.44
CCCC(NC(=O)C1=CN=C(C2CCCO2)S1)C1=N[N-]N=N1	REAL300019732886	0	39	-1.0	-46.23	339.99	1.77	-44.46
CCCC(NC(=O)C1=CN=C(C2CCCO2)S1)C1=NN=N[N-]1	REAL300019732886	1	39	-1.0	-46.24	340.05	1.78	-44.46
CCCC(NC(=O)C1=CC(F)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019732887	0	37	-1.0	-53.61	319.84	4.52	-49.09
CCCC(NC(=O)C1=CC(F)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019732887	1	37	-1.0	-53.58	319.78	4.51	-49.07
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)=O)C=C2)C=C1)C1=N[N-]N=N1	REAL300019732888	0	48	-1.0	-47.05	405.52	6.98	-40.07
CCCC(NC(=O)C1=CC=C(OC2=CC=C(C(C)=O)C=C2)C=C1)C1=NN=N[N-]1	REAL300019732888	1	48	-1.0	-47.02	405.58	7.01	-40.01
CCCC(NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=NN=N[N-]1	REAL300019732889	0	38	-1.0	-47.10	338.62	1.74	-45.36
CCCC(NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=N[N-]N=N1	REAL300019732889	1	38	-1.0	-47.10	338.56	1.73	-45.37
CCCC(NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL300019732890	0	44	-1.0	-45.86	353.50	0.62	-45.24
CCCC(NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL300019732890	1	44	-1.0	-45.90	353.44	0.60	-45.30
CCCC(NC(=O)C1=CC=CC(C)=C1Br)C1=N[N-]N=N1	REAL300019732891	0	35	-1.0	-48.10	308.76	4.81	-43.29
CCCC(NC(=O)C1=CC=CC(C)=C1Br)C1=NN=N[N-]1	REAL300019732891	1	35	-1.0	-48.11	308.82	4.82	-43.29
CCCC(NC(=O)C1CCC2CCCCC2C1)C1=N[N-]N=N1	REAL300019732892	0	48	-1.0	-46.03	355.35	6.03	-40.00
CCCC(NC(=O)C1CCC2CCCCC2C1)C1=NN=N[N-]1	REAL300019732892	1	48	-1.0	-46.02	355.41	6.05	-39.97
CCCC(NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019732893	0	48	-1.0	-40.99	387.71	2.10	-38.89
CCCC(NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019732893	1	48	-1.0	-41.02	387.77	2.12	-38.90
CCCC(NC(=O)CCCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300019732894	0	41	-1.0	-48.29	353.68	5.98	-42.31
CCCC(NC(=O)CCCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300019732894	1	41	-1.0	-48.29	353.74	6.00	-42.29
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019732895	0	45	-1.0	-53.55	396.22	6.71	-46.84
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019732895	1	45	-1.0	-53.54	396.28	6.72	-46.82
CCCC(NC(=O)C(C)CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019732896	0	45	-1.0	-45.45	365.23	4.86	-40.59
CCCC(NC(=O)C(C)CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019732896	1	45	-1.0	-45.45	365.29	4.89	-40.56
CCCC(NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019732897	0	46	-1.0	-51.41	386.02	5.65	-45.76
CCCC(NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019732897	1	46	-1.0	-51.40	386.07	5.66	-45.74
CCCC(NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300019732898	0	53	-1.0	-46.88	422.97	8.57	-38.31
CCCC(NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300019732898	1	53	-1.0	-46.89	423.02	8.58	-38.31
CCCC(NC(=O)CC(C)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL300019732899	0	43	-1.0	-44.49	345.47	4.14	-40.35
CCCC(NC(=O)CC(C)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL300019732899	1	43	-1.0	-44.52	345.53	4.15	-40.37
CCCC(NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019732900	0	47	-1.0	-47.34	367.85	6.44	-40.90
CCCC(NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732900	1	47	-1.0	-47.36	367.91	6.45	-40.91
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1OC)C1=N[N-]N=N1	REAL300019732901	0	49	-1.0	-51.06	399.61	4.54	-46.52
CCCC(NC(=O)CCCC1=CC=C(OC)C=C1OC)C1=NN=N[N-]1	REAL300019732901	1	49	-1.0	-51.04	399.67	4.57	-46.47
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C1=N[N-]N=N1	REAL300019732902	0	41	-1.0	-53.62	356.43	2.02	-51.60
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C1=NN=N[N-]1	REAL300019732902	1	41	-1.0	-53.65	356.49	2.04	-51.61
CCCC(NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=N[N-]N=N1	REAL300019732903	0	40	-1.0	-49.47	340.26	0.50	-48.97
CCCC(NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=NN=N[N-]1	REAL300019732903	1	40	-1.0	-49.47	340.32	0.52	-48.95
CCCC(NC(=O)CC(C)C1=C(C)NN=C1C)C1=NN=N[N-]1	REAL300019732904	0	44	-1.0	-45.84	347.77	2.90	-42.94
CCCC(NC(=O)CC(C)C1=C(C)NN=C1C)C1=N[N-]N=N1	REAL300019732904	1	44	-1.0	-45.83	347.71	2.88	-42.95
CCCC(NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL300019732905	0	42	-1.0	-44.50	345.98	3.58	-40.92
CCCC(NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=N[N-]N=N1	REAL300019732905	1	42	-1.0	-44.49	345.93	3.57	-40.92
CCCC(NC(=O)C1CCCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL300019732906	0	43	-1.0	-48.52	352.02	2.61	-45.91
CCCC(NC(=O)C1CCCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL300019732906	1	43	-1.0	-48.50	352.08	2.63	-45.87
CCCC(NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL300019732907	0	38	-1.0	-60.21	326.69	3.55	-56.66
CCCC(NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL300019732907	1	38	-1.0	-60.28	326.64	3.53	-56.75
CCCC(NC(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732908	0	35	-1.0	-42.27	334.63	5.24	-37.03
CCCC(NC(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732908	1	35	-1.0	-42.25	334.69	5.25	-37.00
CCCC(NC(=O)CC1COC2=CC(OC)=CC=C21)C1=N[N-]N=N1	REAL300019732909	0	44	-1.0	-48.40	361.40	3.39	-45.01
CCCC(NC(=O)CC1COC2=CC(OC)=CC=C21)C1=NN=N[N-]1	REAL300019732909	1	44	-1.0	-48.39	361.46	3.40	-44.99
CCCC(NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL300019732910	0	45	-1.0	-46.94	360.33	4.77	-42.17
CCCC(NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL300019732910	1	45	-1.0	-46.89	360.38	4.79	-42.10
CCCC(NC(=O)C1=CN(C2=NC(CC)=CS2)N=C1)C1=NN=N[N-]1	REAL300019732911	0	41	-1.0	-49.42	365.65	4.33	-45.09
CCCC(NC(=O)C1=CN(C2=NC(CC)=CS2)N=C1)C1=N[N-]N=N1	REAL300019732911	1	41	-1.0	-49.38	365.59	4.31	-45.07
CCCC(NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=NN=N[N-]1	REAL300019732912	0	38	-1.0	-63.08	332.07	5.06	-58.02
CCCC(NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=N[N-]N=N1	REAL300019732912	1	38	-1.0	-63.05	332.01	5.05	-58.00
CCCC(NC(=O)C(C)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019732913	0	38	-1.0	-47.79	322.21	4.85	-42.94
CCCC(NC(=O)C(C)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019732913	1	38	-1.0	-47.79	322.27	4.86	-42.93
CCCC(NC(=O)CC1=CC=CC(OCC#N)=C1)C1=N[N-]N=N1	REAL300019732914	0	40	-1.0	-50.89	349.66	4.31	-46.58
CCCC(NC(=O)CC1=CC=CC(OCC#N)=C1)C1=NN=N[N-]1	REAL300019732914	1	40	-1.0	-50.84	349.68	4.32	-46.52
CCCC(NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=NN=N[N-]1	REAL300019732915	0	42	-1.0	-49.89	363.56	4.09	-45.80
CCCC(NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=N[N-]N=N1	REAL300019732915	1	42	-1.0	-49.86	363.50	4.07	-45.79
CCCC(NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=N[N-]N=N1	REAL300019732916	0	43	-1.0	-48.15	350.00	4.51	-43.64
CCCC(NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=NN=N[N-]1	REAL300019732916	1	43	-1.0	-48.20	350.06	4.53	-43.67
CCCC(NC(=O)C1=C(C)N(CCOC2CCCCO2)N=C1)C1=N[N-]N=N1	REAL300019732917	0	53	-1.0	-47.86	425.25	4.11	-43.75
CCCC(NC(=O)C1=C(C)N(CCOC2CCCCO2)N=C1)C1=NN=N[N-]1	REAL300019732917	1	53	-1.0	-47.90	425.31	4.13	-43.77
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=NN=N[N-]1	REAL300019732918	0	37	-1.0	-44.58	322.07	4.09	-40.49
CCCC(NC(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=N[N-]N=N1	REAL300019732918	1	37	-1.0	-44.58	322.01	4.07	-40.51
CCCC(NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL300019732919	0	38	-1.0	-51.30	336.60	1.61	-49.69
CCCC(NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL300019732919	1	38	-1.0	-51.26	336.54	1.60	-49.66
CCCC(NC(=O)CCC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300019732920	0	38	-1.0	-44.40	347.07	5.75	-38.65
CCCC(NC(=O)CCC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300019732920	1	38	-1.0	-44.39	347.13	5.77	-38.62
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C(C)=C1)C1=N[N-]N=N1	REAL300019732921	0	42	-1.0	-49.17	387.84	6.41	-42.76
CCCC(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C(C)=C1)C1=NN=N[N-]1	REAL300019732921	1	42	-1.0	-49.16	387.90	6.43	-42.73
CCCC(NC(=O)C1=NN(C(CC)CC)C(C)=C1)C1=N[N-]N=N1	REAL300019732922	0	47	-1.0	-50.46	379.95	4.96	-45.50
CCCC(NC(=O)C1=NN(C(CC)CC)C(C)=C1)C1=NN=N[N-]1	REAL300019732922	1	47	-1.0	-50.49	380.00	4.97	-45.52
CCCC(NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=N[N-]N=N1	REAL300019732923	0	48	-1.0	-50.05	383.07	5.31	-44.74
CCCC(NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=NN=N[N-]1	REAL300019732923	1	48	-1.0	-50.10	383.13	5.33	-44.77
CCCC(NC(=O)C(C)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019732924	0	41	-1.0	-47.95	349.57	5.97	-41.98
CCCC(NC(=O)C(C)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019732924	1	41	-1.0	-47.94	349.62	5.99	-41.95
CCCC(NC(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019732925	0	43	-1.0	-52.76	393.92	6.69	-46.07
CCCC(NC(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019732925	1	43	-1.0	-52.79	393.97	6.70	-46.09
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300019732926	0	43	-1.0	-55.89	364.10	5.26	-50.63
CCCC(NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300019732926	1	43	-1.0	-55.86	364.16	5.28	-50.58
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300019732927	0	35	-1.0	-47.66	313.19	4.41	-43.25
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300019732927	1	35	-1.0	-47.65	313.13	4.39	-43.26
CCCC(NC(=O)C1=C(C)N=C(COC)S1)C1=N[N-]N=N1	REAL300019732928	0	38	-1.0	-44.94	334.08	1.15	-43.79
CCCC(NC(=O)C1=C(C)N=C(COC)S1)C1=NN=N[N-]1	REAL300019732928	1	38	-1.0	-44.95	334.14	1.16	-43.79
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=N[N-]N=N1	REAL300019732929	0	45	-1.0	-46.56	375.48	5.34	-41.22
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=NN=N[N-]1	REAL300019732929	1	45	-1.0	-46.56	375.53	5.35	-41.21
CCCC(NC(=O)CS(=O)(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300019732930	0	40	-1.0	-60.85	335.71	0.30	-60.55
CCCC(NC(=O)CS(=O)(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300019732930	1	40	-1.0	-60.82	335.77	0.31	-60.51
CCCC(NC(=O)CSC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL300019732931	0	40	-1.0	-50.51	346.14	4.10	-46.41
CCCC(NC(=O)CSC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL300019732931	1	40	-1.0	-50.53	346.20	4.11	-46.42
CCCC(NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019732932	0	41	-1.0	-43.58	352.41	6.08	-37.50
CCCC(NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019732932	1	41	-1.0	-43.62	352.47	6.10	-37.52
CCCC(NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=NN=N[N-]1	REAL300019732933	0	38	-1.0	-46.89	336.33	1.62	-45.27
CCCC(NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=N[N-]N=N1	REAL300019732933	1	38	-1.0	-46.89	336.27	1.60	-45.29
CCCC(NC(=O)C1=C(C)N(C2=CC=NC=C2)N=C1)C1=N[N-]N=N1	REAL300019732934	0	41	-1.0	-46.30	345.24	3.42	-42.88
CCCC(NC(=O)C1=C(C)N(C2=CC=NC=C2)N=C1)C1=NN=N[N-]1	REAL300019732934	1	41	-1.0	-46.28	345.30	3.43	-42.85
CCCC(NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300019732935	0	44	-1.0	-47.90	378.77	4.27	-43.63
CCCC(NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300019732935	1	44	-1.0	-47.93	378.83	4.29	-43.64
CCCC(NC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1)C1=N[N-]N=N1	REAL300019732936	0	61	-1.0	-50.29	448.36	4.86	-45.43
CCCC(NC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1)C1=NN=N[N-]1	REAL300019732936	1	61	-1.0	-50.28	448.42	4.88	-45.40
CCCC(NC(=O)CC1=C(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019732937	0	41	-1.0	-51.20	347.20	5.43	-45.77
CCCC(NC(=O)CC1=C(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019732937	1	41	-1.0	-51.16	347.25	5.45	-45.71
CCCC(NC(=O)CC1=CC=CC(S(=O)(=O)CC)=C1)C1=N[N-]N=N1	REAL300019732938	0	44	-1.0	-55.58	381.08	2.71	-52.87
CCCC(NC(=O)CC1=CC=CC(S(=O)(=O)CC)=C1)C1=NN=N[N-]1	REAL300019732938	1	44	-1.0	-55.61	381.14	2.72	-52.89
CCCC(NC(=O)C(CC)C1CCC(C)CC1)C1=N[N-]N=N1	REAL300019732939	0	50	-1.0	-46.22	364.53	5.95	-40.27
CCCC(NC(=O)C(CC)C1CCC(C)CC1)C1=NN=N[N-]1	REAL300019732939	1	50	-1.0	-46.20	364.59	5.97	-40.23
CCCC(NC(=O)C1=NN(CC(C)C)C(=O)CC1)C1=N[N-]N=N1	REAL300019732940	0	45	-1.0	-41.78	367.04	3.30	-38.48
CCCC(NC(=O)C1=NN(CC(C)C)C(=O)CC1)C1=NN=N[N-]1	REAL300019732940	1	45	-1.0	-41.77	367.09	3.32	-38.45
CCCC(NC(=O)CCC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300019732941	0	48	-1.0	-47.90	400.17	4.11	-43.79
CCCC(NC(=O)CCC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300019732941	1	48	-1.0	-47.90	400.23	4.13	-43.77
CCCC(NC(=O)C1=CC(C)=CC(C)=C1Br)C1=N[N-]N=N1	REAL300019732942	0	38	-1.0	-47.67	330.15	5.47	-42.20
CCCC(NC(=O)C1=CC(C)=CC(C)=C1Br)C1=NN=N[N-]1	REAL300019732942	1	38	-1.0	-47.66	330.21	5.49	-42.17
CCCC(NC(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019732943	0	39	-1.0	-51.20	337.92	5.76	-45.44
CCCC(NC(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019732943	1	39	-1.0	-51.21	337.98	5.77	-45.44
CCCC(NC(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019732944	0	36	-1.0	-44.58	327.81	5.00	-39.58
CCCC(NC(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019732944	1	36	-1.0	-44.55	327.87	5.01	-39.54
CCCC(NC(=O)C1=CC=C(OC)C(Cl)=N1)C1=NN=N[N-]1	REAL300019732945	0	35	-1.0	-45.71	317.35	1.71	-44.00
CCCC(NC(=O)C1=CC=C(OC)C(Cl)=N1)C1=N[N-]N=N1	REAL300019732945	1	35	-1.0	-45.71	317.29	1.69	-44.02
CCCC(NC(=O)C1=CC=C(I)C(O)=C1)C1=N[N-]N=N1	REAL300019732946	0	33	-1.0	-44.88	311.98	1.92	-42.96
CCCC(NC(=O)C1=CC=C(I)C(O)=C1)C1=NN=N[N-]1	REAL300019732946	1	33	-1.0	-44.88	312.04	1.94	-42.94
CCCC(NC(=O)C1=CC=C(I)C([O-])=C1)C1=N[N-]N=N1	REAL300019732946	1	32	-2.0	-88.88	308.41	2.67	-86.21
CCCC(NC(=O)C1=CC=C(I)C([O-])=C1)C1=NN=N[N-]1	REAL300019732946	1	32	-2.0	-88.89	308.47	2.68	-86.21
CCCC(NC(=O)C(CC)CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300019732947	0	46	-1.0	-54.05	383.59	6.86	-47.19
CCCC(NC(=O)C(CC)CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300019732947	1	46	-1.0	-54.01	383.65	6.88	-47.13
CCCC(NC(=O)C(=O)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL300019732948	0	38	-1.0	-45.72	322.17	4.01	-41.71
CCCC(NC(=O)C(=O)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL300019732948	1	38	-1.0	-45.74	322.23	4.03	-41.71
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NN=N[N-]1	REAL300019732949	0	39	-1.0	-46.22	345.49	4.83	-41.39
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=N[N-]N=N1	REAL300019732949	1	39	-1.0	-46.22	345.43	4.81	-41.41
CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL300019732950	0	50	0.0	-69.96	360.37	5.28	-64.68
CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL300019732950	1	50	0.0	-69.99	360.44	5.29	-64.70
CCCC(NC(=O)C1=C2SC=CC2=CC=C1)C1=NN=N[N-]1	REAL300019732951	0	35	-1.0	-51.07	308.83	4.99	-46.08
CCCC(NC(=O)C1=C2SC=CC2=CC=C1)C1=N[N-]N=N1	REAL300019732951	1	35	-1.0	-51.08	308.77	4.98	-46.10
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=NN=N[N-]1	REAL300019732952	0	35	-1.0	-40.73	308.01	1.64	-39.09
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=N[N-]N=N1	REAL300019732952	1	35	-1.0	-40.72	307.95	1.62	-39.10
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=N[N-]N=N1	REAL300019732953	0	46	-1.0	-46.32	361.93	4.90	-41.42
CCCC(NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=NN=N[N-]1	REAL300019732953	1	46	-1.0	-46.31	361.99	4.92	-41.39
CCCC(NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300019732954	0	41	-1.0	-46.86	371.67	3.41	-43.45
CCCC(NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300019732954	1	41	-1.0	-46.84	371.62	3.39	-43.45
CCCC(NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=N[N-]N=N1	REAL300019732955	0	42	-1.0	-61.67	371.26	5.31	-56.36
CCCC(NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=NN=N[N-]1	REAL300019732955	1	42	-1.0	-61.71	371.32	5.32	-56.39
CCCC(NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=N[N-]N=N1	REAL300019732956	0	48	-1.0	-52.11	402.32	5.09	-47.02
CCCC(NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=NN=N[N-]1	REAL300019732956	1	48	-1.0	-52.08	402.38	5.11	-46.97
CCCC(NC(=O)C1=CC=CC(CNC2=CC=[NH+]C(C)=N2)=C1)C1=NN=N[N-]1	REAL300019732956	1	49	0.0	-66.87	405.51	5.56	-61.31
CCCC(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300019732957	0	37	-2.0	-85.56	344.23	-0.17	-85.73
CCCC(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300019732957	1	37	-2.0	-85.56	344.29	-0.15	-85.71
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL300019732958	0	36	-2.0	-89.24	317.42	1.59	-87.65
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL300019732958	1	36	-2.0	-89.26	317.48	1.60	-87.66
CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019732959	0	32	-2.0	-88.93	303.92	2.19	-86.74
CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019732959	1	32	-2.0	-88.92	303.98	2.21	-86.71
CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019732960	0	50	0.0	-59.12	372.91	5.62	-53.50
CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019732960	1	50	0.0	-59.88	372.91	5.62	-54.26
CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019732960	1	50	0.0	-59.12	372.97	5.64	-53.48
CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019732960	1	50	0.0	-59.91	372.97	5.64	-54.27
CCCC(NC(=O)COC1CCCCC1CC)C1=N[N-]N=N1	REAL300019732961	0	48	-1.0	-48.46	373.25	5.58	-42.88
CCCC(NC(=O)COC1CCCCC1CC)C1=NN=N[N-]1	REAL300019732961	1	48	-1.0	-48.44	373.31	5.60	-42.84
CCCC(NC(=O)C(=O)C1=CC=C(OC)C(Cl)=C1)C1=N[N-]N=N1	REAL300019732962	0	38	-1.0	-43.47	340.21	3.31	-40.16
CCCC(NC(=O)C(=O)C1=CC=C(OC)C(Cl)=C1)C1=NN=N[N-]1	REAL300019732962	1	38	-1.0	-43.49	340.27	3.33	-40.16
CCCC(NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300019732963	0	42	-1.0	-47.09	354.47	3.46	-43.63
CCCC(NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300019732963	1	42	-1.0	-47.12	354.41	3.45	-43.67
CCCC(NC(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300019732964	0	49	-1.0	-60.06	406.48	4.87	-55.19
CCCC(NC(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300019732964	1	49	-1.0	-60.08	406.54	4.89	-55.19
CCCC(NC(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019732965	0	51	-1.0	-48.13	417.55	2.21	-45.92
CCCC(NC(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019732965	1	51	-1.0	-48.13	417.61	2.22	-45.91
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019732966	0	42	-1.0	-51.40	371.04	4.39	-47.01
CCCC(NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019732966	1	42	-1.0	-51.43	371.09	4.41	-47.02
CCCC(NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=NN=N[N-]1	REAL300019732967	0	43	-1.0	-48.25	358.36	0.90	-47.35
CCCC(NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=N[N-]N=N1	REAL300019732967	1	43	-1.0	-48.25	358.30	0.89	-47.36
CCCC(NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019732968	0	44	-1.0	-47.19	380.55	6.89	-40.30
CCCC(NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019732968	1	44	-1.0	-47.21	380.61	6.90	-40.31
CCCC(NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019732969	0	36	-1.0	-50.90	322.05	0.31	-50.59
CCCC(NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019732969	1	36	-1.0	-50.87	321.99	0.29	-50.58
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019732970	0	52	-1.0	-53.19	405.83	7.43	-45.76
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019732970	1	52	-1.0	-53.24	405.89	7.44	-45.80
CCCC(NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=N[N-]N=N1	REAL300019732971	0	42	-1.0	-44.59	351.55	4.19	-40.40
CCCC(NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=NN=N[N-]1	REAL300019732971	1	42	-1.0	-44.60	351.60	4.21	-40.39
CCCC(NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300019732972	0	40	-1.0	-44.76	354.07	2.51	-42.25
CCCC(NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300019732972	1	40	-1.0	-44.75	354.13	2.52	-42.23
CCCC(NC(=O)CN1C(C)=CC(C)=NC1=O)C1=N[N-]N=N1	REAL300019732973	0	40	-1.0	-68.47	336.70	1.78	-66.69
CCCC(NC(=O)CN1C(C)=CC(C)=NC1=O)C1=NN=N[N-]1	REAL300019732973	1	40	-1.0	-68.51	336.76	1.79	-66.72
CCCC(NC(=O)C1=CC(Br)=C(C)NC1=O)C1=N[N-]N=N1	REAL300019732974	0	35	-1.0	-52.60	315.71	1.94	-50.66
CCCC(NC(=O)C1=CC(Br)=C(C)NC1=O)C1=NN=N[N-]1	REAL300019732974	1	35	-1.0	-52.61	315.77	1.96	-50.65
CCCC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL300019732975	0	40	-2.0	-90.31	344.01	0.88	-89.43
CCCC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=NN=N[N-]1	REAL300019732975	1	40	-2.0	-90.30	344.07	0.89	-89.41
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NCC)C=C1)C1=N[N-]N=N1	REAL300019732976	0	46	-1.0	-53.27	396.57	1.32	-51.95
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NCC)C=C1)C1=NN=N[N-]1	REAL300019732976	1	46	-1.0	-53.23	396.63	1.34	-51.89
CCCC(NC(=O)C1=CC=CC(I)=C1[O-])C1=N[N-]N=N1	REAL300019732977	0	32	-2.0	-107.17	306.26	4.27	-102.90
CCCC(NC(=O)C1=CC=CC(I)=C1[O-])C1=NN=N[N-]1	REAL300019732977	1	32	-2.0	-107.21	306.32	4.28	-102.93
CCCC(NC(=O)C1=CC=CC(I)=C1O)C1=N[N-]N=N1	REAL300019732977	1	33	-1.0	-46.51	309.83	3.27	-43.24
CCCC(NC(=O)C1=CC=CC(I)=C1O)C1=NN=N[N-]1	REAL300019732977	1	33	-1.0	-46.50	309.89	3.29	-43.21
CCCC(NC(=O)CC1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL300019732978	0	40	-1.0	-47.47	334.89	3.59	-43.88
CCCC(NC(=O)CC1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL300019732978	1	40	-1.0	-47.49	334.95	3.60	-43.89
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NC)C=C1)C1=N[N-]N=N1	REAL300019732979	0	43	-1.0	-53.61	375.53	0.47	-53.14
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)NC)C=C1)C1=NN=N[N-]1	REAL300019732979	1	43	-1.0	-53.61	375.59	0.48	-53.13
CCCC(NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019732980	0	39	-1.0	-48.13	352.77	6.29	-41.84
CCCC(NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019732980	1	39	-1.0	-48.12	352.82	6.30	-41.82
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019732981	0	35	-1.0	-44.18	317.00	4.89	-39.29
CCCC(NC(=O)C1=CC(C)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019732981	1	35	-1.0	-44.11	317.05	4.91	-39.20
CCCC(NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300019732982	0	40	-1.0	-42.27	348.11	5.53	-36.74
CCCC(NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300019732982	1	40	-1.0	-42.23	348.17	5.55	-36.68
CCCC(NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=NN=N[N-]1	REAL300019732983	0	37	-1.0	-46.47	317.37	2.23	-44.24
CCCC(NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=N[N-]N=N1	REAL300019732983	1	37	-1.0	-46.44	317.31	2.22	-44.22
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019732984	0	42	-1.0	-55.80	365.63	6.21	-49.59
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019732984	1	42	-1.0	-55.80	365.57	6.20	-49.60
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019732985	0	43	-1.0	-43.29	372.60	6.06	-37.23
CCCC(NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019732985	1	43	-1.0	-43.30	372.65	6.09	-37.21
CCCC(NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=N[N-]N=N1	REAL300019732986	0	40	-1.0	-48.39	351.48	4.65	-43.74
CCCC(NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=NN=N[N-]1	REAL300019732986	1	40	-1.0	-48.34	351.53	4.67	-43.67
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019732987	0	53	-1.0	-54.29	413.72	6.07	-48.22
CCCC(NC(=O)CC(C)(C)CC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019732987	1	53	-1.0	-54.31	413.78	6.08	-48.23
CCCC(NC(=O)C1=COC(C2CCOCC2)=N1)C1=N[N-]N=N1	REAL300019732988	0	42	-1.0	-45.04	350.17	-0.18	-45.22
CCCC(NC(=O)C1=COC(C2CCOCC2)=N1)C1=NN=N[N-]1	REAL300019732988	1	42	-1.0	-45.02	350.23	-0.16	-45.18
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=N[N-]N=N1	REAL300019732989	0	43	-2.0	-111.06	375.08	1.15	-109.91
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=NN=N[N-]1	REAL300019732989	1	43	-2.0	-111.04	375.13	1.17	-109.87
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1O)C1=N[N-]N=N1	REAL300019732989	1	44	-1.0	-50.15	379.39	0.11	-50.04
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1O)C1=NN=N[N-]1	REAL300019732989	1	44	-1.0	-50.10	379.44	0.12	-49.98
CCCC(NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=NN=N[N-]1	REAL300019732990	0	45	-1.0	-44.25	367.28	3.52	-40.73
CCCC(NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=N[N-]N=N1	REAL300019732990	1	45	-1.0	-44.26	367.22	3.51	-40.75
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=NN=N[N-]1	REAL300019732991	0	41	-1.0	-42.78	385.96	3.91	-38.87
CCCC(NC(=O)C1=C(C)OC(C2=CC=C(Cl)C(Cl)=C2)=N1)C1=N[N-]N=N1	REAL300019732991	1	41	-1.0	-42.83	385.90	3.89	-38.94
CCCC(NC(=O)CCCCC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019732992	0	50	-1.0	-48.78	412.84	5.81	-42.97
CCCC(NC(=O)CCCCC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019732992	1	50	-1.0	-48.80	412.89	5.82	-42.98
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL300019732993	0	47	-1.0	-55.30	398.74	3.33	-51.97
CCCC(NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL300019732993	1	47	-1.0	-55.27	398.80	3.35	-51.92
CCCC(NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300019732994	0	38	-1.0	-48.10	325.88	5.35	-42.75
CCCC(NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300019732994	1	38	-1.0	-48.09	325.94	5.37	-42.72
CCCC(NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=N[N-]N=N1	REAL300019732995	0	37	-1.0	-43.81	317.46	4.21	-39.60
CCCC(NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=NN=N[N-]1	REAL300019732995	1	37	-1.0	-43.84	317.52	4.23	-39.61
CCCC(NC(=O)CC1CCOC(C(C)C)C1)C1=N[N-]N=N1	REAL300019732996	0	48	-1.0	-45.46	368.77	4.29	-41.17
CCCC(NC(=O)CC1CCOC(C(C)C)C1)C1=NN=N[N-]1	REAL300019732996	1	48	-1.0	-45.44	368.83	4.30	-41.14
CCCC(NC(=O)CNC(=O)C1=C(C)OC=C1)C1=N[N-]N=N1	REAL300019732997	0	39	-1.0	-45.27	334.94	0.90	-44.37
CCCC(NC(=O)CNC(=O)C1=C(C)OC=C1)C1=NN=N[N-]1	REAL300019732997	1	39	-1.0	-45.26	335.00	0.91	-44.35
CCCC(NC(=O)CSC1=NN=C2C=CC=CN21)C1=NN=N[N-]1	REAL300019732998	0	38	-1.0	-51.85	342.81	5.28	-46.57
CCCC(NC(=O)CSC1=NN=C2C=CC=CN21)C1=N[N-]N=N1	REAL300019732998	1	38	-1.0	-51.82	342.75	5.27	-46.55
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019732999	0	42	-2.0	-124.47	372.39	4.28	-120.19
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019732999	1	42	-2.0	-124.47	372.45	4.29	-120.18
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=N[N-]N=N1	REAL300019733000	0	39	-1.0	-46.39	350.94	5.37	-41.02
CCCC(NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=NN=N[N-]1	REAL300019733000	1	39	-1.0	-46.38	351.00	5.38	-41.00
CCCC(NC(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300019734202	0	34	-1.0	-47.53	325.22	3.57	-43.96
CCCC(NC(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300019734202	1	34	-1.0	-47.50	325.16	3.56	-43.94
CCCC(NC(=O)C1=CC=C(F)C2=CC=NC=C12)C1=NN=N[N-]1	REAL300019734203	0	37	-1.0	-47.64	316.55	4.14	-43.50
CCCC(NC(=O)C1=CC=C(F)C2=CC=NC=C12)C1=N[N-]N=N1	REAL300019734203	1	37	-1.0	-47.66	316.50	4.12	-43.54
CCCC(NC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1=NN=N[N-]1	REAL300019734204	0	35	-1.0	-47.80	338.39	4.81	-42.99
CCCC(NC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1=N[N-]N=N1	REAL300019734204	1	35	-1.0	-47.83	338.34	4.80	-43.03
CCCC(NC(=O)CCC1=CSC=C1Br)C1=N[N-]N=N1	REAL300019734205	0	35	-1.0	-43.68	329.69	4.58	-39.10
CCCC(NC(=O)CCC1=CSC=C1Br)C1=NN=N[N-]1	REAL300019734205	1	35	-1.0	-43.68	329.75	4.60	-39.08
CCCC(NC(=O)C1=CC(Br)=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL300019734206	0	44	-1.0	-44.53	373.40	4.74	-39.79
CCCC(NC(=O)C1=CC(Br)=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL300019734206	1	44	-1.0	-44.51	373.46	4.76	-39.75
CCCC(NC(=O)CC(N1C=CC=N1)C(F)(F)F)C1=NN=N[N-]1	REAL300019734207	0	38	-1.0	-47.20	331.64	3.38	-43.82
CCCC(NC(=O)CC(N1C=CC=N1)C(F)(F)F)C1=N[N-]N=N1	REAL300019734207	1	38	-1.0	-47.19	331.58	3.37	-43.82
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019734208	0	38	-1.0	-50.23	354.73	1.73	-48.50
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019734208	1	38	-1.0	-50.22	354.79	1.74	-48.48
CCCC(NC(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=NN=N[N-]1	REAL300019734209	0	34	-1.0	-47.84	318.67	3.52	-44.32
CCCC(NC(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=N[N-]N=N1	REAL300019734209	1	34	-1.0	-47.85	318.61	3.51	-44.34
CCCC(NC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019734210	0	46	-1.0	-47.28	383.73	5.39	-41.89
CCCC(NC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019734210	1	46	-1.0	-47.29	383.79	5.41	-41.88
CCCC(NC(=O)C=CC1=CC=C(OC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300019734211	0	43	-1.0	-44.95	374.78	5.35	-39.60
CCCC(NC(=O)C=CC1=CC=C(OC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300019734211	1	43	-1.0	-44.96	374.84	5.37	-39.59
CCCC(NC(=O)CC1CCCC2=CC=C(C(=O)OC)C=C21)C1=N[N-]N=N1	REAL300019734212	0	51	-1.0	-51.14	407.97	7.18	-43.96
CCCC(NC(=O)CC1CCCC2=CC=C(C(=O)OC)C=C21)C1=NN=N[N-]1	REAL300019734212	1	51	-1.0	-51.13	408.02	7.19	-43.94
CCCC(NC(=O)C1CCC(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019734213	0	53	-1.0	-52.01	403.12	6.39	-45.62
CCCC(NC(=O)C1CCC(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019734213	1	53	-1.0	-52.07	403.17	6.41	-45.66
CCCC(NC(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=NN=N[N-]1	REAL300019734214	0	43	-1.0	-53.78	354.33	6.52	-47.26
CCCC(NC(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=N[N-]N=N1	REAL300019734214	1	43	-1.0	-53.76	354.27	6.50	-47.26
CCCCCC1=NNC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL300019734215	0	44	-1.0	-43.42	363.98	3.75	-39.67
CCCCCC1=NNC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL300019734215	1	44	-1.0	-43.41	364.04	3.77	-39.64
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)C(C)=C1)C1=N[N-]N=N1	REAL300019734216	0	50	-1.0	-48.86	384.13	4.80	-44.06
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)C(C)=C1)C1=NN=N[N-]1	REAL300019734216	1	50	-1.0	-48.87	384.19	4.82	-44.05
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=NN=N[N-]1	REAL300019734217	0	38	-1.0	-41.21	339.43	4.69	-36.52
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=N[N-]N=N1	REAL300019734217	1	38	-1.0	-41.23	339.37	4.67	-36.56
CCCC(NC(=O)C1=CC(C)=NC(NCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019734218	0	42	-1.0	-44.65	366.90	3.37	-41.28
CCCC(NC(=O)C1=CC(C)=NC(NCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019734218	1	42	-1.0	-44.65	366.96	3.39	-41.26
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(C)=N1)C1=N[N-]N=N1	REAL300019734219	0	36	-1.0	-46.54	321.65	3.17	-43.37
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC(C)=N1)C1=NN=N[N-]1	REAL300019734219	1	36	-1.0	-46.54	321.71	3.19	-43.35
CCCC(NC(=O)C1CC(C)(C)CC(C)(C)C1)C1=N[N-]N=N1	REAL300019734220	0	50	-1.0	-46.08	370.88	5.74	-40.34
CCCC(NC(=O)C1CC(C)(C)CC(C)(C)C1)C1=NN=N[N-]1	REAL300019734220	1	50	-1.0	-46.12	370.94	5.75	-40.37
CCCC(NC(=O)C1=CC=CC2=C1COCC2)C1=N[N-]N=N1	REAL300019734221	0	40	-1.0	-49.22	322.41	3.76	-45.46
CCCC(NC(=O)C1=CC=CC2=C1COCC2)C1=NN=N[N-]1	REAL300019734221	1	40	-1.0	-49.26	322.47	3.78	-45.48
CCCC(NC(=O)C1=C(Br)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019734222	0	41	-1.0	-46.07	349.62	3.60	-42.47
CCCC(NC(=O)C1=C(Br)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019734222	1	41	-1.0	-46.09	349.56	3.58	-42.51
CCCC(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734223	0	48	-1.0	-49.92	378.46	3.67	-46.25
CCCC(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734223	1	48	-1.0	-49.94	378.52	3.69	-46.25
CCCC(NC(=O)C1=CC2=C(CN(C(=O)OC(C)(C)C)C2)S1)C1=N[N-]N=N1	REAL300019734224	0	50	-1.0	-47.10	418.02	5.10	-42.00
CCCC(NC(=O)C1=CC2=C(CN(C(=O)OC(C)(C)C)C2)S1)C1=NN=N[N-]1	REAL300019734224	1	50	-1.0	-47.13	418.08	5.11	-42.02
CCCC(NC(=O)C1=C(C)OC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL300019734225	0	38	-1.0	-44.09	332.28	3.18	-40.91
CCCC(NC(=O)C1=C(C)OC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL300019734225	1	38	-1.0	-44.14	332.34	3.20	-40.94
CCCC(NC(=O)C1=CC(Cl)=C(Br)C=N1)C1=NN=N[N-]1	REAL300019734226	0	31	-1.0	-41.56	307.96	2.96	-38.60
CCCC(NC(=O)C1=CC(Cl)=C(Br)C=N1)C1=N[N-]N=N1	REAL300019734226	1	31	-1.0	-41.55	307.90	2.95	-38.60
CCCC(NC(=O)C1=C2N=C(CO)NC2=CC=C1)C1=N[N-]N=N1	REAL300019734227	0	39	-1.0	-59.07	331.94	0.02	-59.05
CCCC(NC(=O)C1=C2N=C(CO)NC2=CC=C1)C1=NN=N[N-]1	REAL300019734227	1	39	-1.0	-59.07	332.00	0.04	-59.03
CCCC(NC(=O)CC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019734228	0	40	-1.0	-51.15	336.82	4.64	-46.51
CCCC(NC(=O)CC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019734228	1	40	-1.0	-51.16	336.88	4.66	-46.50
CCCC(NC(=O)C=C(C)CN1CCOCC1)C1=N[N-]N=N1	REAL300019734229	0	45	-1.0	-45.13	356.48	1.06	-44.07
CCCC(NC(=O)C=C(C)CN1CCOCC1)C1=NN=N[N-]1	REAL300019734229	1	45	-1.0	-45.18	356.54	1.07	-44.11
CCCC(NC(=O)C1=NN=C(C2=CC=CO2)O1)C1=N[N-]N=N1	REAL300019734230	0	34	-1.0	-46.61	310.86	-2.25	-48.86
CCCC(NC(=O)C1=NN=C(C2=CC=CO2)O1)C1=NN=N[N-]1	REAL300019734230	1	34	-1.0	-46.59	310.92	-2.23	-48.82
CCCC(NC(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=N[N-]N=N1	REAL300019734231	0	35	-1.0	-53.70	313.19	3.33	-50.37
CCCC(NC(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=NN=N[N-]1	REAL300019734231	1	35	-1.0	-53.71	313.25	3.34	-50.37
CCCC(NC(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019734232	0	43	-1.0	-44.79	365.48	5.03	-39.76
CCCC(NC(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019734232	1	43	-1.0	-44.77	365.54	5.04	-39.73
CCCC(NC(=O)C1=CC=CC(SC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019734233	0	36	-1.0	-44.72	330.66	5.10	-39.62
CCCC(NC(=O)C1=CC=CC(SC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019734233	1	36	-1.0	-44.75	330.72	5.11	-39.64
CCCC(NC(=O)CC1=C(C)N=C(SCC(C)C)S1)C1=N[N-]N=N1	REAL300019734234	0	47	-1.0	-47.98	408.65	5.51	-42.47
CCCC(NC(=O)CC1=C(C)N=C(SCC(C)C)S1)C1=NN=N[N-]1	REAL300019734234	1	47	-1.0	-48.00	408.71	5.53	-42.47
CCCC(NC(=O)C1=CC2=C(C)C(Br)=CC=C2N1)C1=N[N-]N=N1	REAL300019734235	0	39	-1.0	-44.34	346.77	4.70	-39.64
CCCC(NC(=O)C1=CC2=C(C)C(Br)=CC=C2N1)C1=NN=N[N-]1	REAL300019734235	1	39	-1.0	-44.34	346.83	4.72	-39.62
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL300019734236	0	39	-1.0	-46.50	335.83	3.81	-42.69
CCCC(NC(=O)C(F)(F)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL300019734236	1	39	-1.0	-46.49	335.77	3.79	-42.70
CCCC(NC(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=N[N-]N=N1	REAL300019734237	0	38	-1.0	-49.25	335.42	-1.20	-50.45
CCCC(NC(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=NN=N[N-]1	REAL300019734237	1	38	-1.0	-49.31	335.48	-1.18	-50.49
CCCC(NC(=O)C1=CNC(=S)N1C1CC1)C1=N[N-]N=N1	REAL300019734238	0	37	-1.0	-49.85	318.67	3.81	-46.04
CCCC(NC(=O)C1=CNC(=S)N1C1CC1)C1=NN=N[N-]1	REAL300019734238	1	37	-1.0	-49.86	318.73	3.82	-46.04
CCCC(NC(=O)C=CC1=CC=C(C2OCCO2)O1)C1=N[N-]N=N1	REAL300019734239	0	42	-1.0	-49.54	361.33	3.09	-46.45
CCCC(NC(=O)C=CC1=CC=C(C2OCCO2)O1)C1=NN=N[N-]1	REAL300019734239	1	42	-1.0	-49.54	361.38	3.10	-46.44
CCCC(NC(=O)C1=COC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL300019734240	0	37	-1.0	-47.01	329.53	0.30	-46.71
CCCC(NC(=O)C1=COC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL300019734240	1	37	-1.0	-47.01	329.47	0.28	-46.73
CCCC(NC(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019734241	0	42	-1.0	-49.92	374.46	3.59	-46.33
CCCC(NC(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019734241	1	42	-1.0	-49.89	374.51	3.61	-46.28
CCCC(NC(=O)C1=CC=CC(OCC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019734242	0	51	-1.0	-56.48	415.05	6.52	-49.96
CCCC(NC(=O)C1=CC=CC(OCC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019734242	1	51	-1.0	-56.47	415.11	6.53	-49.94
CCCC(NC(=O)C1=NN(CCCOC)C(=O)C=C1)C1=N[N-]N=N1	REAL300019734243	0	44	-1.0	-43.82	373.77	1.46	-42.36
CCCC(NC(=O)C1=NN(CCCOC)C(=O)C=C1)C1=NN=N[N-]1	REAL300019734243	1	44	-1.0	-43.82	373.83	1.47	-42.35
CCCC(NC(=O)C1=NN(C(C)(C)C)C=C1Br)C1=NN=N[N-]1	REAL300019734244	0	41	-1.0	-49.05	358.84	4.05	-45.00
CCCC(NC(=O)C1=NN(C(C)(C)C)C=C1Br)C1=N[N-]N=N1	REAL300019734244	1	41	-1.0	-49.03	358.79	4.03	-45.00
CCCC(NC(=O)C1=C2C=CSC2=NC=N1)C1=NN=N[N-]1	REAL300019734245	0	33	-1.0	-44.06	300.08	2.96	-41.10
CCCC(NC(=O)C1=C2C=CSC2=NC=N1)C1=N[N-]N=N1	REAL300019734245	1	33	-1.0	-44.06	300.03	2.95	-41.11
CCCC(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C1=N[N-]N=N1	REAL300019734246	0	60	-1.0	-49.38	458.68	4.51	-44.87
CCCC(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C1=NN=N[N-]1	REAL300019734246	1	60	-1.0	-49.38	458.74	4.52	-44.86
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C1=N[N-]N=N1	REAL300019734247	0	46	-1.0	-47.53	378.77	5.12	-42.41
CCCC(NC(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C1=NN=N[N-]1	REAL300019734247	1	46	-1.0	-47.55	378.83	5.14	-42.41
CCCC(NC(=O)C1=CC=C(OCC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019734248	0	51	-1.0	-51.17	414.98	6.53	-44.64
CCCC(NC(=O)C1=CC=C(OCC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019734248	1	51	-1.0	-51.17	415.03	6.55	-44.62
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(OC)=C1)C1=N[N-]N=N1	REAL300019734249	0	39	-1.0	-44.37	341.18	4.01	-40.36
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C(OC)=C1)C1=NN=N[N-]1	REAL300019734249	1	39	-1.0	-44.36	341.24	4.02	-40.34
CCCC(NC(=O)CC1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300019734250	0	42	-1.0	-52.09	352.29	1.87	-50.22
CCCC(NC(=O)CC1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300019734250	1	42	-1.0	-52.08	352.34	1.89	-50.19
CCCC(NC(=O)C1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL300019734251	0	40	-1.0	-47.84	328.03	3.70	-44.14
CCCC(NC(=O)C1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL300019734251	1	40	-1.0	-47.83	328.08	3.71	-44.12
CCCC(NC(=O)C1=CC(C2=CC=CC(Br)=C2)=NO1)C1=NN=N[N-]1	REAL300019734252	0	38	-1.0	-41.72	354.32	5.23	-36.49
CCCC(NC(=O)C1=CC(C2=CC=CC(Br)=C2)=NO1)C1=N[N-]N=N1	REAL300019734252	1	38	-1.0	-41.72	354.26	5.22	-36.50
CCCC(NC(=O)C1=CC(C2=CC=C(Br)C=C2)=NO1)C1=NN=N[N-]1	REAL300019734253	0	38	-1.0	-40.92	354.31	5.24	-35.68
CCCC(NC(=O)C1=CC(C2=CC=C(Br)C=C2)=NO1)C1=N[N-]N=N1	REAL300019734253	1	38	-1.0	-40.92	354.25	5.23	-35.69
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300019734254	0	35	-1.0	-44.39	330.09	5.54	-38.85
CCCC(NC(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300019734254	1	35	-1.0	-44.39	330.15	5.55	-38.84
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019734255	0	43	-1.0	-46.53	356.33	4.94	-41.59
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019734255	1	43	-1.0	-46.57	356.38	4.96	-41.61
CCCC(NC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL300019734256	0	41	-1.0	-49.11	353.63	5.26	-43.85
CCCC(NC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL300019734256	1	41	-1.0	-49.12	353.69	5.28	-43.84
CCCC(NC(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300019734257	0	51	-1.0	-46.46	400.77	8.11	-38.35
CCCC(NC(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300019734257	1	51	-1.0	-46.47	400.83	8.12	-38.35
CCCC(NC(=O)C1CCC(C(=O)N(C)C)CC1)C1=N[N-]N=N1	REAL300019734258	0	48	-1.0	-58.63	365.62	3.62	-55.01
CCCC(NC(=O)C1CCC(C(=O)N(C)C)CC1)C1=NN=N[N-]1	REAL300019734258	1	48	-1.0	-58.61	365.70	3.63	-54.98
CCCC(NC(=O)C1=CN=CC(Br)=C1C)C1=N[N-]N=N1	REAL300019734259	0	34	-1.0	-42.33	303.69	3.04	-39.29
CCCC(NC(=O)C1=CN=CC(Br)=C1C)C1=NN=N[N-]1	REAL300019734259	1	34	-1.0	-42.31	303.75	3.06	-39.25
CCCC(NC(=O)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)C1=N[N-]N=N1	REAL300019734260	0	42	-1.0	-51.12	372.87	3.85	-47.27
CCCC(NC(=O)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)C1=NN=N[N-]1	REAL300019734260	1	42	-1.0	-51.08	372.93	3.87	-47.21
CCCC(NC(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1)C1=N[N-]N=N1	REAL300019734261	0	45	-1.0	-48.66	368.86	3.88	-44.78
CCCC(NC(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1)C1=NN=N[N-]1	REAL300019734261	1	45	-1.0	-48.67	368.92	3.90	-44.77
CCCC(NC(=O)CC1=C(Cl)C=CC=C1Br)C1=N[N-]N=N1	REAL300019734262	0	35	-1.0	-45.62	331.05	5.22	-40.40
CCCC(NC(=O)CC1=C(Cl)C=CC=C1Br)C1=NN=N[N-]1	REAL300019734262	1	35	-1.0	-45.58	331.11	5.23	-40.35
CCCC(NC(=O)CC1=CC=CC(OC)=C1Cl)C1=N[N-]N=N1	REAL300019734263	0	39	-1.0	-46.88	341.96	4.07	-42.81
CCCC(NC(=O)CC1=CC=CC(OC)=C1Cl)C1=NN=N[N-]1	REAL300019734263	1	39	-1.0	-46.90	342.01	4.08	-42.82
CCCC(NC(=O)C(CC)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734264	0	51	-1.0	-50.15	397.52	4.78	-45.37
CCCC(NC(=O)C(CC)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734264	1	51	-1.0	-50.12	397.57	4.80	-45.32
CCCC(NC(=O)CCC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL300019734265	0	35	-1.0	-46.96	323.46	4.65	-42.31
CCCC(NC(=O)CCC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL300019734265	1	35	-1.0	-46.98	323.52	4.68	-42.30
CCCC(NC(=O)C(CC1COCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL300019734266	0	43	-1.0	-44.36	356.36	2.37	-41.99
CCCC(NC(=O)C(CC1COCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL300019734266	1	43	-1.0	-44.39	356.41	2.37	-42.02
CCCC(NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C1=N[N-]N=N1	REAL300019734267	0	45	-1.0	-47.76	368.18	3.08	-44.68
CCCC(NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C1=NN=N[N-]1	REAL300019734267	1	45	-1.0	-47.78	368.23	3.10	-44.68
CCCC(NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019734268	0	52	-1.0	-51.51	408.50	4.39	-47.12
CCCC(NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019734268	1	52	-1.0	-51.50	408.55	4.40	-47.10
CCCC(NC(=O)CC1=CC=C(Br)C=C1F)C1=N[N-]N=N1	REAL300019734269	0	35	-1.0	-43.97	325.67	4.95	-39.02
CCCC(NC(=O)CC1=CC=C(Br)C=C1F)C1=NN=N[N-]1	REAL300019734269	1	35	-1.0	-44.01	325.73	4.97	-39.04
CCCC(NC(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=NN=N[N-]1	REAL300019734270	0	38	-1.0	-56.41	331.28	3.63	-52.78
CCCC(NC(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=N[N-]N=N1	REAL300019734270	1	38	-1.0	-56.42	331.23	3.61	-52.81
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300019734271	0	51	-1.0	-55.46	397.76	4.95	-50.51
CCCC(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300019734271	1	51	-1.0	-55.46	397.82	4.96	-50.50
CCCC(NC(=O)C1=CC=C(OC(C)C)C(C(C)=O)=C1)C1=N[N-]N=N1	REAL300019734272	0	47	-1.0	-47.99	383.99	6.24	-41.75
CCCC(NC(=O)C1=CC=C(OC(C)C)C(C(C)=O)=C1)C1=NN=N[N-]1	REAL300019734272	1	47	-1.0	-47.98	384.05	6.25	-41.73
CCCC(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019734273	0	44	-1.0	-46.96	369.45	4.29	-42.67
CCCC(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019734273	1	44	-1.0	-47.00	369.39	4.28	-42.72
CCCC(NC(=O)C1=CC=CC(NC2=NC=CC(C)=N2)=C1)C1=NN=N[N-]1	REAL300019734274	0	45	-1.0	-54.07	377.88	6.79	-47.28
CCCC(NC(=O)C1=CC=CC(NC2=NC=CC(C)=N2)=C1)C1=N[N-]N=N1	REAL300019734274	1	45	-1.0	-54.08	377.83	6.78	-47.30
CCCC(NC(=O)C(F)(F)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019734275	0	35	-1.0	-41.13	329.87	5.03	-36.10
CCCC(NC(=O)C(F)(F)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019734275	1	35	-1.0	-41.13	329.81	5.02	-36.11
CCCC(NC(=O)C1CC2=CC=CC=C2CO1)C1=N[N-]N=N1	REAL300019734276	0	40	-1.0	-49.00	331.32	4.79	-44.21
CCCC(NC(=O)C1CC2=CC=CC=C2CO1)C1=NN=N[N-]1	REAL300019734276	1	40	-1.0	-48.96	331.38	4.81	-44.15
CCCC(NC(=O)C1=CC=C2OC(C)CC2=C1)C1=N[N-]N=N1	REAL300019734277	0	40	-1.0	-46.91	331.17	4.21	-42.70
CCCC(NC(=O)C1=CC=C2OC(C)CC2=C1)C1=NN=N[N-]1	REAL300019734277	1	40	-1.0	-46.92	331.23	4.22	-42.70
CCCC(NC(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019734278	0	38	-1.0	-46.97	332.52	6.41	-40.56
CCCC(NC(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019734278	1	38	-1.0	-46.95	332.46	6.40	-40.55
CCCC(NC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12)C1=NN=N[N-]1	REAL300019734279	0	38	-1.0	-55.98	341.35	5.80	-50.18
CCCC(NC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12)C1=N[N-]N=N1	REAL300019734279	1	38	-1.0	-55.97	341.29	5.78	-50.19
CCCC(NC(=O)C1=C(C)N(C2=CN(C)N=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019734280	0	46	-1.0	-51.03	381.67	5.20	-45.83
CCCC(NC(=O)C1=C(C)N(C2=CN(C)N=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019734280	1	46	-1.0	-51.04	381.61	5.18	-45.86
CCCC(NC(=O)CC1=C(C2=CC=CS2)N=C(C)S1)C1=NN=N[N-]1	REAL300019734281	0	41	-1.0	-47.93	370.38	4.66	-43.27
CCCC(NC(=O)CC1=C(C2=CC=CS2)N=C(C)S1)C1=N[N-]N=N1	REAL300019734281	1	41	-1.0	-47.94	370.33	4.65	-43.29
CCCC(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL300019734282	0	45	0.0	-64.42	363.36	4.33	-60.09
CCCC(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL300019734282	1	45	0.0	-64.44	363.42	4.34	-60.10
CCCC(NC(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300019734283	0	46	-1.0	-50.80	385.70	4.42	-46.38
CCCC(NC(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300019734283	1	46	-1.0	-50.82	385.64	4.40	-46.42
CCCC(NC(=O)C1=CC(N)=NC(Br)=C1)C1=NN=N[N-]1	REAL300019734284	0	33	-1.0	-43.04	306.17	1.13	-41.91
CCCC(NC(=O)C1=CC(N)=NC(Br)=C1)C1=N[N-]N=N1	REAL300019734284	1	33	-1.0	-43.01	306.11	1.11	-41.90
CCCC(NC(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019734285	0	46	-1.0	-54.41	389.91	7.89	-46.52
CCCC(NC(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019734285	1	46	-1.0	-54.39	389.97	7.90	-46.49
CCCC(NC(=O)C1=CNC2=CC(OC)=CC(OC)=C2C1=O)C1=N[N-]N=N1	REAL300019734286	0	46	-1.0	-58.14	380.01	3.47	-54.67
CCCC(NC(=O)C1=CNC2=CC(OC)=CC(OC)=C2C1=O)C1=NN=N[N-]1	REAL300019734286	1	46	-1.0	-58.14	380.06	3.49	-54.65
CCCC(NC(=O)CC1NC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019734287	0	40	-1.0	-54.45	338.82	2.05	-52.40
CCCC(NC(=O)CC1NC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019734287	1	40	-1.0	-54.45	338.88	2.06	-52.39
CCCC(NC(=O)C(C)C(O)CN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734288	0	55	-1.0	-52.26	429.41	3.06	-49.20
CCCC(NC(=O)C(C)C(O)CN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734288	1	55	-1.0	-52.30	429.47	3.07	-49.23
CCCC(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL300019734289	0	43	-1.0	-53.34	354.37	0.29	-53.05
CCCC(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL300019734289	1	43	-1.0	-53.33	354.43	0.31	-53.02
CCCC(NC(=O)CC1=CC=C(OC)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019734290	0	43	-1.0	-54.17	367.43	3.78	-50.39
CCCC(NC(=O)CC1=CC=C(OC)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019734290	1	43	-1.0	-54.15	367.49	3.80	-50.35
CCCC(NC(=O)CC1=CC=CC(C)=C1Br)C1=N[N-]N=N1	REAL300019734291	0	38	-1.0	-45.00	335.33	5.38	-39.62
CCCC(NC(=O)CC1=CC=CC(C)=C1Br)C1=NN=N[N-]1	REAL300019734291	1	38	-1.0	-45.03	335.39	5.39	-39.64
CCCC(NC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019734292	0	47	-1.0	-48.69	381.26	3.15	-45.54
CCCC(NC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019734292	1	47	-1.0	-48.74	381.32	3.16	-45.58
CCCC(NC(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL300019734293	0	41	-1.0	-55.81	351.98	4.05	-51.76
CCCC(NC(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL300019734293	1	41	-1.0	-55.81	351.92	4.04	-51.77
CCCC(NC(=O)CC1=CC(C)=C(Cl)C=N1)C1=N[N-]N=N1	REAL300019734294	0	37	-1.0	-52.22	328.16	3.77	-48.45
CCCC(NC(=O)CC1=CC(C)=C(Cl)C=N1)C1=NN=N[N-]1	REAL300019734294	1	37	-1.0	-52.23	328.21	3.79	-48.44
CCCC(NC(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=N[N-]N=N1	REAL300019734295	0	34	-1.0	-43.96	317.94	2.68	-41.28
CCCC(NC(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=NN=N[N-]1	REAL300019734295	1	34	-1.0	-43.98	318.00	2.69	-41.29
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C1=N[N-]N=N1	REAL300019734296	0	35	-1.0	-44.49	325.52	5.13	-39.36
CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C1=NN=N[N-]1	REAL300019734296	1	35	-1.0	-44.49	325.58	5.15	-39.34
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC)C1=N[N-]N=N1	REAL300019734297	0	42	-1.0	-49.78	354.03	3.44	-46.34
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC)C1=NN=N[N-]1	REAL300019734297	1	42	-1.0	-49.77	354.09	3.45	-46.32
CCCC(NC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=N[N-]N=N1	REAL300019734298	0	43	-1.0	-49.02	359.07	4.09	-44.93
CCCC(NC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=NN=N[N-]1	REAL300019734298	1	43	-1.0	-49.02	359.12	4.11	-44.91
CCCC(NC(=O)C1CCN(C(=O)OC)CC1)C1=N[N-]N=N1	REAL300019734299	0	43	-1.0	-51.56	347.91	2.54	-49.02
CCCC(NC(=O)C1CCN(C(=O)OC)CC1)C1=NN=N[N-]1	REAL300019734299	1	43	-1.0	-51.56	347.97	2.57	-48.99
CCCC(NC(=O)C1CC12CCN(C(=O)OCC1=CC=CC=C1)C2)C1=N[N-]N=N1	REAL300019734300	0	54	-1.0	-57.61	444.67	6.97	-50.64
CCCC(NC(=O)C1CC12CCN(C(=O)OCC1=CC=CC=C1)C2)C1=NN=N[N-]1	REAL300019734300	1	54	-1.0	-57.68	444.73	6.99	-50.69
CCCC(NC(=O)CCC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL300019734301	0	37	-1.0	-49.50	328.11	3.64	-45.86
CCCC(NC(=O)CCC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL300019734301	1	37	-1.0	-49.50	328.05	3.63	-45.87
CCCC(NC(=O)C1CCCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019734302	0	55	-1.0	-48.04	418.39	5.63	-42.41
CCCC(NC(=O)C1CCCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019734302	1	55	-1.0	-48.01	418.45	5.64	-42.37
CCCC(NC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734303	0	55	-1.0	-46.14	437.00	2.14	-44.00
CCCC(NC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734303	1	55	-1.0	-46.14	437.06	2.15	-43.99
CCCC(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300019734304	0	51	-1.0	-52.65	423.51	0.58	-52.07
CCCC(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300019734304	1	51	-1.0	-52.64	423.45	0.56	-52.08
CCCC(NC(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300019734305	0	39	-1.0	-52.69	354.73	0.62	-52.07
CCCC(NC(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300019734305	1	39	-1.0	-52.69	354.79	0.64	-52.05
CCCC(NC(=O)C1=CC(Br)=CNC1=O)C1=N[N-]N=N1	REAL300019734306	0	32	-1.0	-54.77	297.83	1.46	-53.31
CCCC(NC(=O)C1=CC(Br)=CNC1=O)C1=NN=N[N-]1	REAL300019734306	1	32	-1.0	-54.79	297.89	1.48	-53.31
CCCC(NC(=O)C1=CN=C2CCCCCN12)C1=N[N-]N=N1	REAL300019734307	0	42	-1.0	-46.90	330.48	3.99	-42.91
CCCC(NC(=O)C1=CN=C2CCCCCN12)C1=NN=N[N-]1	REAL300019734307	1	42	-1.0	-46.89	330.54	4.00	-42.89
CCCC(NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL300019734308	0	41	-1.0	-48.09	351.84	6.28	-41.81
CCCC(NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL300019734308	1	41	-1.0	-48.08	351.90	6.29	-41.79
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C1=N[N-]N=N1	REAL300019734309	0	38	-1.0	-57.17	339.36	-0.07	-57.24
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C1=NN=N[N-]1	REAL300019734309	1	38	-1.0	-57.17	339.42	-0.05	-57.22
CCCC(NC(=O)C1=CC2=CSC=C2S1)C1=N[N-]N=N1	REAL300019734310	0	32	-1.0	-47.05	304.45	3.99	-43.06
CCCC(NC(=O)C1=CC2=CSC=C2S1)C1=NN=N[N-]1	REAL300019734310	1	32	-1.0	-47.05	304.51	4.00	-43.05
CCCC(NC(=O)C(C)CC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300019734311	0	44	-1.0	-44.96	351.74	6.05	-38.91
CCCC(NC(=O)C(C)CC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300019734311	1	44	-1.0	-44.97	351.80	6.06	-38.91
CCCC(NC(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=N[N-]N=N1	REAL300019734312	0	40	-1.0	-47.79	342.14	6.53	-41.26
CCCC(NC(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=NN=N[N-]1	REAL300019734312	1	40	-1.0	-47.80	342.20	6.55	-41.25
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019734313	0	39	-1.0	-52.12	356.27	6.52	-45.60
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300019734313	1	39	-1.0	-52.15	356.33	6.53	-45.62
CCCC(NC(=O)CC1=COC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL300019734314	0	41	-1.0	-49.33	348.24	5.32	-44.01
CCCC(NC(=O)CC1=COC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL300019734314	1	41	-1.0	-49.33	348.29	5.34	-43.99
CCCC(NC(=O)C(OC)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019734315	0	39	-1.0	-45.95	337.14	4.52	-41.43
CCCC(NC(=O)C(OC)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019734315	1	39	-1.0	-45.99	337.20	4.53	-41.46
CCCC(NC(=O)C(CCC)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019734316	0	44	-1.0	-44.68	372.63	6.81	-37.87
CCCC(NC(=O)C(CCC)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019734316	1	44	-1.0	-44.68	372.69	6.82	-37.86
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019734317	0	46	-1.0	-55.02	382.30	6.04	-48.98
CCCC(NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019734317	1	46	-1.0	-55.03	382.24	6.03	-49.00
CCCC(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734318	0	52	-1.0	-48.84	405.34	1.95	-46.89
CCCC(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734318	1	52	-1.0	-48.80	405.40	1.96	-46.84
CCCC(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019734319	0	42	-1.0	-49.15	354.88	6.68	-42.47
CCCC(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019734319	1	42	-1.0	-49.16	354.94	6.69	-42.47
CCCC(NC(=O)CN1CSCCSC1)C1=N[N-]N=N1	REAL300019734320	0	39	-1.0	-46.00	333.54	2.10	-43.90
CCCC(NC(=O)CN1CSCCSC1)C1=NN=N[N-]1	REAL300019734320	1	39	-1.0	-46.01	333.59	2.12	-43.89
CCCC(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019734321	0	40	-1.0	-49.42	347.81	4.97	-44.45
CCCC(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019734321	1	40	-1.0	-49.37	347.87	4.99	-44.38
CCCC(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=N[N-]N=N1	REAL300019734322	0	48	-1.0	-49.93	393.60	4.46	-45.47
CCCC(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=NN=N[N-]1	REAL300019734322	1	48	-1.0	-49.90	393.66	4.48	-45.42
CCCC(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734323	0	53	-1.0	-55.12	410.91	2.47	-52.65
CCCC(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734323	1	53	-1.0	-55.12	411.00	2.49	-52.63
CCCC(NC(=O)C1CC(=O)NC2CCCCC21)C1=N[N-]N=N1	REAL300019734324	0	46	-1.0	-53.22	350.54	2.17	-51.05
CCCC(NC(=O)C1CC(=O)NC2CCCCC21)C1=NN=N[N-]1	REAL300019734324	1	46	-1.0	-53.26	350.60	2.19	-51.07
CCCC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019734325	0	35	-2.0	-110.06	325.18	-1.21	-111.27
CCCC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019734325	1	35	-2.0	-110.08	325.24	-1.19	-111.27
CCCC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL300019734326	0	46	0.0	-62.35	358.26	3.00	-59.35
CCCC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL300019734326	1	46	0.0	-62.36	358.20	2.99	-59.37
CCCC(NC(=O)CC1=CC=C(Br)C(O)=C1)C1=N[N-]N=N1	REAL300019734327	0	36	-1.0	-48.68	330.36	2.11	-46.57
CCCC(NC(=O)CC1=CC=C(Br)C(O)=C1)C1=NN=N[N-]1	REAL300019734327	1	36	-1.0	-48.69	330.42	2.13	-46.56
CCCC(NC(=O)CC(O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734328	0	49	-1.0	-50.19	396.76	-0.58	-50.77
CCCC(NC(=O)CC(O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734328	1	49	-1.0	-50.19	396.82	-0.56	-50.75
CCCC(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019734329	0	38	-2.0	-98.47	346.18	-0.76	-99.23
CCCC(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019734329	1	38	-2.0	-98.50	346.24	-0.75	-99.25
CCCC(NC(=O)C1CCN1CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019734330	0	48	-1.0	-51.68	392.59	2.40	-49.28
CCCC(NC(=O)C1CCN1CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019734330	1	48	-1.0	-51.68	392.65	2.41	-49.27
CCCC(NC(=O)C1=CC(N2CCOCC2)=NC=N1)C1=NN=N[N-]1	REAL300019734331	0	43	-1.0	-44.01	353.75	1.71	-42.30
CCCC(NC(=O)C1=CC(N2CCOCC2)=NC=N1)C1=N[N-]N=N1	REAL300019734331	1	43	-1.0	-44.00	353.69	1.70	-42.30
CCCC(NC(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019734332	0	40	-1.0	-52.85	339.15	1.63	-51.22
CCCC(NC(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019734332	1	40	-1.0	-52.83	339.21	1.65	-51.18
CCCC(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019734332	1	39	-2.0	-120.28	335.59	2.63	-117.65
CCCC(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019734332	1	39	-2.0	-120.25	335.65	2.64	-117.61
CCCC(NC(=O)CN(C)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019734333	0	46	-1.0	-46.01	371.77	4.22	-41.79
CCCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019734333	1	47	0.0	-56.70	373.69	6.49	-50.21
CCCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019734333	1	47	0.0	-56.68	373.68	6.49	-50.19
CCCC(NC(=O)CN(C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019734333	1	46	-1.0	-46.00	371.83	4.24	-41.76
CCCC(NC(=O)CC[N@H+](C)CCOCCOC)C1=N[N-]N=N1	REAL300019734334	0	51	0.0	-59.60	402.67	2.66	-56.94
CCCC(NC(=O)CC[N@@H+](C)CCOCCOC)C1=N[N-]N=N1	REAL300019734334	1	51	0.0	-59.89	402.63	2.66	-57.23
CCCC(NC(=O)CC[N@H+](C)CCOCCOC)C1=NN=N[N-]1	REAL300019734334	1	51	0.0	-59.58	402.73	2.68	-56.90
CCCC(NC(=O)CC[N@@H+](C)CCOCCOC)C1=NN=N[N-]1	REAL300019734334	1	51	0.0	-59.90	402.68	2.67	-57.23
CCCC(NC(=O)C(C)N1CSCCSC1)C1=N[N-]N=N1	REAL300019734335	0	42	-1.0	-49.77	348.47	2.59	-47.18
CCCC(NC(=O)C(C)N1CSCCSC1)C1=NN=N[N-]1	REAL300019734335	1	42	-1.0	-49.74	348.52	2.61	-47.13
CCCC(NC(=O)CCN1CSCCSC1)C1=N[N-]N=N1	REAL300019734336	0	42	-1.0	-45.94	352.87	2.39	-43.55
CCCC(NC(=O)CCN1CSCCSC1)C1=NN=N[N-]1	REAL300019734336	1	42	-1.0	-45.95	352.93	2.40	-43.55
CCCC(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=N[N-]N=N1	REAL300019734337	0	42	-1.0	-50.60	361.39	-2.31	-52.91
CCCC(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=NN=N[N-]1	REAL300019734337	1	42	-1.0	-50.59	361.45	-2.29	-52.88
CCCC(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL300019734338	0	36	-1.0	-45.48	320.91	5.35	-40.13
CCCC(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL300019734338	1	36	-1.0	-45.50	320.97	5.37	-40.13
CCCC(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=N[N-]N=N1	REAL300019734339	0	37	-1.0	-51.78	331.20	3.68	-48.10
CCCC(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=NN=N[N-]1	REAL300019734339	1	37	-1.0	-51.79	331.26	3.70	-48.09
CCCC(NC(=O)CC1=CC=C(SCC)C=C1Br)C1=N[N-]N=N1	REAL300019734340	0	42	-1.0	-47.48	378.25	6.63	-40.85
CCCC(NC(=O)CC1=CC=C(SCC)C=C1Br)C1=NN=N[N-]1	REAL300019734340	1	42	-1.0	-47.49	378.31	6.65	-40.84
CCCC(NC(=O)C1CCC2=CC=CC=C2CC1)C1=N[N-]N=N1	REAL300019734341	0	45	-1.0	-45.88	351.72	6.52	-39.36
CCCC(NC(=O)C1CCC2=CC=CC=C2CC1)C1=NN=N[N-]1	REAL300019734341	1	45	-1.0	-45.86	351.78	6.53	-39.33
CCCC(NC(=O)CC(C1CCC1)C1CCC1)C1=N[N-]N=N1	REAL300019734342	0	48	-1.0	-46.41	365.44	6.55	-39.86
CCCC(NC(=O)CC(C1CCC1)C1CCC1)C1=NN=N[N-]1	REAL300019734342	1	48	-1.0	-46.42	365.50	6.56	-39.86
CCCC(NC(=O)C(C)OCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019734343	0	45	-1.0	-50.56	373.80	6.10	-44.46
CCCC(NC(=O)C(C)OCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019734343	1	45	-1.0	-50.58	373.85	6.12	-44.46
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=N[N-]N=N1	REAL300019734344	0	35	-1.0	-44.22	334.65	5.64	-38.58
CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=NN=N[N-]1	REAL300019734344	1	35	-1.0	-44.19	334.71	5.66	-38.53
CCCC(NC(=O)C1=C2SC=CC2=NC=N1)C1=NN=N[N-]1	REAL300019734345	0	33	-1.0	-45.40	301.29	2.99	-42.41
CCCC(NC(=O)C1=C2SC=CC2=NC=N1)C1=N[N-]N=N1	REAL300019734345	1	33	-1.0	-45.45	301.23	2.98	-42.47
CCCCCCCCC(C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL300019734346	0	52	-1.0	-45.21	405.57	7.28	-37.93
CCCCCCCCC(C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL300019734346	1	52	-1.0	-45.20	405.63	7.30	-37.90
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019734347	0	49	-1.0	-43.51	394.28	2.63	-40.88
CCCC(NC(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019734347	1	49	-1.0	-43.50	394.35	2.64	-40.86
CCCC(NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019734348	0	55	-1.0	-58.85	421.60	5.21	-53.64
CCCC(NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019734348	1	55	-1.0	-58.80	421.66	5.23	-53.57
CCCC(NC(=O)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)C1=NN=N[N-]1	REAL300019734349	0	43	-1.0	-58.96	375.34	4.37	-54.59
CCCC(NC(=O)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)C1=N[N-]N=N1	REAL300019734349	1	43	-1.0	-58.99	375.29	4.35	-54.64
CCCC(NC(=O)C=CC(=O)NCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019734350	0	47	-1.0	-46.43	401.70	2.60	-43.83
CCCC(NC(=O)C=CC(=O)NCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019734350	1	47	-1.0	-46.41	401.76	2.61	-43.80
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1)C1=N[N-]N=N1	REAL300019734351	0	36	-1.0	-46.69	339.24	5.34	-41.35
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1)C1=NN=N[N-]1	REAL300019734351	1	36	-1.0	-46.71	339.30	5.35	-41.36
CCCC(NC(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300019734352	0	40	-1.0	-48.37	348.16	4.80	-43.57
CCCC(NC(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300019734352	1	40	-1.0	-48.37	348.21	4.81	-43.56
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019734353	0	36	-1.0	-41.45	336.20	3.99	-37.46
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019734353	1	36	-1.0	-41.46	336.26	4.01	-37.45
CCCC(NC(=O)C1=CC=C(Br)C(OC)=C1)C1=N[N-]N=N1	REAL300019734354	0	36	-1.0	-44.53	324.17	3.58	-40.95
CCCC(NC(=O)C1=CC=C(Br)C(OC)=C1)C1=NN=N[N-]1	REAL300019734354	1	36	-1.0	-44.58	324.23	3.60	-40.98
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300019734355	0	39	-1.0	-43.29	340.24	4.18	-39.11
CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300019734355	1	39	-1.0	-43.23	340.30	4.19	-39.04
CCCC(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=N[N-]N=N1	REAL300019734356	0	40	-1.0	-43.06	335.33	4.22	-38.84
CCCC(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=NN=N[N-]1	REAL300019734356	1	40	-1.0	-43.05	335.39	4.23	-38.82
CCCC(NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019734357	0	38	-1.0	-50.35	339.23	-0.01	-50.36
CCCC(NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019734357	1	38	-1.0	-50.39	339.29	0.01	-50.38
CCCC(NC(=O)C(C)OCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300019734358	0	45	-1.0	-51.83	368.55	6.12	-45.71
CCCC(NC(=O)C(C)OCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300019734358	1	45	-1.0	-51.87	368.61	6.15	-45.72
CCCC(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019734359	0	32	-1.0	-45.49	306.17	3.73	-41.76
CCCC(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019734359	1	32	-1.0	-45.50	306.23	3.74	-41.76
CCCC(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019734360	0	45	-1.0	-46.16	358.52	6.65	-39.51
CCCC(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019734360	1	45	-1.0	-46.14	358.58	6.66	-39.48
CCCC(NC(=O)C1=CN(CCCOC)N=C1)C1=NN=N[N-]1	REAL300019734361	0	42	-1.0	-48.45	356.08	2.08	-46.37
CCCC(NC(=O)C1=CN(CCCOC)N=C1)C1=N[N-]N=N1	REAL300019734361	1	42	-1.0	-48.43	356.02	2.06	-46.37
CCCC(NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=N[N-]N=N1	REAL300019734362	0	46	-1.0	-51.75	373.86	2.93	-48.82
CCCC(NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=NN=N[N-]1	REAL300019734362	1	46	-1.0	-51.74	373.92	2.94	-48.80
CCCC(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=NN=N[N-]1	REAL300019734363	0	43	-1.0	-49.55	359.89	2.40	-47.15
CCCC(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=N[N-]N=N1	REAL300019734363	1	43	-1.0	-49.54	359.83	2.39	-47.15
CCCC(NC(=O)C1=C2C=CSC2=CN=C1)C1=NN=N[N-]1	REAL300019734364	0	34	-1.0	-46.48	302.25	3.16	-43.32
CCCC(NC(=O)C1=C2C=CSC2=CN=C1)C1=N[N-]N=N1	REAL300019734364	1	34	-1.0	-46.48	302.20	3.15	-43.33
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300019734365	0	39	-1.0	-48.84	357.23	5.84	-43.00
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300019734365	1	39	-1.0	-48.84	357.29	5.86	-42.98
CCCC(NC(=O)CCC1=CC=C(OC)C=C1Br)C1=N[N-]N=N1	REAL300019734366	0	42	-1.0	-44.66	367.02	4.88	-39.78
CCCC(NC(=O)CCC1=CC=C(OC)C=C1Br)C1=NN=N[N-]1	REAL300019734366	1	42	-1.0	-44.70	367.07	4.89	-39.81
CCCC(NC(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=NN=N[N-]1	REAL300019734367	0	41	-1.0	-51.44	351.98	4.04	-47.40
CCCC(NC(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=N[N-]N=N1	REAL300019734367	1	41	-1.0	-51.50	351.93	4.03	-47.47
CCCC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1)C1=N[N-]N=N1	REAL300019734368	0	38	-1.0	-44.44	351.96	6.02	-38.42
CCCC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1)C1=NN=N[N-]1	REAL300019734368	1	38	-1.0	-44.43	352.01	6.03	-38.40
CCCC(NC(=O)C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)C1=N[N-]N=N1	REAL300019734369	0	46	-1.0	-43.92	401.88	7.20	-36.72
CCCC(NC(=O)C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)C1=NN=N[N-]1	REAL300019734369	1	46	-1.0	-43.93	401.93	7.22	-36.71
CCCC(NC(=O)C1=C(Br)N=C2COCCN21)C1=N[N-]N=N1	REAL300019734370	0	37	-1.0	-48.95	325.00	1.90	-47.05
CCCC(NC(=O)C1=C(Br)N=C2COCCN21)C1=NN=N[N-]1	REAL300019734370	1	37	-1.0	-48.99	325.06	1.91	-47.08
CCCC(NC(=O)COCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300019734371	0	42	-1.0	-50.95	349.56	5.37	-45.58
CCCC(NC(=O)COCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300019734371	1	42	-1.0	-50.94	349.62	5.40	-45.54
CCCC(NC(=O)COCC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019734372	0	42	-1.0	-50.21	354.81	5.35	-44.86
CCCC(NC(=O)COCC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019734372	1	42	-1.0	-50.21	354.86	5.37	-44.84
CCCC(NC(=O)C1=C2SC=CC2=CC=N1)C1=NN=N[N-]1	REAL300019734373	0	34	-1.0	-50.37	306.14	3.28	-47.09
CCCC(NC(=O)C1=C2SC=CC2=CC=N1)C1=N[N-]N=N1	REAL300019734373	1	34	-1.0	-50.36	306.08	3.27	-47.09
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)C1=N[N-]N=N1	REAL300019734374	0	43	-1.0	-44.39	366.33	4.68	-39.71
CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)C1=NN=N[N-]1	REAL300019734374	1	43	-1.0	-44.38	366.38	4.70	-39.68
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=N[N-]N=N1	REAL300019734375	0	41	-1.0	-58.73	329.63	2.43	-56.30
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=NN=N[N-]1	REAL300019734375	1	41	-1.0	-58.74	329.68	2.45	-56.29
CCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019734376	0	38	-2.0	-94.56	343.21	-0.26	-94.82
CCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019734376	1	38	-2.0	-94.55	343.15	-0.27	-94.82
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019734376	1	39	-1.0	-52.89	343.28	-0.11	-53.00
CCCC(NC(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019734376	1	39	-1.0	-52.93	343.22	-0.13	-53.06
CCCC(NC(=O)C1=CC=CC2=CC(=O)NC=C21)C1=NN=N[N-]1	REAL300019734377	0	38	-1.0	-47.04	321.13	2.85	-44.19
CCCC(NC(=O)C1=CC=CC2=CC(=O)NC=C21)C1=N[N-]N=N1	REAL300019734377	1	38	-1.0	-47.06	321.08	2.83	-44.23
CCCC(NC(=O)C1=CC=C(SC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300019734378	0	35	-1.0	-43.27	329.22	3.88	-39.39
CCCC(NC(=O)C1=CC=C(SC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300019734378	1	35	-1.0	-43.27	329.16	3.87	-39.40
CCCC(NC(=O)C1=CC=NC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL300019734379	0	43	-1.0	-44.53	355.10	2.10	-42.43
CCCC(NC(=O)C1=CC=NC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL300019734379	1	43	-1.0	-44.57	355.05	2.09	-42.48
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)C1=NN=N[N-]1	REAL300019734380	0	38	-1.0	-47.52	364.18	5.00	-42.52
CCCC(NC(=O)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)C1=N[N-]N=N1	REAL300019734380	1	38	-1.0	-47.51	364.13	4.98	-42.53
CCCC(NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019734381	0	49	-1.0	-46.07	391.48	2.42	-43.65
CCCC(NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019734381	1	49	-1.0	-46.06	391.54	2.44	-43.62
CCCC(NC(=O)COCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019734382	0	42	-1.0	-50.11	354.80	5.36	-44.75
CCCC(NC(=O)COCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019734382	1	42	-1.0	-50.13	354.86	5.39	-44.74
CCCC(NC(=O)C1=CC2=C(C=C1Br)OCO2)C1=N[N-]N=N1	REAL300019734383	0	35	-1.0	-44.80	316.56	2.93	-41.87
CCCC(NC(=O)C1=CC2=C(C=C1Br)OCO2)C1=NN=N[N-]1	REAL300019734383	1	35	-1.0	-44.83	316.62	2.94	-41.89
CCCC(NC(=O)C1=CC(C(F)F)=CC=C1F)C1=N[N-]N=N1	REAL300019734384	0	35	-1.0	-49.10	311.00	4.56	-44.54
CCCC(NC(=O)C1=CC(C(F)F)=CC=C1F)C1=NN=N[N-]1	REAL300019734384	1	35	-1.0	-49.12	311.05	4.57	-44.55
CCCC(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019734385	0	46	-1.0	-52.89	372.21	4.47	-48.42
CCCC(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019734385	1	46	-1.0	-52.85	372.27	4.48	-48.37
CCCC(NC(=O)C1=C(C)N=C(SCC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019734386	0	45	-1.0	-43.87	403.60	6.51	-37.36
CCCC(NC(=O)C1=C(C)N=C(SCC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019734386	1	45	-1.0	-43.86	403.65	6.53	-37.33
CCCC(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019734387	0	39	-1.0	-49.94	341.78	4.74	-45.20
CCCC(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019734387	1	39	-1.0	-49.94	341.72	4.72	-45.22
CCCC(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300019734388	0	34	-1.0	-47.41	321.02	3.65	-43.76
CCCC(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300019734388	1	34	-1.0	-47.36	320.96	3.64	-43.72
CCCC(NC(=O)CCC1=CC(OC)=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL300019734389	0	47	-1.0	-47.74	389.80	2.11	-45.63
CCCC(NC(=O)CCC1=CC(OC)=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL300019734389	1	47	-1.0	-47.78	389.86	2.12	-45.66
CCCC(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL300019734390	0	42	-1.0	-49.98	356.61	3.54	-46.44
CCCC(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL300019734390	1	42	-1.0	-49.96	356.67	3.55	-46.41
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019734391	0	48	-1.0	-48.12	396.31	7.25	-40.87
CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019734391	1	48	-1.0	-48.12	396.37	7.27	-40.85
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300019734392	0	42	-1.0	-44.25	367.52	4.05	-40.20
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300019734392	1	42	-1.0	-44.28	367.46	4.04	-40.24
CCCC(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL300019734393	0	44	-1.0	-48.89	352.12	4.13	-44.76
CCCC(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL300019734393	1	44	-1.0	-48.88	352.18	4.14	-44.74
CCCC(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=NN=N[N-]1	REAL300019734394	0	35	-1.0	-49.43	323.02	3.86	-45.57
CCCC(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=N[N-]N=N1	REAL300019734394	1	35	-1.0	-49.43	322.96	3.85	-45.58
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300019734395	0	42	-1.0	-47.11	367.86	3.98	-43.13
CCCC(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300019734395	1	42	-1.0	-47.16	367.80	3.97	-43.19
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=N[N-]N=N1	REAL300019734396	0	43	-1.0	-49.65	359.01	4.09	-45.56
CCCC(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=NN=N[N-]1	REAL300019734396	1	43	-1.0	-49.67	359.06	4.10	-45.57
CCCC(NC(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019734397	0	43	-1.0	-48.78	360.35	4.14	-44.64
CCCC(NC(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019734397	1	43	-1.0	-48.74	360.41	4.16	-44.58
CCCC(NC(=O)C1=CC=NC2=C1CC(=O)N2)C1=N[N-]N=N1	REAL300019734398	0	36	-1.0	-46.45	309.97	1.27	-45.18
CCCC(NC(=O)C1=CC=NC2=C1CC(=O)N2)C1=NN=N[N-]1	REAL300019734398	1	36	-1.0	-46.45	310.03	1.29	-45.16
CCCC(NC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1)C1=NN=N[N-]1	REAL300019734399	0	38	-1.0	-51.85	342.08	5.16	-46.69
CCCC(NC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1)C1=N[N-]N=N1	REAL300019734399	1	38	-1.0	-51.82	342.02	5.14	-46.68
CCCC(NC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=N[N-]N=N1	REAL300019734400	0	53	-1.0	-46.81	414.09	4.87	-41.94
CCCC(NC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=NN=N[N-]1	REAL300019734400	1	53	-1.0	-46.83	414.15	4.88	-41.95
CCCC(NC(=O)C1=CC=C(C=CC(=O)OC)O1)C1=N[N-]N=N1	REAL300019734401	0	39	-1.0	-45.58	349.04	3.83	-41.75
CCCC(NC(=O)C1=CC=C(C=CC(=O)OC)O1)C1=NN=N[N-]1	REAL300019734401	1	39	-1.0	-45.59	349.10	3.84	-41.75
CCCC(NC(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019734402	0	48	-1.0	-46.01	384.93	7.13	-38.88
CCCC(NC(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019734402	1	48	-1.0	-46.03	384.99	7.16	-38.87
CCCC(NC(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019734403	0	58	-1.0	-48.57	444.16	5.93	-42.64
CCCC(NC(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019734403	1	58	-1.0	-48.57	444.21	5.95	-42.62
CCCC(NC(=O)C1=CC(C)=C(C(=O)OC)O1)C1=N[N-]N=N1	REAL300019734404	0	38	-1.0	-42.68	333.33	3.02	-39.66
CCCC(NC(=O)C1=CC(C)=C(C(=O)OC)O1)C1=NN=N[N-]1	REAL300019734404	1	38	-1.0	-42.66	333.39	3.03	-39.63
CCCC(NC(=O)CN1C=C(C(=O)OC)C=N1)C1=NN=N[N-]1	REAL300019734405	0	38	-1.0	-54.55	335.97	2.43	-52.12
CCCC(NC(=O)CN1C=C(C(=O)OC)C=N1)C1=N[N-]N=N1	REAL300019734405	1	38	-1.0	-54.57	335.91	2.42	-52.15
CCCC(NC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734406	0	57	-1.0	-42.27	437.07	3.91	-38.36
CCCC(NC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734406	1	57	-1.0	-42.27	437.13	3.92	-38.35
CCCC(NC(=O)C(C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C1=N[N-]N=N1	REAL300019734407	0	56	-1.0	-57.91	434.47	4.69	-53.22
CCCC(NC(=O)C(C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C1=NN=N[N-]1	REAL300019734407	1	56	-1.0	-57.88	434.53	4.71	-53.17
CCCC(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734408	0	48	-1.0	-51.02	384.78	2.35	-48.67
CCCC(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734408	1	48	-1.0	-51.05	384.83	2.37	-48.68
CCCC(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019734409	0	50	-1.0	-47.01	400.97	3.03	-43.98
CCCC(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019734409	1	50	-1.0	-47.00	401.02	3.04	-43.96
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL300019734410	0	37	-1.0	-46.75	331.40	-0.10	-46.85
CCCC(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL300019734410	1	37	-1.0	-46.69	331.45	-0.08	-46.77
CCCC(NC(=O)C1=C(C)C=C(S(N)(=O)=O)O1)C1=N[N-]N=N1	REAL300019734411	0	37	-1.0	-47.70	333.08	-2.70	-50.40
CCCC(NC(=O)C1=C(C)C=C(S(N)(=O)=O)O1)C1=NN=N[N-]1	REAL300019734411	1	37	-1.0	-47.71	333.14	-2.69	-50.40
CCCC(NC(=O)C1=CC(SC)=CC=C1O)C1=N[N-]N=N1	REAL300019734412	0	37	-1.0	-49.22	323.27	3.16	-46.06
CCCC(NC(=O)C1=CC(SC)=CC=C1O)C1=NN=N[N-]1	REAL300019734412	1	37	-1.0	-49.20	323.33	3.18	-46.02
CCCC(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019734413	0	36	-1.0	-46.89	328.52	2.10	-44.79
CCCC(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019734413	1	36	-1.0	-46.89	328.57	2.11	-44.78
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019734414	0	49	-1.0	-51.49	406.45	8.33	-43.16
CCCC(NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019734414	1	49	-1.0	-51.54	406.50	8.35	-43.19
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019734415	0	48	-1.0	-52.53	402.33	8.94	-43.59
CCCC(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019734415	1	48	-1.0	-52.52	402.28	8.92	-43.60
CCCC(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=NN=N[N-]1	REAL300019734416	0	40	-1.0	-41.28	350.63	3.10	-38.18
CCCC(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=N[N-]N=N1	REAL300019734416	1	40	-1.0	-41.26	350.56	3.09	-38.17
CCCC(NC(=O)C1CCC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300019734417	0	39	-1.0	-46.40	326.23	5.46	-40.94
CCCC(NC(=O)C1CCC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300019734417	1	39	-1.0	-46.39	326.29	5.48	-40.91
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300019734418	0	45	-1.0	-46.12	365.25	6.85	-39.27
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300019734418	1	45	-1.0	-46.14	365.31	6.86	-39.28
CCCC(NC(=O)C1=CN(CCOCC)N=C1)C1=NN=N[N-]1	REAL300019734419	0	42	-1.0	-46.39	356.44	2.27	-44.12
CCCC(NC(=O)C1=CN(CCOCC)N=C1)C1=N[N-]N=N1	REAL300019734419	1	42	-1.0	-46.38	356.38	2.25	-44.13
CCCC(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019734420	0	48	-1.0	-48.85	382.38	7.41	-41.44
CCCC(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019734420	1	48	-1.0	-48.87	382.43	7.42	-41.45
CCCC(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019734421	0	45	-1.0	-45.22	377.67	6.01	-39.21
CCCC(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019734421	1	45	-1.0	-45.20	377.61	5.99	-39.21
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1)C1=N[N-]N=N1	REAL300019734422	0	43	-1.0	-48.25	360.16	5.03	-43.22
CCCC(NC(=O)C=CC1=CC=CC(OCC)=C1)C1=NN=N[N-]1	REAL300019734422	1	43	-1.0	-48.24	360.22	5.05	-43.19
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019734423	0	40	-1.0	-47.18	338.25	4.12	-43.06
CCCC(NC(=O)C=CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019734423	1	40	-1.0	-47.18	338.31	4.14	-43.04
CCCC(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019734424	0	35	-1.0	-44.86	321.52	4.86	-40.00
CCCC(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019734424	1	35	-1.0	-44.85	321.57	4.87	-39.98
CCCC(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300019734425	0	39	-1.0	-45.58	351.38	4.49	-41.09
CCCC(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300019734425	1	39	-1.0	-45.61	351.44	4.51	-41.10
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL300019734426	0	49	-1.0	-50.67	396.71	3.37	-47.30
CCCC(NC(=O)C1=C(C)N(C2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL300019734426	1	49	-1.0	-50.66	396.77	3.38	-47.28
CCCC(NC(=O)C(CC)NC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL300019734427	0	42	-1.0	-49.44	350.38	2.44	-47.00
CCCC(NC(=O)C(CC)NC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL300019734427	1	42	-1.0	-49.45	350.33	2.42	-47.03
CCCC(NC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300019734428	0	41	-1.0	-47.24	363.01	4.00	-43.24
CCCC(NC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300019734428	1	41	-1.0	-47.28	363.07	4.02	-43.26
CCCC(NC(=O)C(OC)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL300019734429	0	43	-1.0	-49.49	360.21	3.75	-45.74
CCCC(NC(=O)C(OC)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL300019734429	1	43	-1.0	-49.46	360.27	3.76	-45.70
CCCC(NC(=O)CCCOCCOCCOC)C1=N[N-]N=N1	REAL300019734430	0	49	-1.0	-51.41	405.04	1.71	-49.70
CCCC(NC(=O)CCCOCCOCCOC)C1=NN=N[N-]1	REAL300019734430	1	49	-1.0	-51.42	405.10	1.72	-49.70
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C=C2C=C1)C1=N[N-]N=N1	REAL300019734431	0	46	-1.0	-49.96	378.74	5.13	-44.83
CCCC(NC(=O)C1=CC2=CC(OC)=C(OC)C=C2C=C1)C1=NN=N[N-]1	REAL300019734431	1	46	-1.0	-49.92	378.80	5.14	-44.78
CCCC(NC(=O)CC1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL300019734432	0	44	-1.0	-59.76	349.64	2.47	-57.29
CCCC(NC(=O)CC1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL300019734432	1	44	-1.0	-59.72	349.59	2.45	-57.27
CCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C1=N[N-]N=N1	REAL300019734433	0	45	-2.0	-122.71	383.74	4.58	-118.13
CCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C1=NN=N[N-]1	REAL300019734433	1	45	-2.0	-122.71	383.80	4.59	-118.12
CCCC(NC(=O)C1=CC(NC(C)=O)=CNC1=O)C1=N[N-]N=N1	REAL300019734434	0	39	-1.0	-69.29	335.65	-0.25	-69.54
CCCC(NC(=O)C1=CC(NC(C)=O)=CNC1=O)C1=NN=N[N-]1	REAL300019734434	1	39	-1.0	-69.28	335.71	-0.23	-69.51
CCCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300019734435	0	38	-2.0	-108.81	331.24	3.42	-105.39
CCCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300019734435	1	38	-2.0	-108.81	331.19	3.41	-105.40
CCCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300019734435	1	38	-2.0	-108.59	331.35	3.42	-105.17
CCCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300019734435	1	38	-2.0	-108.61	331.29	3.41	-105.20
CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300019734436	0	35	-2.0	-82.50	317.51	0.29	-82.21
CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300019734436	1	35	-2.0	-82.50	317.46	0.27	-82.23
CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300019734436	1	35	-2.0	-82.47	317.58	0.29	-82.18
CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300019734436	1	35	-2.0	-82.48	317.52	0.27	-82.21
CCCC(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300019734437	0	44	-1.0	-56.87	384.36	3.35	-53.52
CCCC(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300019734437	1	44	-1.0	-56.84	384.30	3.33	-53.51
CCCC(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019734438	0	38	-1.0	-42.34	360.37	1.24	-41.10
CCCC(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019734438	1	38	-1.0	-42.36	360.31	1.22	-41.14
CCCC(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=N[N-]N=N1	REAL300019734439	0	32	-1.0	-44.75	292.36	1.15	-43.60
CCCC(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=NN=N[N-]1	REAL300019734439	1	32	-1.0	-44.81	292.42	1.17	-43.64
CCCC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300019734440	0	38	-2.0	-95.58	332.95	-1.20	-96.78
CCCC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300019734440	1	38	-2.0	-95.51	333.00	-1.18	-96.69
CCCC(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=NN=N[N-]1	REAL300019734441	0	44	-1.0	-50.83	367.38	4.67	-46.16
CCCC(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=N[N-]N=N1	REAL300019734441	1	44	-1.0	-50.83	367.32	4.65	-46.18
CCCC(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL300019734442	0	46	-1.0	-44.33	370.65	3.36	-40.97
CCCC(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL300019734442	1	46	-1.0	-44.31	370.70	3.37	-40.94
CCCC(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300019734443	0	43	-1.0	-52.27	355.32	1.56	-50.71
CCCC(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300019734443	1	43	-1.0	-52.31	355.38	1.57	-50.74
CCCC(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=N[N-]N=N1	REAL300019734444	0	37	-1.0	-44.84	312.30	3.01	-41.83
CCCC(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=NN=N[N-]1	REAL300019734444	1	37	-1.0	-44.83	312.35	3.03	-41.80
CCCC(NC(=O)C1=C(C)NN=C1I)C1=N[N-]N=N1	REAL300019734445	0	32	-1.0	-47.18	307.72	1.44	-45.74
CCCC(NC(=O)C1=C(C)NN=C1I)C1=NN=N[N-]1	REAL300019734445	1	32	-1.0	-47.21	307.78	1.46	-45.75
CCCC(NC(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019734446	0	41	-1.0	-48.67	345.42	4.78	-43.89
CCCC(NC(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019734446	1	41	-1.0	-48.69	345.48	4.79	-43.90
CCCC(NC(=O)CCC1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019734447	0	40	-1.0	-46.16	343.82	-0.33	-46.49
CCCC(NC(=O)CCC1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019734447	1	40	-1.0	-46.12	343.88	-0.31	-46.43
CCCC(NC(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=N[N-]N=N1	REAL300019734448	0	50	-1.0	-49.15	404.40	0.29	-48.86
CCCC(NC(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=NN=N[N-]1	REAL300019734448	1	50	-1.0	-49.13	404.45	0.30	-48.83
CCCC(NC(=O)C1=CC=NC(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300019734449	0	38	-1.0	-50.46	327.09	2.22	-48.24
CCCC(NC(=O)C1=CC=NC(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300019734449	1	38	-1.0	-50.49	327.03	2.20	-48.29
CCCC(NC(=O)C1=CC=CC(NCC(C)(C)C)=C1C)C1=N[N-]N=N1	REAL300019734450	0	52	-1.0	-46.07	400.38	6.19	-39.88
CCCC(NC(=O)C1=CC=CC(NCC(C)(C)C)=C1C)C1=NN=N[N-]1	REAL300019734450	1	52	-1.0	-46.12	400.43	6.20	-39.92
CCCC(NC(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=NN=N[N-]1	REAL300019734451	0	41	-1.0	-50.53	352.90	6.71	-43.82
CCCC(NC(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=N[N-]N=N1	REAL300019734451	1	41	-1.0	-50.53	352.84	6.69	-43.84
CCCC(NC(=O)C1=NC=C2C(F)=CC=CN21)C1=NN=N[N-]1	REAL300019734452	0	35	-1.0	-46.97	308.10	4.23	-42.74
CCCC(NC(=O)C1=NC=C2C(F)=CC=CN21)C1=N[N-]N=N1	REAL300019734452	1	35	-1.0	-46.97	308.05	4.21	-42.76
CCCC(NC(=O)CC1=CNC2=CC=C(Br)C=C12)C1=N[N-]N=N1	REAL300019734453	0	39	-1.0	-47.27	352.20	4.97	-42.30
CCCC(NC(=O)CC1=CNC2=CC=C(Br)C=C12)C1=NN=N[N-]1	REAL300019734453	1	39	-1.0	-47.26	352.26	4.99	-42.27
CCCC(NC(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300019734454	0	40	-1.0	-51.58	350.54	3.53	-48.05
CCCC(NC(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300019734454	1	40	-1.0	-51.55	350.60	3.55	-48.00
CCCC(NC(=O)C1=CC2=C(CCCC2O)NC1=O)C1=N[N-]N=N1	REAL300019734455	0	43	-1.0	-56.35	347.19	0.08	-56.27
CCCC(NC(=O)C1=CC2=C(CCCC2O)NC1=O)C1=NN=N[N-]1	REAL300019734455	1	43	-1.0	-56.32	347.25	0.10	-56.22
CCCC(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019734456	0	41	-1.0	-46.46	352.47	3.67	-42.79
CCCC(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019734456	1	41	-1.0	-46.44	352.41	3.66	-42.78
CCCC(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=N[N-]N=N1	REAL300019734457	0	37	-1.0	-48.12	335.13	0.11	-48.01
CCCC(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=NN=N[N-]1	REAL300019734457	1	37	-1.0	-48.12	335.19	0.13	-47.99
CCCC(NC(=O)C1=CNN=C1I)C1=N[N-]N=N1	REAL300019734458	0	29	-1.0	-48.10	281.12	0.95	-47.15
CCCC(NC(=O)C1=CNN=C1I)C1=NN=N[N-]1	REAL300019734458	1	29	-1.0	-48.16	281.17	0.97	-47.19
CCCC(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=N[N-]N=N1	REAL300019734459	0	35	-1.0	-46.69	319.26	-1.57	-48.26
CCCC(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=NN=N[N-]1	REAL300019734459	1	35	-1.0	-46.70	319.32	-1.56	-48.26
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=N[N-]N=N1	REAL300019734460	0	54	-1.0	-45.53	416.18	2.11	-43.42
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=NN=N[N-]1	REAL300019734460	1	54	-1.0	-45.58	416.24	2.12	-43.46
C#CCN(CC(=O)NC(CCC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019734461	0	47	-1.0	-56.77	388.32	4.79	-51.98
C#CCN(CC(=O)NC(CCC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019734461	1	47	-1.0	-56.77	388.38	4.81	-51.96
CCCC(NC(=O)CC1CCCS1(=O)=O)C1=N[N-]N=N1	REAL300019734462	0	38	-1.0	-68.10	319.76	0.23	-67.87
CCCC(NC(=O)CC1CCCS1(=O)=O)C1=NN=N[N-]1	REAL300019734462	1	38	-1.0	-68.14	319.82	0.24	-67.90
CCCC(NC(=O)C=CC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019734463	0	41	-1.0	-44.79	352.74	5.38	-39.41
CCCC(NC(=O)C=CC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019734463	1	41	-1.0	-44.79	352.79	5.39	-39.40
CCCC(NC(=O)C1=CC=C2NC=NC2=C1F)C1=N[N-]N=N1	REAL300019734464	0	35	-1.0	-60.66	304.46	3.34	-57.32
CCCC(NC(=O)C1=CC=C2NC=NC2=C1F)C1=NN=N[N-]1	REAL300019734464	1	35	-1.0	-60.62	304.52	3.35	-57.27
CCCC(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=NN=N[N-]1	REAL300019734465	0	39	-1.0	-56.75	335.41	3.56	-53.19
CCCC(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=N[N-]N=N1	REAL300019734465	1	39	-1.0	-56.70	335.35	3.55	-53.15
CCCC(NC(=O)C1=CN=C(Br)N1CC)C1=NN=N[N-]1	REAL300019734466	0	35	-1.0	-42.46	316.96	3.42	-39.04
CCCC(NC(=O)C1=CN=C(Br)N1CC)C1=N[N-]N=N1	REAL300019734466	1	35	-1.0	-42.50	316.90	3.40	-39.10
CCCC(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=N[N-]N=N1	REAL300019734467	0	35	-1.0	-55.24	315.52	1.84	-53.40
CCCC(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=NN=N[N-]1	REAL300019734467	1	35	-1.0	-55.18	315.58	1.85	-53.33
CCCC(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019734468	0	47	-1.0	-47.18	400.65	-0.01	-47.19
CCCC(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019734468	1	47	-1.0	-47.15	400.70	0.01	-47.14
CCCC(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019734469	0	35	-1.0	-44.07	321.99	4.77	-39.30
CCCC(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019734469	1	35	-1.0	-44.03	321.93	4.75	-39.28
CCCC(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=N[N-]N=N1	REAL300019734470	0	51	-1.0	-44.28	418.40	2.33	-41.95
CCCC(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NN=N[N-]1	REAL300019734470	1	51	-1.0	-44.29	418.45	2.35	-41.94
CCCC(NC(=O)C1=CC(I)=NN1C)C1=NN=N[N-]1	REAL300019734471	0	32	-1.0	-41.75	303.17	2.27	-39.48
CCCC(NC(=O)C1=CC(I)=NN1C)C1=N[N-]N=N1	REAL300019734471	1	32	-1.0	-41.71	303.11	2.27	-39.44
CCCC(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019734472	0	55	-1.0	-52.30	425.73	3.67	-48.63
CCCC(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019734472	1	55	-1.0	-52.33	425.79	3.69	-48.64
CCCC(NC(=O)C(C)=CC1=CC=C(Br)O1)C1=N[N-]N=N1	REAL300019734473	0	36	-1.0	-43.71	325.10	4.55	-39.16
CCCC(NC(=O)C(C)=CC1=CC=C(Br)O1)C1=NN=N[N-]1	REAL300019734473	1	36	-1.0	-43.72	325.16	4.56	-39.16
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=NN=N[N-]1	REAL300019734474	0	42	-1.0	-49.90	377.68	4.49	-45.41
CCCC(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=N[N-]N=N1	REAL300019734474	1	42	-1.0	-49.90	377.62	4.48	-45.42
CCCC(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=N[N-]N=N1	REAL300019734475	0	38	-1.0	-55.97	327.55	3.43	-52.54
CCCC(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=NN=N[N-]1	REAL300019734475	1	38	-1.0	-55.93	327.61	3.44	-52.49
CCCC(NC(=O)C1=CC=C(C)C(N2C(C)=CC(C=O)=C2C)=C1)C1=N[N-]N=N1	REAL300019734476	0	51	-1.0	-51.50	422.52	8.24	-43.26
CCCC(NC(=O)C1=CC=C(C)C(N2C(C)=CC(C=O)=C2C)=C1)C1=NN=N[N-]1	REAL300019734476	1	51	-1.0	-51.49	422.58	8.25	-43.24
CCCC(NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=N[N-]N=N1	REAL300019734477	0	48	-1.0	-50.59	399.17	7.25	-43.34
CCCC(NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=NN=N[N-]1	REAL300019734477	1	48	-1.0	-50.57	399.22	7.26	-43.31
CCCC(NC(=O)CC1=CC=C(N2C(C)=CC(C=O)=C2C)C=C1)C1=N[N-]N=N1	REAL300019734478	0	51	-1.0	-50.20	429.67	8.02	-42.18
CCCC(NC(=O)CC1=CC=C(N2C(C)=CC(C=O)=C2C)C=C1)C1=NN=N[N-]1	REAL300019734478	1	51	-1.0	-50.16	429.72	8.04	-42.12
CCCC(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=N[N-]N=N1	REAL300019734479	0	34	-1.0	-51.12	318.83	3.96	-47.16
CCCC(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=NN=N[N-]1	REAL300019734479	1	34	-1.0	-51.12	318.89	3.98	-47.14
CCCC(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=NN=N[N-]1	REAL300019734480	0	39	-1.0	-47.59	332.35	-1.49	-49.08
CCCC(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=N[N-]N=N1	REAL300019734480	1	39	-1.0	-47.57	332.29	-1.50	-49.07
CCCC(NC(=O)C1=CN2C(C=O)=CN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019734481	0	37	-1.0	-43.01	345.59	4.31	-38.70
CCCC(NC(=O)C1=CN2C(C=O)=CN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019734481	1	37	-1.0	-43.00	345.53	4.29	-38.71
CCCC(NC(=O)C1=CN=C2SC=CC2=C1)C1=NN=N[N-]1	REAL300019734482	0	34	-1.0	-45.46	306.30	3.10	-42.36
CCCC(NC(=O)C1=CN=C2SC=CC2=C1)C1=N[N-]N=N1	REAL300019734482	1	34	-1.0	-45.48	306.24	3.09	-42.39
CCCC(NC(=O)CC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL300019734483	0	31	-1.0	-45.67	288.83	2.62	-43.05
CCCC(NC(=O)CC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL300019734483	1	31	-1.0	-45.73	288.89	2.63	-43.10
CCCC(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NN=N[N-]1	REAL300019734484	0	34	-1.0	-44.14	317.23	2.71	-41.43
CCCC(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=N[N-]N=N1	REAL300019734484	1	34	-1.0	-44.08	317.17	2.69	-41.39
CCCC(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300019734485	0	46	-1.0	-54.76	389.15	2.69	-52.07
CCCC(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300019734485	1	46	-1.0	-54.71	389.21	2.70	-52.01
CCCC(NC(=O)C1=COC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019734486	0	31	-1.0	-41.58	294.91	-0.61	-42.19
CCCC(NC(=O)C1=COC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019734486	1	31	-1.0	-41.55	294.85	-0.63	-42.18
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=NN=N[N-]1	REAL300019734487	0	34	-1.0	-46.60	321.80	3.02	-43.58
CCCC(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=N[N-]N=N1	REAL300019734487	1	34	-1.0	-46.62	321.75	3.01	-43.61
CCCC(NC(=O)C1=CC(C=O)=CC=C1OC)C1=N[N-]N=N1	REAL300019734488	0	38	-1.0	-56.64	324.75	3.91	-52.73
CCCC(NC(=O)C1=CC(C=O)=CC=C1OC)C1=NN=N[N-]1	REAL300019734488	1	38	-1.0	-56.63	324.81	3.92	-52.71
CCCC(NC(=O)C1CN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL300019734489	0	37	-1.0	-47.21	325.17	-1.41	-48.62
CCCC(NC(=O)C1CN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL300019734489	1	37	-1.0	-47.22	325.23	-1.39	-48.61
CCCC(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019734490	0	42	-1.0	-45.78	365.88	6.60	-39.18
CCCC(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019734490	1	42	-1.0	-45.77	365.94	6.61	-39.16
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019734491	0	45	-1.0	-46.84	382.85	5.18	-41.66
CCCC(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019734491	1	45	-1.0	-46.85	382.79	5.16	-41.69
CCCC(NC(=O)[C@H]1CC[C@@H](CN2C=NC3=C(N)N=CN=C32)O1)C1=N[N-]N=N1	REAL300019734492	0	49	-1.0	-51.78	409.70	4.95	-46.83
CCCC(NC(=O)[C@H]1CC[C@@H](CN2C=NC3=C(N)N=CN=C32)O1)C1=NN=N[N-]1	REAL300019734492	1	49	-1.0	-51.77	409.76	4.97	-46.80
CCCC(NC(=O)C1=CC=C(OC(C)C(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300019734493	0	44	-1.0	-43.19	377.68	3.24	-39.95
CCCC(NC(=O)C1=CC=C(OC(C)C(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300019734493	1	44	-1.0	-43.20	377.74	3.25	-39.95
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=NN=N[N-]1	REAL300019734494	0	38	-1.0	-47.05	354.35	4.20	-42.85
CCCC(NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=N[N-]N=N1	REAL300019734494	1	38	-1.0	-46.99	354.29	4.19	-42.80
CCCC(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019734495	0	48	-1.0	-48.73	403.88	5.86	-42.87
CCCC(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019734495	1	48	-1.0	-48.75	403.94	5.88	-42.87
CCCC(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300019734496	0	46	-1.0	-52.16	376.98	6.40	-45.76
CCCC(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300019734496	1	46	-1.0	-52.15	377.04	6.42	-45.73
CCCC(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300019734497	0	44	-1.0	-56.52	365.24	0.23	-56.29
CCCC(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300019734497	1	44	-1.0	-56.57	365.30	0.26	-56.31
CCCC(NC(=O)C1=CC(C(=O)OC)=NN1C)C1=NN=N[N-]1	REAL300019734498	0	38	-1.0	-43.63	331.74	1.93	-41.70
CCCC(NC(=O)C1=CC(C(=O)OC)=NN1C)C1=N[N-]N=N1	REAL300019734498	1	38	-1.0	-43.61	331.68	1.91	-41.70
CCCC(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C1=N[N-]N=N1	REAL300019734499	0	42	-1.0	-50.79	351.40	3.78	-47.01
CCCC(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C1=NN=N[N-]1	REAL300019734499	1	42	-1.0	-50.78	351.45	3.79	-46.99
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=N[N-]N=N1	REAL300019734500	0	53	-1.0	-47.44	423.97	7.90	-39.54
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=NN=N[N-]1	REAL300019734500	1	53	-1.0	-47.45	424.03	7.92	-39.53
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2OC)C=C1)C1=N[N-]N=N1	REAL300019734501	0	48	-1.0	-47.78	392.64	5.35	-42.43
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2OC)C=C1)C1=NN=N[N-]1	REAL300019734501	1	48	-1.0	-47.80	392.70	5.37	-42.43
CCCC(NC(=O)C1=CC=C(NC2=CC=C(OC)C=C2OC)C=C1)C1=N[N-]N=N1	REAL300019734502	0	52	-1.0	-50.46	426.66	4.71	-45.75
CCCC(NC(=O)C1=CC=C(NC2=CC=C(OC)C=C2OC)C=C1)C1=NN=N[N-]1	REAL300019734502	1	52	-1.0	-50.49	426.72	4.73	-45.76
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019734503	0	56	-1.0	-45.79	433.37	8.86	-36.93
CCCC(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019734503	1	56	-1.0	-45.84	433.43	8.87	-36.97
CCCC(NC(=O)C=CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300019734504	0	33	-1.0	-44.14	316.08	4.54	-39.60
CCCC(NC(=O)C=CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300019734504	1	33	-1.0	-44.11	316.14	4.55	-39.56
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300019734505	0	40	-1.0	-49.43	353.69	4.67	-44.76
CCCC(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300019734505	1	40	-1.0	-49.44	353.75	4.68	-44.76
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019734506	0	43	-1.0	-48.57	352.38	2.26	-46.31
CCCC(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019734506	1	43	-1.0	-48.58	352.32	2.24	-46.34
CCCC(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=N[N-]N=N1	REAL300019734507	0	45	-1.0	-42.32	352.24	4.15	-38.17
CCCC(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NN=N[N-]1	REAL300019734507	1	45	-1.0	-42.35	352.29	4.17	-38.18
CCCC(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=N[N-]N=N1	REAL300019734508	0	40	-1.0	-47.56	346.54	6.64	-40.92
CCCC(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=NN=N[N-]1	REAL300019734508	1	40	-1.0	-47.57	346.60	6.65	-40.92
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019734509	0	42	-1.0	-45.87	355.32	6.15	-39.72
CCCC(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019734509	1	42	-1.0	-45.87	355.38	6.17	-39.70
CCCC(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019734510	0	40	-1.0	-51.83	334.49	1.99	-49.84
CCCC(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019734510	1	40	-1.0	-51.81	334.55	2.01	-49.80
CCCC(NC(=O)CC1CCC(F)(F)CC1)C1=N[N-]N=N1	REAL300019734511	0	41	-1.0	-43.89	329.88	4.71	-39.18
CCCC(NC(=O)CC1CCC(F)(F)CC1)C1=NN=N[N-]1	REAL300019734511	1	41	-1.0	-43.92	329.94	4.73	-39.19
CCCC(NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019734512	0	38	-1.0	-57.55	340.80	3.35	-54.20
CCCC(NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019734512	1	38	-1.0	-57.55	340.75	3.34	-54.21
CCCC(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734513	0	46	-1.0	-46.28	373.76	-1.96	-48.24
CCCC(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734513	1	46	-1.0	-46.32	373.82	-1.94	-48.26
CCCC(NC(=O)C1=CC=C(CO)C=C1OC)C1=N[N-]N=N1	REAL300019734514	0	40	-1.0	-52.87	334.42	1.49	-51.38
CCCC(NC(=O)C1=CC=C(CO)C=C1OC)C1=NN=N[N-]1	REAL300019734514	1	40	-1.0	-52.88	334.48	1.50	-51.38
CCCC(NC(=O)CC1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL300019734515	0	46	-1.0	-50.21	356.60	2.63	-47.58
CCCC(NC(=O)CC1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL300019734515	1	46	-1.0	-50.22	356.66	2.64	-47.58
CCCC(NC(=O)C1=CC(C=O)=C(OC)C=C1OC)C1=N[N-]N=N1	REAL300019734516	0	42	-1.0	-53.04	351.91	4.54	-48.50
CCCC(NC(=O)C1=CC(C=O)=C(OC)C=C1OC)C1=NN=N[N-]1	REAL300019734516	1	42	-1.0	-53.04	351.96	4.55	-48.49
CCCC(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019734517	0	44	-1.0	-57.71	373.97	4.49	-53.22
CCCC(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019734517	1	44	-1.0	-57.66	373.91	4.46	-53.20
CCCC(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019734518	0	47	-1.0	-50.29	395.41	5.24	-45.05
CCCC(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019734518	1	47	-1.0	-50.31	395.47	5.26	-45.05
CCCC(NC(=O)CC(O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019734519	0	46	-1.0	-53.19	385.70	2.99	-50.20
CCCC(NC(=O)CC(O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019734519	1	46	-1.0	-53.16	385.75	3.00	-50.16
CCCC(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=N[N-]N=N1	REAL300019734520	0	43	-1.0	-52.58	363.16	4.60	-47.98
CCCC(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=NN=N[N-]1	REAL300019734520	1	43	-1.0	-52.55	363.22	4.62	-47.93
CCCC(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019734521	0	52	-1.0	-53.51	405.83	4.43	-49.08
CCCC(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019734521	1	52	-1.0	-53.53	405.89	4.44	-49.09
CCCC(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019734522	0	38	-1.0	-50.83	342.13	5.00	-45.83
CCCC(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019734522	1	38	-1.0	-50.84	342.07	4.99	-45.85
CCCC(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=N[N-]N=N1	REAL300019734523	0	42	-1.0	-63.78	354.81	1.95	-61.83
CCCC(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NN=N[N-]1	REAL300019734523	1	42	-1.0	-63.84	354.87	1.96	-61.88
CCCC(NC(=O)C1=CN2CC(C)CCC2=N1)C1=N[N-]N=N1	REAL300019734524	0	42	-1.0	-50.00	342.42	4.36	-45.64
CCCC(NC(=O)C1=CN2CC(C)CCC2=N1)C1=NN=N[N-]1	REAL300019734524	1	42	-1.0	-49.99	342.48	4.38	-45.61
CCCC(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019734525	0	46	-1.0	-48.34	383.01	8.22	-40.12
CCCC(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019734525	1	46	-1.0	-48.37	383.06	8.24	-40.13
CCCC(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300019734526	0	42	-1.0	-58.74	346.99	2.95	-55.79
CCCC(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300019734526	1	42	-1.0	-58.74	346.93	2.94	-55.80
CCCC(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL300019734527	0	38	-1.0	-49.35	330.78	-0.64	-49.99
CCCC(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL300019734527	1	38	-1.0	-49.38	330.72	-0.65	-50.03
CCCC(NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=N[N-]N=N1	REAL300019734528	0	42	-1.0	-50.33	361.82	2.92	-47.41
CCCC(NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=NN=N[N-]1	REAL300019734528	1	42	-1.0	-50.31	361.88	2.94	-47.37
CCCC(NC(=O)C1CC2CSCC(C1)C2=O)C1=N[N-]N=N1	REAL300019734529	0	42	-1.0	-48.94	334.84	3.83	-45.11
CCCC(NC(=O)C1CC2CSCC(C1)C2=O)C1=NN=N[N-]1	REAL300019734529	1	42	-1.0	-48.95	334.90	3.85	-45.10
CCCC(NC(=O)CN1CCCC(C(=O)OCC)C1)C1=N[N-]N=N1	REAL300019734530	0	49	-1.0	-54.99	391.34	3.28	-51.71
CCCC(NC(=O)CN1CCCC(C(=O)OCC)C1)C1=NN=N[N-]1	REAL300019734530	1	49	-1.0	-55.03	391.40	3.30	-51.73
CCCC(NC(=O)C[N@@H+]1CCCC(C(=O)OCC)C1)C1=NN=N[N-]1	REAL300019734530	1	50	0.0	-54.64	392.86	5.45	-49.19
CCCC(NC(=O)C[N@H+]1CCCC(C(=O)OCC)C1)C1=NN=N[N-]1	REAL300019734530	1	50	0.0	-54.69	392.88	5.45	-49.24
CCCC(NC(=O)C(C(C)CC)N1C=CC=C1C=O)C1=N[N-]N=N1	REAL300019734531	0	47	-1.0	-46.70	370.05	5.39	-41.31
CCCC(NC(=O)C(C(C)CC)N1C=CC=C1C=O)C1=NN=N[N-]1	REAL300019734531	1	47	-1.0	-46.66	370.11	5.40	-41.26
CCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019734532	0	52	0.0	-69.45	386.23	4.31	-65.14
CCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019734532	1	52	0.0	-69.41	386.27	4.31	-65.10
CCCC(NC(=O)C1CCC(N2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019734532	1	51	-1.0	-46.87	383.48	2.06	-44.81
CCCC(NC(=O)C1CCC(N2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019734532	1	51	-1.0	-46.87	383.54	2.08	-44.79
CCCC(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=N[N-]N=N1	REAL300019734533	0	34	-1.0	-47.71	307.52	3.48	-44.23
CCCC(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=NN=N[N-]1	REAL300019734533	1	34	-1.0	-47.80	307.58	3.50	-44.30
CCCC(NC(=O)C1N(C(=O)OCC2=CC=CC=C2)CC1(C)C)C1=N[N-]N=N1	REAL300019734534	0	53	-1.0	-62.00	435.54	6.83	-55.17
CCCC(NC(=O)C1N(C(=O)OCC2=CC=CC=C2)CC1(C)C)C1=NN=N[N-]1	REAL300019734534	1	53	-1.0	-62.00	435.59	6.85	-55.15
CCCC(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=N[N-]N=N1	REAL300019734535	0	42	-1.0	-48.28	340.16	2.24	-46.04
CCCC(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=NN=N[N-]1	REAL300019734535	1	42	-1.0	-48.28	340.22	2.25	-46.03
CCCC(NC(=O)C1=CN2CCC(C)CC2=N1)C1=N[N-]N=N1	REAL300019734536	0	42	-1.0	-50.24	342.42	4.38	-45.86
CCCC(NC(=O)C1=CN2CCC(C)CC2=N1)C1=NN=N[N-]1	REAL300019734536	1	42	-1.0	-50.26	342.48	4.39	-45.87
CCCC(NC(=O)C1CCCC2=C1N=CS2)C1=N[N-]N=N1	REAL300019736202	0	38	-1.0	-47.03	321.54	3.66	-43.37
CCCC(NC(=O)C1CCCC2=C1N=CS2)C1=NN=N[N-]1	REAL300019736202	1	38	-1.0	-47.01	321.60	3.67	-43.34
CCCC(NC(=O)C1CC(F)(F)CCC1(C)C)C1=N[N-]N=N1	REAL300019736203	0	44	-1.0	-42.57	335.86	4.80	-37.77
CCCC(NC(=O)C1CC(F)(F)CCC1(C)C)C1=NN=N[N-]1	REAL300019736203	1	44	-1.0	-42.59	335.91	4.82	-37.77
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019736204	0	44	-1.0	-48.52	374.41	6.34	-42.18
CCCC(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019736204	1	44	-1.0	-48.56	374.35	6.33	-42.23
CCCC(NC(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=N[N-]N=N1	REAL300019736205	0	42	-1.0	-49.78	362.84	6.43	-43.35
CCCC(NC(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=NN=N[N-]1	REAL300019736205	1	42	-1.0	-49.82	362.90	6.45	-43.37
CCCC(NC(=O)C1=CN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300019736206	0	31	-1.0	-40.73	302.82	1.95	-38.78
CCCC(NC(=O)C1=CN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300019736206	1	31	-1.0	-40.74	302.77	1.94	-38.80
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NN1)C1=N[N-]N=N1	REAL300019736207	0	39	-1.0	-51.05	330.56	1.63	-49.42
CCCC(NC(=O)C1=C2C=C(OC)C=CC2=NN1)C1=NN=N[N-]1	REAL300019736207	1	39	-1.0	-51.02	330.62	1.65	-49.37
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2N1)C1=N[N-]N=N1	REAL300019736208	0	43	-1.0	-46.99	355.19	3.53	-43.46
CCCC(NC(=O)C1=C(C)C2=CC(OC)=CC=C2N1)C1=NN=N[N-]1	REAL300019736208	1	43	-1.0	-47.05	355.25	3.54	-43.51
CCCC(NC(=O)C(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019736209	0	31	-1.0	-41.22	303.82	3.04	-38.18
CCCC(NC(=O)C(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL300019736209	1	31	-1.0	-41.19	303.87	3.05	-38.14
CCCC(NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=N[N-]N=N1	REAL300019736210	0	41	-1.0	-43.64	349.12	5.73	-37.91
CCCC(NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=NN=N[N-]1	REAL300019736210	1	41	-1.0	-43.67	349.18	5.74	-37.93
CCCC(NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=N[N-]N=N1	REAL300019736211	0	42	-1.0	-46.45	353.60	3.14	-43.31
CCCC(NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=NN=N[N-]1	REAL300019736211	1	42	-1.0	-46.45	353.66	3.15	-43.30
CCCC(NC(=O)C1=CSC(Br)=C1Cl)C1=N[N-]N=N1	REAL300019736212	0	29	-1.0	-46.67	300.03	3.76	-42.91
CCCC(NC(=O)C1=CSC(Br)=C1Cl)C1=NN=N[N-]1	REAL300019736212	1	29	-1.0	-46.68	300.09	3.77	-42.91
CCCC(NC(=O)CCN(CC)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736213	0	51	-1.0	-45.48	403.12	4.57	-40.91
CCCC(NC(=O)CCN(CC)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736213	1	51	-1.0	-45.48	403.18	4.58	-40.90
CCCC(NC(=O)C(F)(F)CCN1C=CN=N1)C1=NN=N[N-]1	REAL300019736214	0	37	-1.0	-47.00	326.93	2.00	-45.00
CCCC(NC(=O)C(F)(F)CCN1C=CN=N1)C1=N[N-]N=N1	REAL300019736214	1	37	-1.0	-46.97	326.87	1.98	-44.99
CCCC(NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL300019736215	0	38	-1.0	-40.11	328.95	4.87	-35.24
CCCC(NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL300019736215	1	38	-1.0	-40.09	328.89	4.85	-35.24
CCCC(NC(=O)C(F)(F)CCN1C=CC=N1)C1=NN=N[N-]1	REAL300019736216	0	38	-1.0	-44.22	333.13	3.23	-40.99
CCCC(NC(=O)C(F)(F)CCN1C=CC=N1)C1=N[N-]N=N1	REAL300019736216	1	38	-1.0	-44.23	333.07	3.21	-41.02
CCCC(NC(=O)CC1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL300019736217	0	41	-1.0	-50.25	337.42	0.59	-49.66
CCCC(NC(=O)CC1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL300019736217	1	41	-1.0	-50.30	337.47	0.61	-49.69
CCCC(NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=N[N-]N=N1	REAL300019736218	0	37	-1.0	-52.21	325.46	-0.68	-52.89
CCCC(NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=NN=N[N-]1	REAL300019736218	1	37	-1.0	-52.25	325.52	-0.66	-52.91
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1F)C1=N[N-]N=N1	REAL300019736219	0	36	-1.0	-47.04	328.63	3.68	-43.36
CCCC(NC(=O)C1=CC(Br)=C(OC)C=C1F)C1=NN=N[N-]1	REAL300019736219	1	36	-1.0	-47.02	328.69	3.69	-43.33
CCCC(NC(=O)C1=CC=CC(I)=C1F)C1=N[N-]N=N1	REAL300019736220	0	32	-1.0	-50.37	305.75	4.75	-45.62
CCCC(NC(=O)C1=CC=CC(I)=C1F)C1=NN=N[N-]1	REAL300019736220	1	32	-1.0	-50.39	305.81	4.77	-45.62
CCCC(NC(=O)C1=CC=CC(C(C)C)=C1F)C1=N[N-]N=N1	REAL300019736221	0	41	-1.0	-52.54	337.65	5.56	-46.98
CCCC(NC(=O)C1=CC=CC(C(C)C)=C1F)C1=NN=N[N-]1	REAL300019736221	1	41	-1.0	-52.56	337.71	5.58	-46.98
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1F)C1=N[N-]N=N1	REAL300019736222	0	41	-1.0	-50.11	339.01	5.61	-44.50
CCCC(NC(=O)C1=CC(C(C)C)=CC=C1F)C1=NN=N[N-]1	REAL300019736222	1	41	-1.0	-50.06	339.07	5.62	-44.44
CCCC(NC(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019736223	0	38	-1.0	-53.10	324.02	5.94	-47.16
CCCC(NC(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019736223	1	38	-1.0	-53.07	324.08	5.95	-47.12
CCCC(NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=N[N-]N=N1	REAL300019736224	0	38	-1.0	-46.92	334.00	5.30	-41.62
CCCC(NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=NN=N[N-]1	REAL300019736224	1	38	-1.0	-46.85	334.06	5.31	-41.54
CCCC(NC(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019736225	0	45	-1.0	-43.88	379.74	5.33	-38.55
CCCC(NC(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019736225	1	45	-1.0	-43.89	379.80	5.36	-38.53
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CS2)C1=N[N-]N=N1	REAL300019736226	0	39	-1.0	-48.69	354.29	3.28	-45.41
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CS2)C1=NN=N[N-]1	REAL300019736226	1	39	-1.0	-48.68	354.35	3.29	-45.39
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)OC)S2)N1)C1=N[N-]N=N1	REAL300019736227	0	39	-1.0	-45.04	354.53	3.41	-41.63
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)OC)S2)N1)C1=NN=N[N-]1	REAL300019736227	1	39	-1.0	-45.04	354.59	3.43	-41.61
CCCC(NC(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019736228	0	55	-1.0	-49.17	446.82	4.75	-44.42
CCCC(NC(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019736228	1	55	-1.0	-49.13	446.88	4.77	-44.36
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736229	0	55	-1.0	-46.29	425.73	3.67	-42.62
CCCC(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736229	1	55	-1.0	-46.28	425.79	3.69	-42.59
CCCC(NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736230	0	48	-1.0	-44.99	393.19	1.89	-43.10
CCCC(NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736230	1	48	-1.0	-44.99	393.25	1.90	-43.09
CCCC(NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=N[N-]N=N1	REAL300019736231	0	42	-1.0	-49.67	356.80	3.28	-46.39
CCCC(NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=NN=N[N-]1	REAL300019736231	1	42	-1.0	-49.68	356.86	3.30	-46.38
CCCC(NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019736232	0	46	-1.0	-48.02	372.58	7.15	-40.87
CCCC(NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019736232	1	46	-1.0	-48.05	372.64	7.16	-40.89
CCCC(NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019736233	0	46	-1.0	-49.21	372.69	7.15	-42.06
CCCC(NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019736233	1	46	-1.0	-49.22	372.75	7.16	-42.06
CCCC(NC(=O)C(COC)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300019736234	0	46	-1.0	-49.97	395.31	5.24	-44.73
CCCC(NC(=O)C(COC)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300019736234	1	46	-1.0	-49.97	395.37	5.26	-44.71
CCCC(NC(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=N[N-]N=N1	REAL300019736235	0	45	-1.0	-46.98	380.28	2.81	-44.17
CCCC(NC(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=NN=N[N-]1	REAL300019736235	1	45	-1.0	-47.01	380.34	2.82	-44.19
CCCC(NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=N[N-]N=N1	REAL300019736236	0	41	-1.0	-43.77	349.04	5.74	-38.03
CCCC(NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=NN=N[N-]1	REAL300019736236	1	41	-1.0	-43.71	349.10	5.76	-37.95
CCCC(NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=N[N-]N=N1	REAL300019736237	0	42	-1.0	-56.13	359.82	4.07	-52.06
CCCC(NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=NN=N[N-]1	REAL300019736237	1	42	-1.0	-56.10	359.88	4.08	-52.02
CCCC(NC(=O)CN1N=C(C)N(CC)C1=O)C1=N[N-]N=N1	REAL300019736238	0	41	-1.0	-56.17	348.85	3.49	-52.68
CCCC(NC(=O)CN1N=C(C)N(CC)C1=O)C1=NN=N[N-]1	REAL300019736238	1	41	-1.0	-56.12	348.91	3.50	-52.62
CCCC(NC(=O)C1C2CC1(C1=CC=C(Cl)C=C1)CC2)C1=N[N-]N=N1	REAL300019736239	0	46	-1.0	-46.04	375.84	7.53	-38.51
CCCC(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=NN=N[N-]1	REAL300019736239	1	46	-1.0	-47.12	376.72	7.62	-39.50
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300019736240	0	35	-1.0	-44.70	326.26	5.31	-39.39
CCCC(NC(=O)C1=CC(Br)=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300019736240	1	35	-1.0	-44.67	326.32	5.33	-39.34
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=N[N-]N=N1	REAL300019736241	0	34	-1.0	-52.86	321.99	-2.48	-55.34
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=NN=N[N-]1	REAL300019736241	1	34	-1.0	-52.86	322.05	-2.46	-55.32
CCCC(NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=N[N-]N=N1	REAL300019736242	0	37	-1.0	-52.34	321.17	1.05	-51.29
CCCC(NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=NN=N[N-]1	REAL300019736242	1	37	-1.0	-52.33	321.23	1.07	-51.26
CCCC(NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300019736243	0	46	-1.0	-54.80	385.28	5.28	-49.52
CCCC(NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300019736243	1	46	-1.0	-54.80	385.34	5.30	-49.50
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=N[N-]N=N1	REAL300019736244	0	44	-1.0	-58.83	379.55	6.71	-52.12
CCCC(NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=NN=N[N-]1	REAL300019736244	1	44	-1.0	-58.82	379.61	6.72	-52.10
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C1=N[N-]N=N1	REAL300019736245	0	52	-1.0	-45.81	405.93	0.91	-44.90
CCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C1=NN=N[N-]1	REAL300019736245	1	52	-1.0	-45.80	405.99	0.93	-44.87
CCCC(NC(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736246	0	55	-1.0	-54.33	440.54	3.37	-50.96
CCCC(NC(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736246	1	55	-1.0	-54.28	440.48	3.36	-50.92
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=N[N-]N=N1	REAL300019736247	0	59	-1.0	-50.58	452.99	5.41	-45.17
CCCC(NC(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=NN=N[N-]1	REAL300019736247	1	59	-1.0	-50.62	453.05	5.43	-45.19
CCCC(NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736248	0	55	-1.0	-45.91	425.86	4.93	-40.98
CCCC(NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736248	1	55	-1.0	-45.88	425.92	4.95	-40.93
CCCC(NC(=O)C1=CC=C(C(C)CC)NC1=O)C1=N[N-]N=N1	REAL300019736249	0	44	-1.0	-55.20	355.61	3.49	-51.71
CCCC(NC(=O)C1=CC=C(C(C)CC)NC1=O)C1=NN=N[N-]1	REAL300019736249	1	44	-1.0	-55.19	355.67	3.51	-51.68
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=N[N-]N=N1	REAL300019736250	0	54	-1.0	-48.90	420.73	7.84	-41.06
CCCC(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=NN=N[N-]1	REAL300019736250	1	54	-1.0	-48.91	420.78	7.86	-41.05
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300019736251	0	42	-1.0	-47.25	361.27	6.02	-41.23
CCCC(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300019736251	1	42	-1.0	-47.30	361.33	6.03	-41.27
CCCC(NC(=O)C1COC2=CC=C(Br)C=C2C1)C1=N[N-]N=N1	REAL300019736252	0	40	-1.0	-43.76	350.16	4.76	-39.00
CCCC(NC(=O)C1COC2=CC=C(Br)C=C2C1)C1=NN=N[N-]1	REAL300019736252	1	40	-1.0	-43.76	350.22	4.78	-38.98
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300019736253	0	45	-1.0	-49.36	365.96	6.19	-43.17
CCCC(NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300019736253	1	45	-1.0	-49.36	366.02	6.20	-43.16
CCCC(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=N[N-]N=N1	REAL300019736254	0	45	-1.0	-53.01	370.97	-0.09	-53.10
CCCC(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=NN=N[N-]1	REAL300019736254	1	45	-1.0	-52.97	371.03	-0.07	-53.04
CCCC(NC(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019736255	0	38	-1.0	-48.45	332.49	6.39	-42.06
CCCC(NC(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019736255	1	38	-1.0	-48.45	332.55	6.41	-42.04
CCCC(NC(=O)CC1CCC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019736256	0	42	-1.0	-44.15	361.63	6.70	-37.45
CCCC(NC(=O)CC1CCC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019736256	1	42	-1.0	-44.17	361.68	6.72	-37.45
CCCC(NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300019736257	0	41	-1.0	-46.00	350.13	5.33	-40.67
CCCC(NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019736257	1	41	-1.0	-46.00	350.08	5.31	-40.69
CCCC(NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=NN=N[N-]1	REAL300019736258	0	30	-1.0	-42.98	310.57	1.96	-41.02
CCCC(NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=N[N-]N=N1	REAL300019736258	1	30	-1.0	-42.96	310.51	1.95	-41.01
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CO2)C1=N[N-]N=N1	REAL300019736259	0	39	-1.0	-49.42	345.68	2.41	-47.01
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CO2)C1=NN=N[N-]1	REAL300019736259	1	39	-1.0	-49.42	345.74	2.43	-46.99
CCCC(NC(=O)C1=CC2=C(C)C=C(C(=O)OC)C=C2N1)C1=N[N-]N=N1	REAL300019736260	0	45	-1.0	-45.98	383.45	4.82	-41.16
CCCC(NC(=O)C1=CC2=C(C)C=C(C(=O)OC)C=C2N1)C1=NN=N[N-]1	REAL300019736260	1	45	-1.0	-45.98	383.51	4.84	-41.14
CCCC(NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=N[N-]N=N1	REAL300019736261	0	37	-1.0	-52.57	335.31	2.31	-50.26
CCCC(NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=NN=N[N-]1	REAL300019736261	1	37	-1.0	-52.54	335.36	2.32	-50.22
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=N[N-]N=N1	REAL300019736262	0	43	-1.0	-50.36	364.68	5.88	-44.48
CCCC(NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=NN=N[N-]1	REAL300019736262	1	43	-1.0	-50.39	364.74	5.89	-44.50
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1C)C1=N[N-]N=N1	REAL300019736263	0	41	-1.0	-50.23	339.19	4.82	-45.41
CCCC(NC(=O)C1=CC=CC(C(=O)OC)=C1C)C1=NN=N[N-]1	REAL300019736263	1	41	-1.0	-50.20	339.25	4.84	-45.36
CCCC(NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019736264	0	45	-1.0	-55.04	379.50	6.19	-48.85
CCCC(NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019736264	1	45	-1.0	-55.05	379.56	6.20	-48.85
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=N[N-]N=N1	REAL300019736265	0	39	-1.0	-47.21	339.27	6.05	-41.16
CCCC(NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=NN=N[N-]1	REAL300019736265	1	39	-1.0	-47.19	339.32	6.07	-41.12
CCCC(NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=N[N-]N=N1	REAL300019736266	0	39	-1.0	-58.00	330.08	4.57	-53.43
CCCC(NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=NN=N[N-]1	REAL300019736266	1	39	-1.0	-58.01	330.14	4.58	-53.43
CCCC(NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=N[N-]N=N1	REAL300019736267	0	38	-1.0	-45.35	337.40	4.16	-41.19
CCCC(NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=NN=N[N-]1	REAL300019736267	1	38	-1.0	-45.37	337.46	4.17	-41.20
CCCC(NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=N[N-]N=N1	REAL300019736268	0	37	-1.0	-50.39	319.63	1.24	-49.15
CCCC(NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=NN=N[N-]1	REAL300019736268	1	37	-1.0	-50.38	319.69	1.26	-49.12
CCCC(NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300019736269	0	35	-1.0	-51.34	320.51	4.17	-47.17
CCCC(NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300019736269	1	35	-1.0	-51.35	320.45	4.16	-47.19
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300019736270	0	58	-1.0	-48.13	445.08	5.45	-42.68
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300019736270	1	58	-1.0	-48.13	445.14	5.47	-42.66
CCCC(NC(=O)CCCCC1CSSC1)C1=N[N-]N=N1	REAL300019736271	0	43	-1.0	-47.76	366.76	6.78	-40.98
CCCC(NC(=O)CCCCC1CSSC1)C1=NN=N[N-]1	REAL300019736271	1	43	-1.0	-47.78	366.82	6.80	-40.98
CCCC(NC(=O)C1CCN(C(=O)NC)CC1)C1=N[N-]N=N1	REAL300019736272	0	44	-1.0	-54.33	349.57	1.61	-52.72
CCCC(NC(=O)C1CCN(C(=O)NC)CC1)C1=NN=N[N-]1	REAL300019736272	1	44	-1.0	-54.35	349.63	1.63	-52.72
CCCC(NC(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL300019736273	0	37	-1.0	-44.58	325.56	4.55	-40.03
CCCC(NC(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL300019736273	1	37	-1.0	-44.59	325.51	4.54	-40.05
CCCC(NC(=O)C1=CC(C)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019736274	0	40	-1.0	-57.35	334.79	5.11	-52.24
CCCC(NC(=O)C1=CC(C)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019736274	1	40	-1.0	-57.36	334.73	5.09	-52.27
CCCC(NC(=O)CC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300019736275	0	32	-1.0	-44.56	310.62	4.03	-40.53
CCCC(NC(=O)CC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300019736275	1	32	-1.0	-44.54	310.67	4.04	-40.50
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019736276	0	43	-1.0	-47.23	377.08	7.62	-39.61
CCCC(NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019736276	1	43	-1.0	-47.27	377.14	7.63	-39.64
CCCC(NC(=O)C1=CC=CC(C2(OC)COC2)=C1)C1=N[N-]N=N1	REAL300019736277	0	44	-1.0	-51.38	354.80	2.91	-48.47
CCCC(NC(=O)C1=CC=CC(C2(OC)COC2)=C1)C1=NN=N[N-]1	REAL300019736277	1	44	-1.0	-51.35	354.86	2.93	-48.42
CCCC(NC(=O)C1=C2C=CN(CCOC)C2=CC=C1)C1=N[N-]N=N1	REAL300019736278	0	46	-1.0	-52.52	381.35	5.31	-47.21
CCCC(NC(=O)C1=C2C=CN(CCOC)C2=CC=C1)C1=NN=N[N-]1	REAL300019736278	1	46	-1.0	-52.52	381.41	5.32	-47.20
CCCC(NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=NN=N[N-]1	REAL300019736279	0	45	-1.0	-53.39	365.82	6.74	-46.65
CCCC(NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=N[N-]N=N1	REAL300019736279	1	45	-1.0	-53.39	365.76	6.73	-46.66
CCCC(NC(=O)CC(CC)CC(F)(F)F)C1=N[N-]N=N1	REAL300019736280	0	40	-1.0	-47.32	324.18	4.14	-43.18
CCCC(NC(=O)CC(CC)CC(F)(F)F)C1=NN=N[N-]1	REAL300019736280	1	40	-1.0	-47.36	324.24	4.16	-43.20
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=NN=N[N-]1	REAL300019736281	0	38	-1.0	-42.74	345.60	4.91	-37.83
CCCC(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=N[N-]N=N1	REAL300019736281	1	38	-1.0	-42.75	345.55	4.90	-37.85
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=NN=N[N-]1	REAL300019736282	0	38	-1.0	-42.55	355.93	5.37	-37.18
CCCC(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=N[N-]N=N1	REAL300019736282	1	38	-1.0	-42.53	355.87	5.35	-37.18
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL300019736283	0	38	-1.0	-43.81	355.93	5.37	-38.44
CCCC(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL300019736283	1	38	-1.0	-43.82	355.87	5.35	-38.47
CCCC(NC(=O)CC1=CC=C(C(=O)C2=CC=C(C)C=C2)N1C)C1=N[N-]N=N1	REAL300019736284	0	51	-1.0	-53.39	419.43	7.46	-45.93
CCCC(NC(=O)CC1=CC=C(C(=O)C2=CC=C(C)C=C2)N1C)C1=NN=N[N-]1	REAL300019736284	1	51	-1.0	-53.36	419.49	7.47	-45.89
CCCC(NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL300019736285	0	39	-1.0	-43.33	336.44	4.30	-39.03
CCCC(NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL300019736285	1	39	-1.0	-43.33	336.50	4.32	-39.01
CCCC(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300019736286	0	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=NN=N[N-]1	REAL300019736286	1	51	-1.0	-50.32	419.56	2.35	-47.97
CCCC(NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736287	0	55	-1.0	-46.31	425.73	3.67	-42.64
CCCC(NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736287	1	55	-1.0	-46.26	425.79	3.69	-42.57
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=N[N-]N=N1	REAL300019736288	0	32	-1.0	-48.79	301.29	4.26	-44.53
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=NN=N[N-]1	REAL300019736288	1	32	-1.0	-48.75	301.35	4.28	-44.47
CCCC(NC(=O)C1=CC=C(CC(=O)OC)C=C1)C1=N[N-]N=N1	REAL300019736289	0	41	-1.0	-53.14	351.24	5.06	-48.08
CCCC(NC(=O)C1=CC=C(CC(=O)OC)C=C1)C1=NN=N[N-]1	REAL300019736289	1	41	-1.0	-53.11	351.30	5.08	-48.03
CCCC(NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736290	0	58	-1.0	-46.07	449.74	2.49	-43.58
CCCC(NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736290	1	58	-1.0	-46.08	449.80	2.50	-43.58
CCCC(NC(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736291	0	59	-1.0	-54.09	451.72	4.22	-49.87
CCCC(NC(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736291	1	59	-1.0	-54.07	451.78	4.24	-49.83
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=N[N-]N=N1	REAL300019736292	0	34	-1.0	-39.37	302.92	2.04	-37.33
CCCC(NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=NN=N[N-]1	REAL300019736292	1	34	-1.0	-39.36	302.98	2.06	-37.30
CCCC(NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736293	0	55	-1.0	-58.85	421.64	5.23	-53.62
CCCC(NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736293	1	55	-1.0	-58.81	421.69	5.24	-53.57
CCCC(NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736294	0	49	-1.0	-45.31	392.84	3.49	-41.82
CCCC(NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736294	1	49	-1.0	-45.34	392.89	3.50	-41.84
CCCC(NC(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736295	0	57	-1.0	-40.63	413.28	4.44	-36.19
CCCC(NC(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736295	1	57	-1.0	-40.63	413.33	4.47	-36.16
CCCC(NC(=O)C(CCOC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736296	0	58	-1.0	-43.90	452.31	2.65	-41.25
CCCC(NC(=O)C(CCOC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736296	1	58	-1.0	-43.91	452.37	2.67	-41.24
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=N[N-]N=N1	REAL300019736297	0	52	-1.0	-43.78	414.93	4.67	-39.11
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=NN=N[N-]1	REAL300019736297	1	52	-1.0	-43.76	414.99	4.68	-39.08
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019736298	0	48	-1.0	-45.94	401.79	-1.26	-47.20
CCCC(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019736298	1	48	-1.0	-45.93	401.85	-1.24	-47.17
CCCC(NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=N[N-]N=N1	REAL300019736299	0	40	-1.0	-47.68	342.03	4.65	-43.03
CCCC(NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=NN=N[N-]1	REAL300019736299	1	40	-1.0	-47.73	342.08	4.67	-43.06
CCCC(NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=N[N-]N=N1	REAL300019736300	0	42	-1.0	-54.05	355.50	2.15	-51.90
CCCC(NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=NN=N[N-]1	REAL300019736300	1	42	-1.0	-54.06	355.56	2.17	-51.89
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=N[N-]N=N1	REAL300019736301	0	33	-1.0	-44.83	310.19	2.26	-42.57
CCCC(NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=NN=N[N-]1	REAL300019736301	1	33	-1.0	-44.80	310.25	2.28	-42.52
CCCC(NC(=O)C1=NC2=CC(C(C)C)=CNC2=C1)C1=N[N-]N=N1	REAL300019736302	0	44	-1.0	-63.62	364.20	3.65	-59.97
CCCC(NC(=O)C1=NC2=CC(C(C)C)=CNC2=C1)C1=NN=N[N-]1	REAL300019736302	1	44	-1.0	-63.66	364.26	3.66	-60.00
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCO2)C1=N[N-]N=N1	REAL300019736303	0	38	-1.0	-47.58	342.62	3.45	-44.13
CCCC(NC(=O)CC1=CC2=C(C=C1Br)OCO2)C1=NN=N[N-]1	REAL300019736303	1	38	-1.0	-47.61	342.67	3.46	-44.15
CCCC(NC(=O)C1=C(Br)SC2=C1SN=N2)C1=NN=N[N-]1	REAL300019736304	0	30	-1.0	-42.47	314.99	2.06	-40.41
CCCC(NC(=O)C1=C(Br)SC2=C1SN=N2)C1=N[N-]N=N1	REAL300019736304	1	30	-1.0	-42.45	314.93	2.04	-40.41
CCCC(NC(=O)C1=NC2=CC(Br)=CNC2=N1)C1=N[N-]N=N1	REAL300019736305	0	34	-1.0	-63.93	320.24	2.25	-61.68
CCCC(NC(=O)C1=NC2=CC(Br)=CNC2=N1)C1=NN=N[N-]1	REAL300019736305	1	34	-1.0	-63.93	320.30	2.27	-61.66
CCCC(NC(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=N[N-]N=N1	REAL300019736306	0	56	-1.0	-53.70	442.76	2.53	-51.17
CCCC(NC(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=NN=N[N-]1	REAL300019736306	1	56	-1.0	-53.64	442.82	2.55	-51.09
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=N[N-]N=N1	REAL300019736307	0	59	-1.0	-55.57	447.22	5.91	-49.66
CCCC(NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=NN=N[N-]1	REAL300019736307	1	59	-1.0	-55.55	447.28	5.93	-49.62
CCCC(NC(=O)C(CCOCC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736308	0	55	-1.0	-43.90	432.04	1.91	-41.99
CCCC(NC(=O)C(CCOCC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736308	1	55	-1.0	-43.87	432.10	1.92	-41.95
C#CCC1(C(=O)NC(CCC)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019736309	0	54	-1.0	-57.57	425.56	5.57	-52.00
C#CCC1(C(=O)NC(CCC)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019736309	1	54	-1.0	-57.55	425.62	5.58	-51.97
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=N[N-]N=N1	REAL300019736310	0	54	-1.0	-52.00	422.56	5.56	-46.44
CCCC(NC(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=NN=N[N-]1	REAL300019736310	1	54	-1.0	-52.00	422.61	5.58	-46.42
CCCC(NC(=O)C1=CC(Br)=CC(OCC)=C1N)C1=N[N-]N=N1	REAL300019736311	0	41	-1.0	-42.86	356.41	2.79	-40.07
CCCC(NC(=O)C1=CC(Br)=CC(OCC)=C1N)C1=NN=N[N-]1	REAL300019736311	1	41	-1.0	-42.88	356.47	2.81	-40.07
CCCC(NC(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL300019736312	0	56	-1.0	-43.89	435.58	5.26	-38.63
CCCC(NC(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL300019736312	1	56	-1.0	-43.90	435.61	5.28	-38.62
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019736313	0	39	-1.0	-47.92	345.11	6.14	-41.78
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019736313	1	39	-1.0	-47.88	345.16	6.15	-41.73
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=N[N-]N=N1	REAL300019736314	0	52	-1.0	-46.51	420.73	2.01	-44.50
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=NN=N[N-]1	REAL300019736314	1	52	-1.0	-46.52	420.79	2.01	-44.51
C=CCN(CCC(=O)NC(CCC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019736315	0	52	-1.0	-45.49	416.55	5.13	-40.36
C=CCN(CCC(=O)NC(CCC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019736315	1	52	-1.0	-45.47	416.61	5.14	-40.33
CCCC(NC(=O)C(CC(C)C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736316	0	55	-1.0	-55.55	432.42	4.91	-50.64
CCCC(NC(=O)C(CC(C)C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736316	1	55	-1.0	-55.55	432.48	4.93	-50.62
CCCC(NC(=O)C1=C(C)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019736317	0	41	-1.0	-47.69	332.50	6.48	-41.21
CCCC(NC(=O)C1=C(C)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019736317	1	41	-1.0	-47.66	332.44	6.46	-41.20
CCCC(NC(=O)CCC1=CC=CC(OC)=N1)C1=N[N-]N=N1	REAL300019736318	0	41	-1.0	-47.33	346.72	1.85	-45.48
CCCC(NC(=O)CCC1=CC=CC(OC)=N1)C1=NN=N[N-]1	REAL300019736318	1	41	-1.0	-47.35	346.78	1.86	-45.49
CCCC(NC(=O)C1=NN(C)C2=C1COCC2)C1=N[N-]N=N1	REAL300019736319	0	40	-1.0	-51.41	331.49	1.38	-50.03
CCCC(NC(=O)C1=NN(C)C2=C1COCC2)C1=NN=N[N-]1	REAL300019736319	1	40	-1.0	-51.42	331.55	1.39	-50.03
CCCC(NC(=O)C1=CC2=C(C=CS2)N1C)C1=NN=N[N-]1	REAL300019736320	0	36	-1.0	-45.28	316.15	4.26	-41.02
CCCC(NC(=O)C1=CC2=C(C=CS2)N1C)C1=N[N-]N=N1	REAL300019736320	1	36	-1.0	-45.29	316.09	4.25	-41.04
CCCC(NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=N[N-]N=N1	REAL300019736321	0	38	-1.0	-46.46	329.25	2.95	-43.51
CCCC(NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=NN=N[N-]1	REAL300019736321	1	38	-1.0	-46.47	329.31	2.96	-43.51
CCCC(NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=N[N-]N=N1	REAL300019736322	0	42	-1.0	-46.96	342.94	4.07	-42.89
CCCC(NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=NN=N[N-]1	REAL300019736322	1	42	-1.0	-46.98	342.99	4.08	-42.90
CCCC(NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736323	0	53	-1.0	-52.15	421.37	1.22	-50.93
CCCC(NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736323	1	53	-1.0	-52.13	421.43	1.24	-50.89
CCCC(NC(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL300019736324	0	39	-1.0	-49.90	357.19	3.51	-46.39
CCCC(NC(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL300019736324	1	39	-1.0	-49.90	357.26	3.53	-46.37
CCCC(NC(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736325	0	52	-1.0	-43.54	411.75	1.11	-42.43
CCCC(NC(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736325	1	52	-1.0	-43.57	411.69	1.10	-42.47
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019736326	0	55	-1.0	-51.95	425.63	5.27	-46.68
CCCC(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019736326	1	55	-1.0	-51.95	425.69	5.29	-46.66
CCCC(NC(=O)C1(OC)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736327	0	50	-1.0	-44.95	402.12	1.58	-43.37
CCCC(NC(=O)C1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736327	1	50	-1.0	-45.00	402.18	1.60	-43.40
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=N[N-]N=N1	REAL300019736328	0	59	-1.0	-43.02	450.88	5.04	-37.98
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=NN=N[N-]1	REAL300019736328	1	59	-1.0	-43.03	450.94	5.05	-37.98
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=N[N-]N=N1	REAL300019736329	0	58	-1.0	-44.06	442.34	4.29	-39.77
CCCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=NN=N[N-]1	REAL300019736329	1	58	-1.0	-44.07	442.40	4.30	-39.77
CCCC(NC(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736330	0	59	-1.0	-52.53	449.92	4.48	-48.05
CCCC(NC(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736330	1	59	-1.0	-52.49	449.98	4.50	-47.99
CCCC(NC(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736331	0	56	-1.0	-54.30	431.71	1.91	-52.39
CCCC(NC(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736331	1	56	-1.0	-54.32	431.77	1.92	-52.40
CCCC(NC(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019736332	0	58	-1.0	-50.46	436.51	4.22	-46.24
CCCC(NC(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019736332	1	58	-1.0	-50.43	436.57	4.23	-46.20
CCCC(NC(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=N[N-]N=N1	REAL300019736333	0	48	-1.0	-49.97	406.09	2.68	-47.29
CCCC(NC(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=NN=N[N-]1	REAL300019736333	1	48	-1.0	-49.96	406.15	2.69	-47.27
CCCC(NC(=O)C1=C(Br)N(C)N=C1OC)C1=NN=N[N-]1	REAL300019736334	0	36	-1.0	-50.17	334.45	-0.28	-50.45
CCCC(NC(=O)C1=C(Br)N(C)N=C1OC)C1=N[N-]N=N1	REAL300019736334	1	36	-1.0	-50.20	334.39	-0.29	-50.49
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=N[N-]N=N1	REAL300019736335	0	39	-1.0	-54.68	335.10	2.59	-52.09
CCCC(NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=NN=N[N-]1	REAL300019736335	1	39	-1.0	-54.65	335.16	2.61	-52.04
CCCC(NC(=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1)C1=N[N-]N=N1	REAL300019736336	0	56	-1.0	-48.73	440.95	1.81	-46.92
CCCC(NC(=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1)C1=NN=N[N-]1	REAL300019736336	1	56	-1.0	-48.76	441.01	1.83	-46.93
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=N[N-]N=N1	REAL300019736337	0	35	-1.0	-47.71	320.49	3.50	-44.21
CCCC(NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=NN=N[N-]1	REAL300019736337	1	35	-1.0	-47.75	320.55	3.52	-44.23
CCCC(NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=N[N-]N=N1	REAL300019736338	0	45	-1.0	-72.53	374.92	2.81	-69.72
CCCC(NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=NN=N[N-]1	REAL300019736338	1	45	-1.0	-72.53	374.98	2.83	-69.70
CCCC(NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=N[N-]N=N1	REAL300019736339	0	38	-1.0	-47.14	348.14	5.58	-41.56
CCCC(NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=NN=N[N-]1	REAL300019736339	1	38	-1.0	-47.16	348.19	5.60	-41.56
CCCC(NC(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=N[N-]N=N1	REAL300019736340	0	35	-1.0	-46.76	341.52	6.07	-40.69
CCCC(NC(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=NN=N[N-]1	REAL300019736340	1	35	-1.0	-46.73	341.58	6.08	-40.65
CCCC(NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300019736341	0	44	-1.0	-50.50	347.48	0.33	-50.17
CCCC(NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300019736341	1	44	-1.0	-50.49	347.54	0.34	-50.15
CCCC(NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300019736342	0	39	-1.0	-47.72	338.58	5.85	-41.87
CCCC(NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300019736342	1	39	-1.0	-47.76	338.64	5.87	-41.89
CCCC(NC(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=N[N-]N=N1	REAL300019736343	0	48	-1.0	-55.62	387.89	6.73	-48.89
CCCC(NC(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=NN=N[N-]1	REAL300019736343	1	48	-1.0	-55.59	387.95	6.73	-48.86
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=N[N-]N=N1	REAL300019736344	0	46	-1.0	-54.82	377.12	5.44	-49.38
CCCC(NC(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=NN=N[N-]1	REAL300019736344	1	46	-1.0	-54.79	377.18	5.46	-49.33
CCCC(NC(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=N[N-]N=N1	REAL300019736345	0	40	-1.0	-56.40	340.06	4.49	-51.91
CCCC(NC(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=NN=N[N-]1	REAL300019736345	1	40	-1.0	-56.36	340.12	4.50	-51.86
CCCC(NC(=O)C1=CC=NC2=CC(OC)=CC=C21)C1=NN=N[N-]1	REAL300019736346	0	41	-1.0	-46.99	339.87	3.32	-43.67
CCCC(NC(=O)C1=CC=NC2=CC(OC)=CC=C21)C1=N[N-]N=N1	REAL300019736346	1	41	-1.0	-47.03	339.81	3.30	-43.73
CCCC(NC(=O)C1CCC(SCC)CC1)C1=N[N-]N=N1	REAL300019736347	0	45	-1.0	-44.91	363.06	5.80	-39.11
CCCC(NC(=O)C1CCC(SCC)CC1)C1=NN=N[N-]1	REAL300019736347	1	45	-1.0	-44.95	363.12	5.81	-39.14
CCCC(NC(=O)CCC1=CC(C)=NC(C)=C1)C1=N[N-]N=N1	REAL300019736348	0	43	-1.0	-45.69	358.42	4.56	-41.13
CCCC(NC(=O)CCC1=CC(C)=NC(C)=C1)C1=NN=N[N-]1	REAL300019736348	1	43	-1.0	-45.67	358.48	4.57	-41.10
CCCC(NC(=O)C1=CC2=CC=C(C)C=C2C=C1)C1=NN=N[N-]1	REAL300019736349	0	41	-1.0	-48.04	341.77	6.56	-41.48
CCCC(NC(=O)C1=CC2=CC=C(C)C=C2C=C1)C1=N[N-]N=N1	REAL300019736349	1	41	-1.0	-48.07	341.71	6.55	-41.52
CCCC(NC(=O)C1=CSC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019736350	0	29	-1.0	-46.98	295.62	3.66	-43.32
CCCC(NC(=O)C1=CSC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300019736350	1	29	-1.0	-46.93	295.68	3.67	-43.26
CCCC(NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=N[N-]N=N1	REAL300019736351	0	44	-1.0	-55.00	367.62	3.09	-51.91
CCCC(NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=NN=N[N-]1	REAL300019736351	1	44	-1.0	-54.96	367.68	3.11	-51.85
CCCC(NC(=O)C1=CN(C2CCC2)N=C1C)C1=N[N-]N=N1	REAL300019736352	0	42	-1.0	-48.40	342.74	3.95	-44.45
CCCC(NC(=O)C1=CN(C2CCC2)N=C1C)C1=NN=N[N-]1	REAL300019736352	1	42	-1.0	-48.41	342.80	3.97	-44.44
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=NN=N[N-]1	REAL300019736353	0	39	-1.0	-47.37	341.73	4.85	-42.52
CCCC(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=N[N-]N=N1	REAL300019736353	1	39	-1.0	-47.32	341.68	4.83	-42.49
CCCC(NC(=O)C1=CNC=C1Br)C1=N[N-]N=N1	REAL300019736354	0	30	-1.0	-52.77	281.02	2.11	-50.66
CCCC(NC(=O)C1=CNC=C1Br)C1=NN=N[N-]1	REAL300019736354	1	30	-1.0	-52.79	281.08	2.13	-50.66
CCCC(NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019736355	0	42	-1.0	-56.01	372.13	3.25	-52.76
CCCC(NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019736355	1	42	-1.0	-56.01	372.19	3.27	-52.74
CCCC(NC(=O)C1CC(OC(F)(F)F)C1)C1=N[N-]N=N1	REAL300019736356	0	36	-1.0	-47.60	317.90	2.15	-45.45
CCCC(NC(=O)C1CC(OC(F)(F)F)C1)C1=NN=N[N-]1	REAL300019736356	1	36	-1.0	-47.57	317.95	2.16	-45.41
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=N[N-]N=N1	REAL300019736357	0	35	-1.0	-54.74	321.57	-0.91	-55.65
CCCC(NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=NN=N[N-]1	REAL300019736357	1	35	-1.0	-54.69	321.63	-0.89	-55.58
CCCC(NC(=O)CC1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL300019736358	0	43	-1.0	-48.40	352.63	4.38	-44.02
CCCC(NC(=O)CC1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL300019736358	1	43	-1.0	-48.38	352.69	4.40	-43.98
CCCC(NC(=O)CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300019736359	0	43	-1.0	-48.92	352.63	4.38	-44.54
CCCC(NC(=O)CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300019736359	1	43	-1.0	-48.89	352.69	4.40	-44.49
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=NN=N[N-]1	REAL300019736360	0	41	-1.0	-44.73	350.14	5.33	-39.40
CCCC(NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=N[N-]N=N1	REAL300019736360	1	41	-1.0	-44.76	350.08	5.31	-39.45
CCCC(NC(=O)C1=CC=C(Br)C(C)=N1)C1=N[N-]N=N1	REAL300019736361	0	34	-1.0	-43.40	311.24	3.02	-40.38
CCCC(NC(=O)C1=CC=C(Br)C(C)=N1)C1=NN=N[N-]1	REAL300019736361	1	34	-1.0	-43.43	311.30	3.04	-40.39
CCCC(NC(=O)C1=NC=C(Br)C=C1OC)C1=NN=N[N-]1	REAL300019736362	0	35	-1.0	-47.53	320.39	3.07	-44.46
CCCC(NC(=O)C1=NC=C(Br)C=C1OC)C1=N[N-]N=N1	REAL300019736362	1	35	-1.0	-47.54	320.33	3.06	-44.48
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=N[N-]N=N1	REAL300019736363	0	41	-1.0	-56.75	357.51	1.27	-55.48
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=NN=N[N-]1	REAL300019736363	1	41	-1.0	-56.74	357.56	1.29	-55.45
CCCC(NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300019736364	0	39	-1.0	-52.82	338.73	4.92	-47.90
CCCC(NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300019736364	1	39	-1.0	-52.86	338.78	4.94	-47.92
CCCC(NC(=O)C1=CN(C2=CC=C(CC)C=C2)N=N1)C1=NN=N[N-]1	REAL300019736365	0	44	-1.0	-45.78	374.53	4.77	-41.01
CCCC(NC(=O)C1=CN(C2=CC=C(CC)C=C2)N=N1)C1=N[N-]N=N1	REAL300019736365	1	44	-1.0	-45.79	374.47	4.75	-41.04
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL300019736366	0	47	-1.0	-49.91	404.90	3.04	-46.87
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL300019736366	1	47	-1.0	-49.90	404.95	3.06	-46.84
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=N[N-]N=N2)=C1	REAL300019736367	0	47	-1.0	-52.73	403.13	3.02	-49.71
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC(CCC)C2=NN=N[N-]2)=C1	REAL300019736367	1	47	-1.0	-52.75	403.19	3.04	-49.71
CCCC(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019736368	0	37	-2.0	-88.17	338.32	2.26	-85.91
CCCC(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019736368	1	37	-2.0	-88.13	338.38	2.28	-85.85
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=NN=N[N-]1	REAL300019736369	0	42	-1.0	-47.46	376.42	5.30	-42.16
CCCC(NC(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=N[N-]N=N1	REAL300019736369	1	42	-1.0	-47.49	376.36	5.28	-42.21
CCCC(NC(=O)CC1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL300019736370	0	41	-1.0	-50.50	329.88	4.70	-45.80
CCCC(NC(=O)CC1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL300019736370	1	41	-1.0	-50.47	329.93	4.71	-45.76
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=N[N-]N=N1	REAL300019736371	0	53	-1.0	-48.82	413.69	8.72	-40.10
CCCC(NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=NN=N[N-]1	REAL300019736371	1	53	-1.0	-48.80	413.75	8.75	-40.05
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2N=C1CC)C1=N[N-]N=N1	REAL300019736372	0	43	-1.0	-45.90	356.77	5.45	-40.45
CCCC(NC(=O)C1=CC2=CC=C(F)C=C2N=C1CC)C1=NN=N[N-]1	REAL300019736372	1	43	-1.0	-45.92	356.83	5.45	-40.47
CCCC(NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=N[N-]N=N1	REAL300019736373	0	40	-1.0	-52.28	348.05	3.71	-48.57
CCCC(NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=NN=N[N-]1	REAL300019736373	1	40	-1.0	-52.24	348.10	3.73	-48.51
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=N[N-]N=N1	REAL300019736374	0	47	-1.0	-54.95	372.62	6.03	-48.92
CCCC(NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=NN=N[N-]1	REAL300019736374	1	47	-1.0	-54.96	372.68	6.05	-48.91
CCCC(NC(=O)C1=CC2=CN=CC(Br)=C2S1)C1=NN=N[N-]1	REAL300019736375	0	34	-1.0	-43.12	329.16	3.89	-39.23
CCCC(NC(=O)C1=CC2=CN=CC(Br)=C2S1)C1=N[N-]N=N1	REAL300019736375	1	34	-1.0	-43.11	329.10	3.87	-39.24
CCCC(NC(=O)C1CCC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL300019736376	0	43	-1.0	-46.24	344.55	3.30	-42.94
CCCC(NC(=O)C1CCC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL300019736376	1	43	-1.0	-46.24	344.60	3.31	-42.93
CCCC(NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019736377	0	48	-1.0	-48.03	382.93	3.13	-44.90
CCCC(NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019736377	1	48	-1.0	-48.05	382.99	3.14	-44.91
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300019736378	0	45	-1.0	-49.04	371.34	4.80	-44.24
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300019736378	1	45	-1.0	-49.03	371.39	4.82	-44.21
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=N[N-]N=N1	REAL300019736379	0	39	-1.0	-47.61	347.63	6.12	-41.49
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=NN=N[N-]1	REAL300019736379	1	39	-1.0	-47.59	347.69	6.14	-41.45
CCCC(NC(=O)C1=CC(Cl)=NC=C1C#N)C1=NN=N[N-]1	REAL300019736380	0	32	-1.0	-46.98	303.94	2.55	-44.43
CCCC(NC(=O)C1=CC(Cl)=NC=C1C#N)C1=N[N-]N=N1	REAL300019736380	1	32	-1.0	-46.96	303.89	2.53	-44.43
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=N[N-]N=N1	REAL300019736381	0	37	-1.0	-65.31	310.88	2.59	-62.72
CCCC(NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=NN=N[N-]1	REAL300019736381	1	37	-1.0	-65.30	310.94	2.60	-62.70
CCCC(NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL300019736382	0	42	-1.0	-48.65	353.13	3.16	-45.49
CCCC(NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL300019736382	1	42	-1.0	-48.66	353.19	3.18	-45.48
CCCC(NC(=O)C1=CC=C(CC)C(Cl)=C1)C1=N[N-]N=N1	REAL300019736383	0	38	-1.0	-44.19	329.73	5.41	-38.78
CCCC(NC(=O)C1=CC=C(CC)C(Cl)=C1)C1=NN=N[N-]1	REAL300019736383	1	38	-1.0	-44.17	329.78	5.43	-38.74
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=NN=N[N-]1	REAL300019736384	0	46	-1.0	-44.52	371.32	2.77	-41.75
CCCC(NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=N[N-]N=N1	REAL300019736384	1	46	-1.0	-44.52	371.26	2.75	-41.77
CCCC(NC(=O)C1=NSC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019736385	0	34	-1.0	-43.39	326.35	4.25	-39.14
CCCC(NC(=O)C1=NSC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019736385	1	34	-1.0	-43.36	326.29	4.23	-39.13
CCCC(NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=N[N-]N=N1	REAL300019736386	0	35	-1.0	-45.82	322.83	4.58	-41.24
CCCC(NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=NN=N[N-]1	REAL300019736386	1	35	-1.0	-45.82	322.89	4.60	-41.22
CCCC(NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=NN=N[N-]1	REAL300019736387	0	34	-1.0	-50.80	321.61	3.68	-47.12
CCCC(NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=N[N-]N=N1	REAL300019736387	1	34	-1.0	-50.78	321.55	3.66	-47.12
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300019736388	0	39	-1.0	-45.41	346.62	5.51	-39.90
CCCC(NC(=O)CCC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300019736388	1	39	-1.0	-45.41	346.68	5.52	-39.89
CCCC(NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=N[N-]N=N1	REAL300019736389	0	38	-1.0	-49.77	329.54	0.93	-48.84
CCCC(NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=NN=N[N-]1	REAL300019736389	1	38	-1.0	-49.72	329.60	0.95	-48.77
CCCC(NC(=O)C1=CN=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019736390	0	41	-1.0	-45.61	332.28	4.29	-41.32
CCCC(NC(=O)C1=CN=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019736390	1	41	-1.0	-45.59	332.34	4.31	-41.28
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C1=N[N-]N=N1	REAL300019736391	0	40	-1.0	-44.47	336.48	5.67	-38.80
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C1=NN=N[N-]1	REAL300019736391	1	40	-1.0	-44.47	336.54	5.68	-38.79
CCCC(NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019736392	0	42	-1.0	-42.99	347.62	6.25	-36.74
CCCC(NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019736392	1	42	-1.0	-42.98	347.68	6.28	-36.70
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2CCOC)C1=N[N-]N=N1	REAL300019736393	0	46	-1.0	-50.70	383.54	5.34	-45.36
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2CCOC)C1=NN=N[N-]1	REAL300019736393	1	46	-1.0	-50.66	383.60	5.36	-45.30
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=N[N-]N=N1	REAL300019736394	0	45	-1.0	-50.81	367.90	6.75	-44.06
CCCC(NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=NN=N[N-]1	REAL300019736394	1	45	-1.0	-50.82	367.96	6.76	-44.06
CCCC(NC(=O)C=CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019736395	0	39	-1.0	-48.12	334.87	3.48	-44.64
CCCC(NC(=O)C=CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019736395	1	39	-1.0	-48.14	334.93	3.50	-44.64
CCCC(NC(=O)C1=CC2=C(Br)C=NC=C2C=C1)C1=NN=N[N-]1	REAL300019736396	0	37	-1.0	-49.64	334.05	4.66	-44.98
CCCC(NC(=O)C1=CC2=C(Br)C=NC=C2C=C1)C1=N[N-]N=N1	REAL300019736396	1	37	-1.0	-49.57	333.99	4.64	-44.93
C=CCOCC(C(=O)NC(CCC)C1=N[N-]N=N1)C(C)(C)C	REAL300019736397	0	48	-1.0	-42.75	369.20	4.86	-37.89
C=CCOCC(C(=O)NC(CCC)C1=NN=N[N-]1)C(C)(C)C	REAL300019736397	1	48	-1.0	-42.74	369.26	4.88	-37.86
CCCC(NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300019736398	0	44	-1.0	-49.94	359.10	-0.11	-50.05
CCCC(NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300019736398	1	44	-1.0	-49.96	359.16	-0.10	-50.06
CCCC(NC(=O)C1=CC(C)=NN1C1CCC1)C1=N[N-]N=N1	REAL300019736399	0	42	-1.0	-44.24	343.99	4.16	-40.08
CCCC(NC(=O)C1=CC(C)=NN1C1CCC1)C1=NN=N[N-]1	REAL300019736399	1	42	-1.0	-44.23	344.05	4.17	-40.06
CCCC(NC(=O)C1=CC=NN1CCC(F)(F)F)C1=NN=N[N-]1	REAL300019736400	0	38	-1.0	-42.99	336.01	3.37	-39.62
CCCC(NC(=O)C1=CC=NN1CCC(F)(F)F)C1=N[N-]N=N1	REAL300019736400	1	38	-1.0	-42.96	335.95	3.35	-39.61
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1OC)C1=N[N-]N=N1	REAL300019736401	0	43	-1.0	-48.83	370.75	5.56	-43.27
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1OC)C1=NN=N[N-]1	REAL300019736401	1	43	-1.0	-48.82	370.81	5.57	-43.25
CCCC(NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=N[N-]N=N1	REAL300019736402	0	38	-1.0	-41.63	348.53	2.63	-39.00
CCCC(NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=NN=N[N-]1	REAL300019736402	1	38	-1.0	-41.66	348.59	2.64	-39.02
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300019736403	0	36	-1.0	-47.43	331.06	5.36	-42.07
CCCC(NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300019736403	1	36	-1.0	-47.42	331.12	5.38	-42.04
CCCC(NC(=O)C(COC(C)C)NC(C)=O)C1=N[N-]N=N1	REAL300019736404	0	45	-1.0	-55.94	366.74	1.62	-54.32
CCCC(NC(=O)C(COC(C)C)NC(C)=O)C1=NN=N[N-]1	REAL300019736404	1	45	-1.0	-55.94	366.80	1.64	-54.30
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL300019736405	0	49	-1.0	-46.54	403.10	6.62	-39.92
CCCCOC1=CC=C(C=CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL300019736405	1	49	-1.0	-46.57	403.16	6.65	-39.92
CCCC(NC(=O)CC1=CC2=CC=C(OC)C=C2C=C1)C1=N[N-]N=N1	REAL300019736406	0	45	-1.0	-49.03	374.38	5.85	-43.18
CCCC(NC(=O)CC1=CC2=CC=C(OC)C=C2C=C1)C1=NN=N[N-]1	REAL300019736406	1	45	-1.0	-49.01	374.44	5.86	-43.15
CCCC(NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=N[N-]N=N1	REAL300019736407	0	50	-1.0	-46.02	389.58	7.61	-38.41
CCCC(NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=NN=N[N-]1	REAL300019736407	1	50	-1.0	-46.02	389.64	7.63	-38.39
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300019736408	0	32	-1.0	-40.51	306.97	4.34	-36.17
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300019736408	1	32	-1.0	-40.50	307.02	4.35	-36.15
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL300019736409	0	38	-1.0	-50.18	336.40	4.28	-45.90
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL300019736409	1	38	-1.0	-50.19	336.45	4.30	-45.89
CCCC(NC(=O)C1=NC=C(F)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019736410	0	37	-1.0	-44.36	318.21	4.23	-40.13
CCCC(NC(=O)C1=NC=C(F)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019736410	1	37	-1.0	-44.34	318.16	4.21	-40.13
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)N=C1)C1=N[N-]N=N1	REAL300019736411	0	41	-1.0	-47.86	359.44	3.66	-44.20
CCCC(NC(=O)C=CC1=CC=C(C(=O)OC)N=C1)C1=NN=N[N-]1	REAL300019736411	1	41	-1.0	-47.84	359.50	3.67	-44.17
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL300019736412	0	41	-1.0	-45.38	354.74	5.80	-39.58
CCCC(NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL300019736412	1	41	-1.0	-45.38	354.80	5.82	-39.56
CCCC(NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019736413	0	41	-1.0	-45.04	346.46	5.66	-39.38
CCCC(NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019736413	1	41	-1.0	-45.05	346.52	5.67	-39.38
CCCC(NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019736414	0	44	-1.0	-48.75	361.74	4.12	-44.63
CCCC(NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019736414	1	44	-1.0	-48.75	361.68	4.10	-44.65
CCCC(NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=N[N-]N=N1	REAL300019736415	0	39	-1.0	-54.91	337.71	3.74	-51.17
CCCC(NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=NN=N[N-]1	REAL300019736415	1	39	-1.0	-54.92	337.77	3.76	-51.16
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL300019736416	0	32	-2.0	-101.95	302.12	3.73	-98.22
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL300019736416	1	32	-2.0	-101.95	302.18	3.74	-98.21
CCCC(NC(=O)C1=C(CC)N=C(C2=NNC=N2)S1)C1=N[N-]N=N1	REAL300019736417	0	40	-1.0	-50.62	356.65	2.96	-47.66
CCCC(NC(=O)C1=C(CC)N=C(C2=NNC=N2)S1)C1=NN=N[N-]1	REAL300019736417	1	40	-1.0	-50.67	356.71	2.98	-47.69
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019736418	0	41	-1.0	-47.62	370.37	4.12	-43.50
CCCC(NC(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300019736418	1	41	-1.0	-47.65	370.31	4.10	-43.55
CCCC(NC(=O)C1=C2N=CNC2=CC(Br)=C1)C1=N[N-]N=N1	REAL300019736419	0	35	-1.0	-55.61	320.74	4.05	-51.56
CCCC(NC(=O)C1=C2N=CNC2=CC(Br)=C1)C1=NN=N[N-]1	REAL300019736419	1	35	-1.0	-55.63	320.80	4.07	-51.56
CCCC(NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=N[N-]N=N1	REAL300019736420	0	42	-1.0	-54.16	351.91	4.67	-49.49
CCCC(NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=NN=N[N-]1	REAL300019736420	1	42	-1.0	-54.17	351.97	4.68	-49.49
CCCC(NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=N[N-]N=N1	REAL300019736421	0	44	-1.0	-48.14	372.21	2.03	-46.11
CCCC(NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=NN=N[N-]1	REAL300019736421	1	44	-1.0	-48.07	372.26	2.04	-46.03
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019736422	0	45	-1.0	-53.94	385.90	6.25	-47.69
CCCC(NC(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019736422	1	45	-1.0	-53.96	385.96	6.26	-47.70
CCCC(NC(=O)C1=C2CCN(C(=O)OC(C)(C)C)CC2=NN1)C1=N[N-]N=N1	REAL300019736423	0	53	-1.0	-46.07	420.14	3.24	-42.83
CCCC(NC(=O)C1=C2CCN(C(=O)OC(C)(C)C)CC2=NN1)C1=NN=N[N-]1	REAL300019736423	1	53	-1.0	-46.07	420.20	3.25	-42.82
CCCC(NC(=O)C1CCC2=C(C1)C(C)=NN2)C1=N[N-]N=N1	REAL300019736424	0	42	-1.0	-47.89	339.36	2.96	-44.93
CCCC(NC(=O)C1CCC2=C(C1)C(C)=NN2)C1=NN=N[N-]1	REAL300019736424	1	42	-1.0	-47.90	339.42	2.98	-44.92
CCCC(NC(=O)C1CCC2=NNC(C)=C2C1)C1=N[N-]N=N1	REAL300019736424	1	42	-1.0	-46.95	338.52	2.96	-43.99
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019736425	0	50	-1.0	-51.15	421.49	6.76	-44.39
CCCC(NC(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019736425	1	50	-1.0	-51.17	421.43	6.75	-44.42
CCCC(NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300019736426	0	43	-1.0	-48.29	358.75	3.48	-44.81
CCCC(NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300019736426	1	43	-1.0	-48.26	358.81	3.50	-44.76
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=N[N-]N=N1	REAL300019736427	0	38	-1.0	-43.81	338.04	5.17	-38.64
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=NN=N[N-]1	REAL300019736427	1	38	-1.0	-43.80	338.10	5.18	-38.62
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=N[N-]N=N1	REAL300019736428	0	34	-1.0	-52.25	314.97	-3.48	-55.73
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=NN=N[N-]1	REAL300019736428	1	34	-1.0	-52.27	315.03	-3.46	-55.73
CCCC(NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=NN=N[N-]1	REAL300019736429	0	36	-1.0	-51.89	322.77	3.78	-48.11
CCCC(NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=N[N-]N=N1	REAL300019736429	1	36	-1.0	-51.83	322.72	3.77	-48.06
CCCC(NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=N[N-]N=N1	REAL300019736430	0	42	-1.0	-44.99	360.13	4.71	-40.28
CCCC(NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=NN=N[N-]1	REAL300019736430	1	42	-1.0	-44.97	360.18	4.73	-40.24
CCCC(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736431	0	46	-1.0	-54.26	377.52	2.55	-51.71
CCCC(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736431	1	46	-1.0	-54.29	377.58	2.57	-51.72
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL300019736432	0	36	-1.0	-44.49	329.56	3.05	-41.44
CCCC(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL300019736432	1	36	-1.0	-44.50	329.61	3.07	-41.43
CCCC(NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=N[N-]N=N1	REAL300019736433	0	43	-1.0	-44.56	351.00	1.63	-42.93
CCCC(NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=NN=N[N-]1	REAL300019736433	1	43	-1.0	-44.55	351.06	1.65	-42.90
CCCC(NC(=O)CCC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300019736434	0	35	-1.0	-43.77	330.00	4.73	-39.04
CCCC(NC(=O)CCC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300019736434	1	35	-1.0	-43.73	330.06	4.75	-38.98
CCCC(NC(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=N[N-]N=N1	REAL300019736435	0	38	-1.0	-54.75	342.26	4.42	-50.33
CCCC(NC(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=NN=N[N-]1	REAL300019736435	1	38	-1.0	-54.77	342.32	4.44	-50.33
CCCC(NC(=O)CC1=C(Br)C=C2NC=NC2=C1)C1=N[N-]N=N1	REAL300019736435	1	38	-1.0	-51.73	342.11	4.41	-47.32
CCCC(NC(=O)CC1=C(Br)C=C2NC=NC2=C1)C1=NN=N[N-]1	REAL300019736435	1	38	-1.0	-51.72	342.17	4.43	-47.29
CCCC(NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736436	0	53	-1.0	-51.68	409.68	6.53	-45.15
CCCC(NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736436	1	53	-1.0	-51.71	409.73	6.54	-45.17
CCCC(NC(=O)C1CCCC(F)(F)CC1)C1=N[N-]N=N1	REAL300019736437	0	41	-1.0	-46.89	319.71	4.44	-42.45
CCCC(NC(=O)C1CCCC(F)(F)CC1)C1=NN=N[N-]1	REAL300019736437	1	41	-1.0	-46.90	319.77	4.46	-42.44
CCCC(NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300019736438	0	40	-1.0	-54.92	346.89	5.08	-49.84
CCCC(NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300019736438	1	40	-1.0	-54.93	346.95	5.09	-49.84
CCCC(NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300019736439	0	39	-1.0	-47.85	335.77	5.85	-42.00
CCCC(NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300019736439	1	39	-1.0	-47.83	335.83	5.86	-41.97
CCCC(NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019736440	0	51	-1.0	-56.46	418.59	5.70	-50.76
CCCC(NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019736440	1	51	-1.0	-56.45	418.65	5.71	-50.74
CCCC(NC(=O)C1=C2C=NSC2=CC=C1)C1=NN=N[N-]1	REAL300019736441	0	34	-1.0	-48.77	302.00	3.68	-45.09
CCCC(NC(=O)C1=C2C=NSC2=CC=C1)C1=N[N-]N=N1	REAL300019736441	1	34	-1.0	-48.76	301.94	3.67	-45.09
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=N[N-]N=N1	REAL300019736442	0	38	-1.0	-54.77	347.47	1.67	-53.10
CCCC(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=NN=N[N-]1	REAL300019736442	1	38	-1.0	-54.75	347.52	1.68	-53.07
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL300019736443	0	34	-1.0	-39.15	316.60	2.57	-36.58
CCCC(NC(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL300019736443	1	34	-1.0	-39.15	316.66	2.58	-36.57
CCCC(NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019736444	0	48	-1.0	-45.58	401.44	1.51	-44.07
CCCC(NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019736444	1	48	-1.0	-45.58	401.49	1.52	-44.06
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=N[N-]N=N1	REAL300019736445	0	37	-1.0	-43.47	331.64	3.87	-39.60
CCCC(NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=NN=N[N-]1	REAL300019736445	1	37	-1.0	-43.45	331.69	3.88	-39.57
CCCC(NC(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019736446	0	54	-1.0	-53.00	428.63	1.69	-51.31
CCCC(NC(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019736446	1	54	-1.0	-52.99	428.69	1.70	-51.29
CCCC(NC(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1)C1=N[N-]N=N1	REAL300019736447	0	46	-1.0	-49.24	372.66	6.29	-42.95
CCCC(NC(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1)C1=NN=N[N-]1	REAL300019736447	1	46	-1.0	-49.22	372.72	6.30	-42.92
CCCC(NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736448	0	53	-1.0	-52.35	421.12	3.38	-48.97
CCCC(NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736448	1	53	-1.0	-52.33	421.18	3.39	-48.94
C#CC1=CC=C(C2CC2C(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL300019736449	0	41	-1.0	-51.12	346.10	6.77	-44.35
C#CC1=CC=C(C2CC2C(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL300019736449	1	41	-1.0	-51.11	346.16	6.78	-44.33
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300019736450	0	44	-1.0	-46.65	365.97	4.72	-41.93
CCCC(NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300019736450	1	44	-1.0	-46.70	366.03	4.73	-41.97
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1OC)C1=N[N-]N=N1	REAL300019736451	0	48	-1.0	-51.17	402.76	4.10	-47.07
CCCC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1OC)C1=NN=N[N-]1	REAL300019736451	1	48	-1.0	-51.14	402.82	4.12	-47.02
CCCC(NC(=O)C1=C2C(=O)NCCN2N=C1)C1=NN=N[N-]1	REAL300019736452	0	37	-1.0	-59.17	313.40	0.36	-58.81
CCCC(NC(=O)C1=C2C(=O)NCCN2N=C1)C1=N[N-]N=N1	REAL300019736452	1	37	-1.0	-59.13	313.34	0.36	-58.77
CC=CC1=CC=C(OCC(=O)NC(CCC)C2=N[N-]N=N2)C(OC)=C1	REAL300019736453	0	47	-1.0	-53.45	389.85	5.92	-47.53
CC=CC1=CC=C(OCC(=O)NC(CCC)C2=NN=N[N-]2)C(OC)=C1	REAL300019736453	1	47	-1.0	-53.49	389.91	5.93	-47.56
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019736454	0	56	-1.0	-49.38	434.88	3.43	-45.95
CCCC(NC(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019736454	1	56	-1.0	-49.37	434.93	3.45	-45.92
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	REAL300019736455	0	56	-1.0	-57.63	419.42	4.89	-52.74
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	REAL300019736455	1	56	-1.0	-57.62	419.48	4.90	-52.72
CCCC(NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=N[N-]N=N1	REAL300019736456	0	39	-1.0	-48.57	335.93	2.32	-46.25
CCCC(NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=NN=N[N-]1	REAL300019736456	1	39	-1.0	-48.56	335.99	2.34	-46.22
CCCC(NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019736457	0	49	-1.0	-49.15	379.86	6.12	-43.03
CCCC(NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019736457	1	49	-1.0	-49.13	379.92	6.13	-43.00
CCCC(NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=N[N-]N=N1	REAL300019736458	0	43	-1.0	-54.16	369.20	1.00	-53.16
CCCC(NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=NN=N[N-]1	REAL300019736458	1	43	-1.0	-54.20	369.26	1.01	-53.19
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019736459	0	59	-1.0	-50.39	448.08	6.19	-44.20
CCCC(NC(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019736459	1	59	-1.0	-50.39	448.13	6.21	-44.18
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2C=C1)C1=N[N-]N=N1	REAL300019736460	0	38	-1.0	-51.01	338.77	6.41	-44.60
CCCC(NC(=O)C1=CC2=C(Br)C=CC=C2C=C1)C1=NN=N[N-]1	REAL300019736460	1	38	-1.0	-50.99	338.83	6.42	-44.57
CCCC(NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019736461	0	44	-1.0	-47.51	370.55	7.39	-40.12
CCCC(NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019736461	1	44	-1.0	-47.52	370.61	7.41	-40.11
CCCC(NC(=O)C1=CC2=CC(C)=CC(F)=C2N=C1)C1=NN=N[N-]1	REAL300019736462	0	40	-1.0	-46.50	343.25	4.76	-41.74
CCCC(NC(=O)C1=CC2=CC(C)=CC(F)=C2N=C1)C1=N[N-]N=N1	REAL300019736462	1	40	-1.0	-46.49	343.19	4.74	-41.75
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019736463	0	45	-1.0	-45.59	375.95	5.38	-40.21
CCCC(NC(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019736463	1	45	-1.0	-45.56	376.01	5.39	-40.17
CCCC(NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL300019736464	0	38	-1.0	-49.28	338.31	-0.19	-49.47
CCCC(NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL300019736464	1	38	-1.0	-49.27	338.25	-0.21	-49.48
CCCC(NC(=O)C1=CC2=C(OC)C=CC(C)=C2N1)C1=N[N-]N=N1	REAL300019736465	0	43	-1.0	-49.05	358.76	3.50	-45.55
CCCC(NC(=O)C1=CC2=C(OC)C=CC(C)=C2N1)C1=NN=N[N-]1	REAL300019736465	1	43	-1.0	-49.05	358.82	3.52	-45.53
CCCCOC1=CC=C(CC(=O)NC(CCC)C2=N[N-]N=N2)C=C1	REAL300019736466	0	48	-1.0	-47.68	393.28	6.10	-41.58
CCCCOC1=CC=C(CC(=O)NC(CCC)C2=NN=N[N-]2)C=C1	REAL300019736466	1	48	-1.0	-47.64	393.33	6.12	-41.52
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019736467	0	49	-1.0	-61.87	412.01	2.00	-59.87
CCCC(NC(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019736467	1	49	-1.0	-61.84	412.07	2.01	-59.83
CCCC(NC(=O)C1=CC2=CC=C(OC)N=C2C=C1)C1=NN=N[N-]1	REAL300019736468	0	41	-1.0	-46.55	347.58	2.53	-44.02
CCCC(NC(=O)C1=CC2=CC=C(OC)N=C2C=C1)C1=N[N-]N=N1	REAL300019736468	1	41	-1.0	-46.57	347.52	2.52	-44.05
CCCC(NC(=O)C1=CN=C2SC(C)=CN12)C1=NN=N[N-]1	REAL300019736469	0	35	-1.0	-47.81	311.11	4.05	-43.76
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019736470	0	42	-1.0	-47.27	371.22	4.39	-42.88
CCCC(NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300019736470	1	42	-1.0	-47.27	371.28	4.40	-42.87
CCCC(NC(=O)C1=CC(Cl)=C(Cl)S1)C1=N[N-]N=N1	REAL300019736471	0	29	-1.0	-41.21	299.47	3.73	-37.48
CCCC(NC(=O)C1=CC(Cl)=C(Cl)S1)C1=NN=N[N-]1	REAL300019736471	1	29	-1.0	-41.18	299.53	3.75	-37.43
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL300019736472	0	43	-1.0	-47.62	348.37	4.25	-43.37
CCCC(NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300019736472	1	43	-1.0	-47.62	348.31	4.23	-43.39
CCCC(NC(=O)C1CCC2(CC(OC)C2)CC1)C1=N[N-]N=N1	REAL300019736473	0	49	-1.0	-45.26	377.37	4.48	-40.78
CCCC(NC(=O)C1CCC2(CC(OC)C2)CC1)C1=NN=N[N-]1	REAL300019736473	1	49	-1.0	-45.31	377.43	4.50	-40.81
CCCC(CCC1=CC=CC=C1)C(=O)NC(CCC)C1=N[N-]N=N1	REAL300019736474	0	50	-1.0	-49.42	396.19	7.60	-41.82
CCCC(CCC1=CC=CC=C1)C(=O)NC(CCC)C1=NN=N[N-]1	REAL300019736474	1	50	-1.0	-49.45	396.25	7.62	-41.83
CCCC(NC(=O)C1CCC(C(C)(C)CC)CC1)C1=N[N-]N=N1	REAL300019736475	0	53	-1.0	-48.27	376.57	6.21	-42.06
CCCC(NC(=O)C1CCC(C(C)(C)CC)CC1)C1=NN=N[N-]1	REAL300019736475	1	53	-1.0	-48.26	376.63	6.23	-42.03
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2N=C1)C1=NN=N[N-]1	REAL300019736476	0	40	-1.0	-46.49	337.03	4.67	-41.82
CCCC(NC(=O)C1=CC2=CC(C)=CC=C2N=C1)C1=N[N-]N=N1	REAL300019736476	1	40	-1.0	-46.50	336.97	4.66	-41.84
CCCC(NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=N[N-]N=N1	REAL300019736477	0	37	-1.0	-51.63	331.86	1.23	-50.40
CCCC(NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=NN=N[N-]1	REAL300019736477	1	37	-1.0	-51.59	331.92	1.25	-50.34
CCCC(NC(=O)C1CCC2(CC(=O)C2)CC1)C1=N[N-]N=N1	REAL300019736478	0	44	-1.0	-50.72	347.42	4.64	-46.08
CCCC(NC(=O)C1CCC2(CC(=O)C2)CC1)C1=NN=N[N-]1	REAL300019736478	1	44	-1.0	-50.72	347.48	4.66	-46.06
CCCC(NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300019736479	0	39	-1.0	-53.93	330.25	3.38	-50.55
CCCC(NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300019736479	1	39	-1.0	-53.93	330.31	3.39	-50.54
CCCC(NC(=O)C(CC)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019736480	0	47	-1.0	-49.00	374.69	6.84	-42.16
CCCC(NC(=O)C(CC)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019736480	1	47	-1.0	-48.99	374.75	6.85	-42.14
CCCC(NC(=O)C(F)(F)C1(OC)CCCC1)C1=N[N-]N=N1	REAL300019736481	0	42	-1.0	-42.72	333.73	4.01	-38.71
CCCC(NC(=O)C(F)(F)C1(OC)CCCC1)C1=NN=N[N-]1	REAL300019736481	1	42	-1.0	-42.72	333.79	4.02	-38.70
CCCC(NC(=O)CCC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300019736482	0	46	-1.0	-46.35	374.03	5.19	-41.16
CCCC(NC(=O)CCC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300019736482	1	46	-1.0	-46.32	374.09	5.20	-41.12
CCCC(NC(=O)C1CC12CCC(F)(F)CC2)C1=N[N-]N=N1	REAL300019736483	0	42	-1.0	-44.96	340.56	5.25	-39.71
CCCC(NC(=O)C1CC12CCC(F)(F)CC2)C1=NN=N[N-]1	REAL300019736483	1	42	-1.0	-44.96	340.62	5.27	-39.69
CCCC(NC(=O)C1=CC=C(C)C(Br)=N1)C1=NN=N[N-]1	REAL300019736484	0	34	-1.0	-45.74	311.27	2.97	-42.77
CCCC(NC(=O)C1=CC=C(C)C(Br)=N1)C1=N[N-]N=N1	REAL300019736484	1	34	-1.0	-45.76	311.21	2.96	-42.80
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=N[N-]N=N1	REAL300019736485	0	42	-1.0	-44.19	354.70	4.88	-39.31
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=NN=N[N-]1	REAL300019736485	1	42	-1.0	-44.18	354.76	4.90	-39.28
CCCC(NC(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=NN=N[N-]1	REAL300019736486	0	36	-1.0	-44.83	322.38	3.49	-41.34
CCCC(NC(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=N[N-]N=N1	REAL300019736486	1	36	-1.0	-44.84	322.32	3.48	-41.36
CCCC(NC(=O)C1=CC(C(=O)OC)=CS1)C1=N[N-]N=N1	REAL300019736487	0	35	-1.0	-50.52	322.35	3.28	-47.24
CCCC(NC(=O)C1=CC(C(=O)OC)=CS1)C1=NN=N[N-]1	REAL300019736487	1	35	-1.0	-50.50	322.41	3.29	-47.21
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019736488	0	43	-1.0	-45.14	345.85	4.14	-41.00
CCCC(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019736488	1	43	-1.0	-45.15	345.79	4.13	-41.02
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300019736489	0	40	-1.0	-45.03	363.90	5.75	-39.28
CCCC(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300019736489	1	40	-1.0	-45.01	363.96	5.77	-39.24
CCCC(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=NN=N[N-]1	REAL300019736490	0	46	-1.0	-57.47	372.52	5.04	-52.43
CCCC(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=N[N-]N=N1	REAL300019736490	1	46	-1.0	-57.44	372.46	5.03	-52.41
CCCC(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=N[N-]N=N1	REAL300019736491	0	43	-1.0	-53.73	349.64	5.16	-48.57
CCCC(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=NN=N[N-]1	REAL300019736491	1	43	-1.0	-53.73	349.69	5.17	-48.56
CCCC(NC(=O)CCC1=CC=CC(Br)=C1F)C1=N[N-]N=N1	REAL300019736492	0	38	-1.0	-44.87	346.37	5.73	-39.14
CCCC(NC(=O)CCC1=CC=CC(Br)=C1F)C1=NN=N[N-]1	REAL300019736492	1	38	-1.0	-44.86	346.43	5.75	-39.11
CCCC(NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=N[N-]N=N1	REAL300019736493	0	38	-1.0	-48.41	335.09	2.61	-45.80
CCCC(NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=NN=N[N-]1	REAL300019736493	1	38	-1.0	-48.38	335.15	2.62	-45.76
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)OC)C1=N[N-]N=N1	REAL300019736494	0	43	-1.0	-57.25	348.94	2.89	-54.36
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)OC)C1=NN=N[N-]1	REAL300019736494	1	43	-1.0	-57.28	349.00	2.90	-54.38
CCCC(NC(=O)C(=O)C1=CC=C(CC)S1)C1=N[N-]N=N1	REAL300019736495	0	37	-1.0	-42.29	329.79	4.08	-38.21
CCCC(NC(=O)C(=O)C1=CC=C(CC)S1)C1=NN=N[N-]1	REAL300019736495	1	37	-1.0	-42.28	329.85	4.10	-38.18
CCCC(NC(=O)C1=CC(F)=C(OC)C=C1Br)C1=N[N-]N=N1	REAL300019736496	0	36	-1.0	-44.26	326.16	3.63	-40.63
CCCC(NC(=O)C1=CC(F)=C(OC)C=C1Br)C1=NN=N[N-]1	REAL300019736496	1	36	-1.0	-44.28	326.22	3.65	-40.63
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=N[N-]N=N1	REAL300019736497	0	50	-1.0	-45.69	401.04	3.23	-42.46
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=NN=N[N-]1	REAL300019736497	1	50	-1.0	-45.67	401.10	3.24	-42.43
CCCC(NC(=O)C1=CC(C2CCCC2)=NN1)C1=N[N-]N=N1	REAL300019736498	0	42	-1.0	-43.76	340.66	3.17	-40.59
CCCC(NC(=O)C1=CC(C2CCCC2)=NN1)C1=NN=N[N-]1	REAL300019736498	1	42	-1.0	-43.79	340.71	3.19	-40.60
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300019736499	0	44	-1.0	-48.05	364.63	2.19	-45.86
CCCC(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300019736499	1	44	-1.0	-48.03	364.68	2.20	-45.83
CCCC(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=N[N-]N=N1	REAL300019736500	0	40	-1.0	-47.63	328.35	2.79	-44.84
CCCC(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NN=N[N-]1	REAL300019736500	1	40	-1.0	-47.64	328.40	2.80	-44.84
CCCC(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300019736501	0	40	-1.0	-49.56	344.11	2.57	-46.99
CCCC(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300019736501	1	40	-1.0	-49.57	344.17	2.58	-46.99
CCCC(NC(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C1=N[N-]N=N1	REAL300019736502	0	44	-1.0	-47.26	364.29	6.32	-40.94
CCCC(NC(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C1=NN=N[N-]1	REAL300019736502	1	44	-1.0	-47.27	364.35	6.33	-40.94
CCCC(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=N[N-]N=N1	REAL300019736503	0	39	-1.0	-42.84	323.60	0.28	-42.56
CCCC(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=NN=N[N-]1	REAL300019736503	1	39	-1.0	-42.84	323.66	0.30	-42.54
CCCC(NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL300019736504	0	37	-1.0	-47.00	321.51	3.30	-43.70
CCCC(NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL300019736504	1	37	-1.0	-46.95	321.57	3.32	-43.63
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=N[N-]N=N1	REAL300019736505	0	40	-1.0	-52.94	343.84	1.90	-51.04
CCCC(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=NN=N[N-]1	REAL300019736505	1	40	-1.0	-52.90	343.90	1.91	-50.99
CCCC(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019736506	0	41	-1.0	-53.95	338.80	1.45	-52.50
CCCC(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019736506	1	41	-1.0	-53.96	338.74	1.43	-52.53
CCCC(NC(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=NN=N[N-]1	REAL300019736507	0	36	-1.0	-48.68	328.97	2.83	-45.85
CCCC(NC(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=N[N-]N=N1	REAL300019736507	1	36	-1.0	-48.62	328.92	2.82	-45.80
CCCC(NC(=O)C(COCC)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736508	0	52	-1.0	-46.20	417.87	1.41	-44.79
CCCC(NC(=O)C(COCC)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736508	1	52	-1.0	-46.24	417.92	1.43	-44.81
CCCC(NC(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019736509	0	59	-1.0	-61.87	444.28	6.03	-55.84
CCCC(NC(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019736509	1	59	-1.0	-61.85	444.33	6.05	-55.80
CCCC(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736510	0	55	-1.0	-46.77	423.26	4.89	-41.88
CCCC(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736510	1	55	-1.0	-46.75	423.32	4.90	-41.85
CCCC(NC(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736511	0	59	-1.0	-47.62	455.63	6.62	-41.00
CCCC(NC(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736511	1	59	-1.0	-47.63	455.69	6.63	-41.00
CCCC(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019736512	0	52	-1.0	-45.40	404.54	3.49	-41.91
CCCC(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019736512	1	52	-1.0	-45.41	404.60	3.50	-41.91
CCCC(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019736513	0	53	-1.0	-52.01	422.69	3.83	-48.18
CCCC(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019736513	1	53	-1.0	-52.05	422.75	3.84	-48.21
CCCC(NC(=O)C(C)OC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL300019736514	0	43	-1.0	-54.50	353.72	4.55	-49.95
CCCC(NC(=O)C(C)OC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL300019736514	1	43	-1.0	-54.50	353.78	4.56	-49.94
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019736515	0	46	-1.0	-54.80	376.93	2.07	-52.73
CCCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019736515	1	46	-1.0	-54.81	376.99	2.08	-52.73
CCCC(NC(=O)C1=C(CC)N=C2SC(C)=CN21)C1=NN=N[N-]1	REAL300019736516	0	41	-1.0	-48.03	350.61	5.39	-42.64
CCCC(NC(=O)C1CCC(C2CCCO2)O1)C1=N[N-]N=N1	REAL300019736517	0	44	-1.0	-49.08	352.90	2.89	-46.19
CCCC(NC(=O)C1CCC(C2CCCO2)O1)C1=NN=N[N-]1	REAL300019736517	1	44	-1.0	-49.07	352.96	2.91	-46.16
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=N[N-]N=N1	REAL300019736518	0	35	-1.0	-46.20	325.62	5.04	-41.16
CCCC(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NN=N[N-]1	REAL300019736518	1	35	-1.0	-46.22	325.68	5.06	-41.16
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=N[N-]N=N1	REAL300019736519	0	37	-1.0	-46.73	325.65	4.99	-41.74
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=NN=N[N-]1	REAL300019736519	1	37	-1.0	-46.74	325.71	5.01	-41.73
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300019736520	0	37	-1.0	-63.82	317.14	2.27	-61.55
CCCC(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300019736520	1	37	-1.0	-63.83	317.08	2.26	-61.57
CCCC(NC(=O)C1=CN=C2OCCCC2=C1)C1=NN=N[N-]1	REAL300019736521	0	39	-1.0	-46.87	323.11	1.16	-45.71
CCCC(NC(=O)C1=CN=C2OCCCC2=C1)C1=N[N-]N=N1	REAL300019736521	1	39	-1.0	-46.90	323.05	1.15	-45.75
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=N[N-]N=N1	REAL300019736522	0	37	-1.0	-42.16	328.20	2.86	-39.30
CCCC(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NN=N[N-]1	REAL300019736522	1	37	-1.0	-42.24	328.26	2.87	-39.37
CCCC(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019736523	0	41	-1.0	-41.80	352.05	6.01	-35.79
CCCC(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019736523	1	41	-1.0	-41.83	352.11	6.03	-35.80
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=N[N-]N=N1	REAL300019736524	0	35	-1.0	-45.85	325.42	4.92	-40.93
CCCC(NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=NN=N[N-]1	REAL300019736524	1	35	-1.0	-45.82	325.48	4.94	-40.88
CCCC(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=N[N-]N=N1	REAL300019736525	0	43	-1.0	-51.96	368.76	-0.14	-52.10
CCCC(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=NN=N[N-]1	REAL300019736525	1	43	-1.0	-51.99	368.82	-0.13	-52.12
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=N[N-]N=N1	REAL300019736526	0	38	-1.0	-43.37	352.41	6.02	-37.35
CCCC(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=NN=N[N-]1	REAL300019736526	1	38	-1.0	-43.37	352.47	6.04	-37.33
CCCC(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=N[N-]N=N1	REAL300019736527	0	45	-1.0	-46.07	382.07	7.10	-38.97
CCCC(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NN=N[N-]1	REAL300019736527	1	45	-1.0	-46.05	382.13	7.11	-38.94
CCCC(NC(=O)CCN(OC)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019736528	0	49	-1.0	-45.00	397.86	3.68	-41.32
CCCC(NC(=O)CCN(OC)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019736528	1	49	-1.0	-44.98	397.91	3.69	-41.29
CCCC(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019736529	0	34	-1.0	-44.08	315.41	1.50	-42.58
CCCC(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019736529	1	34	-1.0	-44.09	315.47	1.51	-42.58
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300019736530	0	45	-1.0	-43.68	374.76	2.22	-41.46
CCCC(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300019736530	1	45	-1.0	-43.73	374.82	2.24	-41.49
CCCC(NC(=O)C1=CC(C(=O)OC)=NC=C1F)C1=NN=N[N-]1	REAL300019736531	0	37	-1.0	-45.77	329.91	2.57	-43.20
CCCC(NC(=O)C1=CC(C(=O)OC)=NC=C1F)C1=N[N-]N=N1	REAL300019736531	1	37	-1.0	-45.72	329.85	2.56	-43.16
CCCC(NC(=O)C1=CC(C)=CC2=C1OCC2)C1=N[N-]N=N1	REAL300019736532	0	40	-1.0	-53.56	330.64	5.04	-48.52
CCCC(NC(=O)C1=CC(C)=CC2=C1OCC2)C1=NN=N[N-]1	REAL300019736532	1	40	-1.0	-53.58	330.69	5.05	-48.53
CCCC(NC(=O)C1=C2SC=CC2=CN=C1)C1=NN=N[N-]1	REAL300019736533	0	34	-1.0	-48.58	304.06	3.23	-45.35
CCCC(NC(=O)C1=C2SC=CC2=CN=C1)C1=N[N-]N=N1	REAL300019736533	1	34	-1.0	-48.57	304.00	3.22	-45.35
CCCC(NC(=O)CC1=CC=CC=C1COC(C)C)C1=N[N-]N=N1	REAL300019736534	0	48	-1.0	-47.15	390.32	5.78	-41.37
CCCC(NC(=O)CC1=CC=CC=C1COC(C)C)C1=NN=N[N-]1	REAL300019736534	1	48	-1.0	-47.13	390.38	5.80	-41.33
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019736535	0	39	-1.0	-47.82	355.50	6.43	-41.39
CCCC(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019736535	1	39	-1.0	-47.79	355.56	6.45	-41.34
CCCC(NC(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=N[N-]N=N1	REAL300019736536	0	40	-1.0	-53.05	363.42	5.61	-47.44
CCCC(NC(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=NN=N[N-]1	REAL300019736536	1	40	-1.0	-53.01	363.48	5.63	-47.38
CCCC(NC(=O)CN1C=C(I)C=N1)C1=NN=N[N-]1	REAL300019736537	0	32	-1.0	-52.38	307.42	2.84	-49.54
CCCC(NC(=O)CN1C=C(I)C=N1)C1=N[N-]N=N1	REAL300019736537	1	32	-1.0	-52.38	307.38	2.82	-49.56
CCCC(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=NN=N[N-]1	REAL300019736538	0	35	-1.0	-44.99	321.05	4.56	-40.43
CCCC(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=N[N-]N=N1	REAL300019736538	1	35	-1.0	-45.02	321.00	4.55	-40.47
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=N[N-]N=N1	REAL300019736539	0	38	-1.0	-48.26	332.40	1.95	-46.31
CCCC(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=NN=N[N-]1	REAL300019736539	1	38	-1.0	-48.27	332.46	1.97	-46.30
CCCC(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=NN=N[N-]1	REAL300019736540	0	42	-1.0	-53.76	362.28	-0.02	-53.78
CCCC(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=N[N-]N=N1	REAL300019736540	1	42	-1.0	-53.76	362.22	-0.04	-53.80
CCCC(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=NN=N[N-]1	REAL300019736541	0	32	-1.0	-38.13	308.44	-0.02	-38.15
CCCC(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=N[N-]N=N1	REAL300019736541	1	32	-1.0	-38.14	308.38	-0.03	-38.17
CCCC(NC(=O)C1=CC(Cl)=C(OC)C2=CC=CN=C12)C1=NN=N[N-]1	REAL300019736542	0	41	-1.0	-52.37	362.33	4.49	-47.88
CCCC(NC(=O)C1=CC(Cl)=C(OC)C2=CC=CN=C12)C1=N[N-]N=N1	REAL300019736542	1	41	-1.0	-52.38	362.28	4.48	-47.90
CCCC(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=NN=N[N-]1	REAL300019736543	0	47	-1.0	-45.91	390.26	3.72	-42.19
CCCC(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=N[N-]N=N1	REAL300019736543	1	47	-1.0	-45.88	390.20	3.70	-42.18
CN1C(=O)CSC1=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746202	0	36	-1.0	-48.01	302.17	3.19	-44.82
CN1C(=O)CSC1=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746202	1	36	-1.0	-48.03	302.23	3.21	-44.82
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C2=CC=CC=C2)=NO1	REAL300019746203	0	44	-1.0	-46.59	351.84	5.59	-41.00
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C2=CC=CC=C2)=NO1	REAL300019746203	1	44	-1.0	-46.57	351.90	5.61	-40.96
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1=C(F)C=CC=C1F	REAL300019746204	0	43	-1.0	-49.27	366.62	4.73	-44.54
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1=C(F)C=CC=C1F	REAL300019746204	1	43	-1.0	-49.24	366.68	4.76	-44.48
CN(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300019746205	0	44	-1.0	-45.41	354.64	4.84	-40.57
CN(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019746205	1	44	-1.0	-45.43	354.70	4.87	-40.56
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019746205	1	45	0.0	-63.49	355.16	6.89	-56.60
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300019746206	0	48	-1.0	-43.14	364.66	6.02	-37.12
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300019746206	1	48	-1.0	-43.15	364.72	6.05	-37.10
CC1=CC=CC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N21	REAL300019746207	0	39	-1.0	-48.01	305.74	5.24	-42.77
CC1=CC=CC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N21	REAL300019746207	1	39	-1.0	-48.03	305.68	5.21	-42.82
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(=O)C2=CC=CC=C21	REAL300019746208	0	42	-1.0	-46.71	341.89	4.04	-42.67
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(=O)C2=CC=CC=C21	REAL300019746208	1	42	-1.0	-46.69	341.95	4.06	-42.63
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C21	REAL300019746209	0	48	-1.0	-52.07	361.41	6.02	-46.05
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C21	REAL300019746209	1	48	-1.0	-52.02	361.46	6.04	-45.98
CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300019746210	0	43	-1.0	-47.68	350.40	4.26	-43.42
CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300019746210	1	43	-1.0	-47.63	350.46	4.29	-43.34
CSC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746211	0	37	-1.0	-38.25	329.93	6.01	-32.24
CSC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746211	1	37	-1.0	-38.24	329.99	6.03	-32.21
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(NC2CC2)=N1	REAL300019746212	0	44	-1.0	-38.22	350.91	4.55	-33.67
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(NC2CC2)=N1	REAL300019746212	1	44	-1.0	-38.21	350.97	4.58	-33.63
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Br	REAL300019746213	0	40	-1.0	-46.26	335.93	5.19	-41.07
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300019746213	1	40	-1.0	-46.24	335.99	5.21	-41.03
CC1=CC=C(C2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C=C1C	REAL300019746214	0	45	-1.0	-39.76	373.04	6.55	-33.21
CC1=CC=C(C2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C=C1C	REAL300019746214	1	45	-1.0	-39.72	372.99	6.53	-33.19
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746215	0	42	-1.0	-47.30	355.67	5.35	-41.95
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746215	1	42	-1.0	-47.33	355.73	5.37	-41.96
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746216	0	42	-1.0	-44.12	348.61	5.28	-38.84
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746216	1	42	-1.0	-44.10	348.67	5.30	-38.80
O=C(C1CCC2(CC2(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746217	0	43	-1.0	-37.49	328.89	6.03	-31.46
O=C(C1CCC2(CC2(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746217	1	43	-1.0	-37.49	328.95	6.06	-31.43
O=C(C1=CC=C(C(F)F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746218	0	36	-1.0	-48.69	310.32	5.41	-43.28
O=C(C1=CC=C(C(F)F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746218	1	36	-1.0	-48.70	310.38	5.44	-43.26
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746219	0	41	-1.0	-48.44	345.80	6.09	-42.35
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746219	1	41	-1.0	-48.44	345.86	6.12	-42.32
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746220	0	37	-1.0	-43.48	325.82	4.47	-39.01
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746220	1	37	-1.0	-43.51	325.87	4.50	-39.01
NC1=C(Cl)C(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300019746221	0	35	-1.0	-42.30	319.36	3.53	-38.77
NC1=C(Cl)C(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300019746221	1	35	-1.0	-42.29	319.42	3.56	-38.73
CC(C)(C)OC(=O)N1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1C1CC1	REAL300019746222	0	57	-1.0	-53.99	424.79	7.56	-46.43
CC(C)(C)OC(=O)N1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1C1CC1	REAL300019746222	1	57	-1.0	-54.04	424.84	7.59	-46.45
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746223	0	44	-1.0	-53.52	368.26	1.22	-52.30
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746223	1	44	-1.0	-53.55	368.32	1.24	-52.31
O=C(NC1=CN=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300019746224	0	39	-1.0	-43.85	338.08	2.20	-41.65
O=C(NC1=CN=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300019746224	1	39	-1.0	-43.87	338.02	2.17	-41.70
O=C(C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746225	0	35	-1.0	-43.40	338.08	6.35	-37.05
O=C(C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746225	1	35	-1.0	-43.43	338.13	6.37	-37.06
COC1=CC=CC(O)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746226	0	38	-1.0	-53.06	314.26	1.16	-51.90
COC1=CC=CC(O)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746226	1	38	-1.0	-53.09	314.31	1.19	-51.90
O=C(C1=CSC(N2CCCCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746227	0	44	-1.0	-44.59	351.84	4.74	-39.85
O=C(C1=CSC(N2CCCCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746227	1	44	-1.0	-44.60	351.79	4.71	-39.89
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746228	0	40	-1.0	-44.15	336.67	3.17	-40.98
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746228	1	40	-1.0	-44.18	336.73	3.19	-40.99
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746229	0	53	-1.0	-54.23	386.31	7.20	-47.03
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746229	1	53	-1.0	-54.28	386.37	7.23	-47.05
O=C(C1=CC2=CN=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746230	0	38	-1.0	-46.42	311.11	4.91	-41.51
O=C(C1=CC2=CN=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746230	1	38	-1.0	-46.45	311.05	4.89	-41.56
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019746231	0	51	-1.0	-49.75	393.27	5.49	-44.26
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019746231	1	51	-1.0	-49.75	393.33	5.51	-44.24
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746232	0	47	-1.0	-54.80	380.41	1.99	-52.81
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746232	1	47	-1.0	-54.74	380.47	2.01	-52.73
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300019746233	0	43	-1.0	-55.61	367.18	-1.27	-56.88
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300019746233	1	43	-1.0	-55.56	367.24	-1.24	-56.80
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746234	0	36	-1.0	-39.47	301.73	0.51	-38.96
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746234	1	36	-1.0	-39.44	301.79	0.53	-38.91
CN1CCC(CC2=CC=CC=C2)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300019746235	0	50	-1.0	-57.47	371.17	6.02	-51.45
CN1CCC(CC2=CC=CC=C2)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300019746235	1	50	-1.0	-57.43	371.23	6.04	-51.39
CN1C(=O)[C@H](O)[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CC=C1	REAL300019746236	0	48	-1.0	-51.39	372.75	4.01	-47.38
CN1C(=O)[C@H](O)[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CC=C1	REAL300019746236	1	48	-1.0	-51.34	372.81	4.04	-47.30
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300019746237	0	52	0.0	-76.81	408.35	5.55	-71.26
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300019746237	1	52	0.0	-76.82	408.40	5.58	-71.24
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746238	0	41	-1.0	-46.74	339.05	4.80	-41.94
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746238	1	41	-1.0	-46.81	339.11	4.83	-41.98
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CCC1	REAL300019746239	0	52	-1.0	-42.55	379.84	6.73	-35.82
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CCC1	REAL300019746239	1	52	-1.0	-42.56	379.89	6.75	-35.81
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300019746240	0	44	-1.0	-49.71	364.84	6.07	-43.64
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300019746240	1	44	-1.0	-49.70	364.90	6.09	-43.61
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2F)=N1	REAL300019746241	0	42	-1.0	-42.10	358.84	6.23	-35.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2F)=N1	REAL300019746241	1	42	-1.0	-42.10	358.78	6.21	-35.89
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746242	0	38	-1.0	-45.61	320.45	7.13	-38.48
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746242	1	38	-1.0	-45.62	320.39	7.10	-38.52
O=C(C1=C2N=CSC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746243	0	35	-1.0	-43.39	302.19	3.88	-39.51
O=C(C1=C2N=CSC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746243	1	35	-1.0	-43.41	302.13	3.86	-39.55
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300019746244	0	36	-1.0	-53.89	313.61	0.05	-53.84
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300019746244	1	36	-1.0	-53.85	313.66	0.08	-53.77
O=C([C@@H]1CSC[C@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746245	0	44	-1.0	-48.35	348.47	7.26	-41.09
O=C([C@@H]1CSC[C@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746245	1	44	-1.0	-48.37	348.53	7.28	-41.09
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746246	0	36	-1.0	-39.32	316.00	5.46	-33.86
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746246	1	36	-1.0	-39.30	316.06	5.49	-33.81
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746247	0	40	-1.0	-44.35	326.99	7.62	-36.73
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746247	1	40	-1.0	-44.39	326.94	7.59	-36.80
O=C(C1=CC=CC=C1NCC1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746248	0	45	-1.0	-48.57	364.84	5.40	-43.17
O=C(C1=CC=CC=C1NCC1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746248	1	45	-1.0	-48.61	364.89	5.43	-43.18
O=C(C1=CC=CC=C1NCCC1=CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746249	0	55	-1.0	-44.94	422.51	8.27	-36.67
O=C(C1=CC=CC=C1NCCC1=CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746249	1	55	-1.0	-44.98	422.57	8.30	-36.68
CNC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746250	0	38	-1.0	-42.73	319.33	3.93	-38.80
CNC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746250	1	38	-1.0	-42.75	319.39	3.96	-38.79
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746251	0	44	-1.0	-45.44	347.58	4.53	-40.91
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746251	1	44	-1.0	-45.49	347.52	4.50	-40.99
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746252	0	47	-1.0	-45.61	375.42	5.34	-40.27
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746252	1	47	-1.0	-45.59	375.36	5.31	-40.28
O=C(N[C@H]1C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1)OCC1=CC=CC=C1	REAL300019746253	0	51	-1.0	-48.71	413.25	5.40	-43.31
O=C(N[C@H]1C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1)OCC1=CC=CC=C1	REAL300019746253	1	51	-1.0	-48.71	413.31	5.42	-43.29
O=C(C1CCS(=O)(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746254	0	35	-1.0	-61.65	289.97	-2.11	-63.76
O=C(C1CCS(=O)(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746254	1	35	-1.0	-61.67	290.02	-2.08	-63.75
CC(C)(O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019746255	0	49	-1.0	-48.77	348.40	3.26	-45.51
CC(C)(O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019746255	1	49	-1.0	-48.73	348.46	3.28	-45.45
O=C(C=CC1CCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746256	0	46	-1.0	-45.69	342.59	6.75	-38.94
O=C(C=CC1CCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746256	1	46	-1.0	-45.66	342.65	6.77	-38.89
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019746257	0	38	-1.0	-50.80	324.36	5.98	-44.82
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300019746257	1	38	-1.0	-50.84	324.42	6.00	-44.84
CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746258	0	52	-1.0	-46.42	388.07	4.03	-42.39
CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746258	1	52	-1.0	-46.44	388.13	4.06	-42.38
O=C(C1CCC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746259	0	43	-1.0	-45.33	334.10	7.02	-38.31
O=C(C1CCC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746259	1	43	-1.0	-45.34	334.16	7.04	-38.30
CC(COCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300019746260	0	46	-1.0	-49.49	367.49	7.17	-42.32
CC(COCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019746260	1	46	-1.0	-49.55	367.55	7.19	-42.36
O=C(COCCC1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746261	0	43	-1.0	-50.05	357.09	6.71	-43.34
O=C(COCCC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746261	1	43	-1.0	-50.06	357.15	6.74	-43.32
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746262	0	56	-1.0	-46.27	424.23	4.89	-41.38
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746262	1	56	-1.0	-46.29	424.29	4.91	-41.38
O=C(C1CCOC2=CC=C(Br)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746263	0	41	-1.0	-49.37	343.52	5.67	-43.70
O=C(C1CCOC2=CC=C(Br)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746263	1	41	-1.0	-49.37	343.58	5.69	-43.68
CNC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300019746264	0	42	-1.0	-47.43	352.98	2.41	-45.02
CNC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300019746264	1	42	-1.0	-47.46	353.04	2.43	-45.03
O=C(CN1N=C2CCCCN2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746265	0	43	-1.0	-58.14	345.21	4.77	-53.37
O=C(CN1N=C2CCCCN2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746265	1	43	-1.0	-58.15	345.27	4.79	-53.36
O=C(C1=CC(F)=CC2=CC=NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746266	0	38	-1.0	-47.02	316.08	4.96	-42.06
O=C(C1=CC(F)=CC2=CC=NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746266	1	38	-1.0	-47.01	316.02	4.93	-42.08
O=C(C1=CC2=C(S1)C(=O)NC=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746267	0	36	-1.0	-49.98	312.64	2.80	-47.18
O=C(C1=CC2=C(S1)C(=O)NC=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746267	1	36	-1.0	-49.97	312.70	2.82	-47.15
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746268	0	41	-1.0	-45.83	351.77	6.65	-39.18
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746268	1	41	-1.0	-45.80	351.71	6.63	-39.17
CC1=NN=NN1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746269	0	41	-1.0	-48.27	337.34	4.44	-43.83
CC1=NN=NN1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746269	1	41	-1.0	-48.28	337.40	4.47	-43.81
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746270	0	48	-1.0	-49.00	399.01	8.06	-40.94
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746270	1	48	-1.0	-49.00	399.07	8.08	-40.92
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746271	0	49	-1.0	-51.31	390.07	6.67	-44.64
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746271	1	49	-1.0	-51.34	390.13	6.69	-44.65
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746272	0	54	-1.0	-53.23	419.93	8.51	-44.72
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746272	1	54	-1.0	-53.21	419.99	8.53	-44.68
O=C(CCCC1=CC=C2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746273	0	52	-1.0	-48.82	400.29	9.53	-39.29
O=C(CCCC1=CC=C2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746273	1	52	-1.0	-48.86	400.35	9.56	-39.30
O=C(C1=CC=CC2=C1OCCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746274	0	42	-1.0	-52.11	333.99	4.69	-47.42
O=C(C1=CC=CC2=C1OCCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746274	1	42	-1.0	-52.10	334.04	4.72	-47.38
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(N2C=NN=N2)CCCCC1	REAL300019746275	0	44	-1.0	-40.21	330.04	5.00	-35.21
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(N2C=NN=N2)CCCCC1	REAL300019746275	1	44	-1.0	-40.20	329.98	4.97	-35.23
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2Cl)CCC1	REAL300019746276	0	43	-1.0	-49.41	340.54	6.91	-42.50
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2Cl)CCC1	REAL300019746276	1	43	-1.0	-49.44	340.60	6.93	-42.51
CSC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746277	0	36	-1.0	-43.84	302.29	4.29	-39.55
CSC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746277	1	36	-1.0	-43.86	302.23	4.27	-39.59
O=C(C1=NSC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746278	0	29	-1.0	-45.39	271.17	3.14	-42.25
O=C(C1=NSC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746278	1	29	-1.0	-45.39	271.11	3.11	-42.28
O=C(C(CC1CCCO1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746279	0	43	-1.0	-48.90	341.24	4.68	-44.22
O=C(C(CC1CCCO1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746279	1	43	-1.0	-48.88	341.30	4.70	-44.18
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300019746280	0	54	-1.0	-42.29	387.67	6.92	-35.37
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300019746280	1	54	-1.0	-42.28	387.73	6.95	-35.33
CCC1=NC=CN1C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746281	0	45	-1.0	-45.36	353.00	5.93	-39.43
CCC1=NC=CN1C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746281	1	45	-1.0	-45.35	353.06	5.96	-39.39
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746281	1	46	0.0	-62.15	356.19	6.40	-55.75
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746281	1	46	0.0	-62.13	356.25	6.42	-55.71
CCCOC1=CC=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019746282	0	44	-1.0	-50.86	360.36	2.69	-48.17
CCCOC1=CC=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019746282	1	44	-1.0	-50.86	360.41	2.71	-48.15
O=C(N[C@@H](CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019746283	0	44	-1.0	-46.65	364.25	0.62	-46.03
O=C(N[C@@H](CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019746283	1	44	-1.0	-46.59	364.31	0.65	-45.94
O=C(CC1=CC=C(F)C=C1)N[C@@H](CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746284	0	47	-1.0	-48.24	389.09	1.29	-46.95
O=C(CC1=CC=C(F)C=C1)N[C@@H](CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746284	1	47	-1.0	-48.27	389.14	1.32	-46.95
O=C(N[C@@H](CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(F)=N1	REAL300019746285	0	43	-1.0	-53.34	359.38	-1.24	-54.58
O=C(N[C@@H](CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(F)=N1	REAL300019746285	1	43	-1.0	-53.36	359.32	-1.26	-54.62
O=C(C1=C2C=CC(Cl)=CN2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746286	0	36	-1.0	-44.03	312.03	7.09	-36.94
O=C(C1=C2C=CC(Cl)=CN2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746286	1	36	-1.0	-43.97	311.97	7.06	-36.91
O=C(CC1=CN2CCCCC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746287	0	43	-1.0	-56.88	337.67	5.74	-51.14
O=C(CC1=CN2CCCCC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746287	1	43	-1.0	-56.86	337.73	5.76	-51.10
CSC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019746288	0	36	-1.0	-44.59	305.35	4.56	-40.03
CSC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019746288	1	36	-1.0	-44.57	305.29	4.54	-40.03
CCC(CC)(COCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746289	0	55	-1.0	-45.22	409.03	7.28	-37.94
CCC(CC)(COCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746289	1	55	-1.0	-45.22	409.08	7.31	-37.91
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746290	0	58	0.0	-67.75	429.05	3.95	-63.80
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746290	1	58	0.0	-67.78	429.10	3.97	-63.81
COC1=CC=C(CN2N=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C)C=C1	REAL300019746291	0	49	-1.0	-49.75	391.08	4.83	-44.92
COC1=CC=C(CN2N=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C)C=C1	REAL300019746291	1	49	-1.0	-49.77	391.14	4.85	-44.92
O=C(CC1(CN2C=NN=N2)CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746292	0	50	-1.0	-41.31	367.24	6.36	-34.95
O=C(CC1(CN2C=NN=N2)CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746292	1	50	-1.0	-41.29	367.18	6.33	-34.96
N#CC1=CC(Br)=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746293	0	37	-1.0	-49.33	334.71	6.28	-43.05
N#CC1=CC(Br)=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746293	1	37	-1.0	-49.40	334.77	6.30	-43.10
O=C(C1=CN=C(C2=CC=CC(Cl)=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746294	0	39	-1.0	-39.00	351.43	5.87	-33.13
O=C(C1=CN=C(C2=CC=CC(Cl)=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746294	1	39	-1.0	-38.99	351.37	5.85	-33.14
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746295	0	39	-1.0	-43.87	342.88	5.62	-38.25
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746295	1	39	-1.0	-43.87	342.82	5.59	-38.28
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300019746296	0	39	-1.0	-35.49	325.63	6.35	-29.14
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019746296	1	39	-1.0	-35.47	325.69	6.38	-29.09
COC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300019746297	0	36	-1.0	-44.45	302.68	3.34	-41.11
COC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300019746297	1	36	-1.0	-44.46	302.74	3.36	-41.10
CC(C)OC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300019746298	0	43	-1.0	-44.27	359.42	5.93	-38.34
CC(C)OC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300019746298	1	43	-1.0	-44.28	359.48	5.95	-38.33
O=C(CC1C2CC3CC(C2)CC1C3)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746299	0	50	-1.0	-46.68	348.48	7.22	-39.46
O=C(CC1C2CC3CC(C2)CC1C3)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746299	1	50	-1.0	-46.65	348.53	7.24	-39.41
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(C(=O)N1)C2C3	REAL300019746300	0	42	-1.0	-42.99	314.25	2.51	-40.48
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(C(=O)N1)C2C3	REAL300019746300	1	42	-1.0	-43.02	314.31	2.53	-40.49
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746301	0	47	-1.0	-52.53	370.96	2.93	-49.60
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746301	1	47	-1.0	-52.52	371.01	2.95	-49.57
NC(=O)C1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746302	0	36	-1.0	-66.02	307.60	0.27	-65.75
NC(=O)C1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746302	1	36	-1.0	-65.99	307.54	0.24	-65.75
CC1=CC=CC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2C)=C1	REAL300019746303	0	47	-1.0	-46.55	366.16	7.68	-38.87
CC1=CC=CC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2C)=C1	REAL300019746303	1	47	-1.0	-46.62	366.21	7.71	-38.91
O=C([C@@H]1CCO[C@H]1C1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746304	0	43	-1.0	-47.77	337.75	3.60	-44.17
O=C([C@@H]1CCO[C@H]1C1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746304	1	43	-1.0	-47.81	337.80	3.63	-44.18
O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746305	0	41	-1.0	-51.33	333.76	4.59	-46.74
O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746305	1	41	-1.0	-51.31	333.82	4.62	-46.69
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746306	0	41	-1.0	-56.74	333.04	4.57	-52.17
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746306	1	41	-1.0	-56.73	333.10	4.59	-52.14
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746307	0	49	-1.0	-53.65	392.69	3.26	-50.39
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746307	1	49	-1.0	-53.56	392.75	3.28	-50.28
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746308	0	39	-1.0	-50.40	334.28	4.54	-45.86
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746308	1	39	-1.0	-50.35	334.34	4.56	-45.79
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746309	0	51	-1.0	-39.38	386.83	6.95	-32.43
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746309	1	51	-1.0	-39.47	386.89	6.98	-32.49
CC(C)(C)N1N=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019746310	0	40	-1.0	-44.72	324.36	2.77	-41.95
CC(C)(C)N1N=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019746310	1	40	-1.0	-44.72	324.30	2.75	-41.97
O=C(CC12CCCCC1C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746311	0	43	-1.0	-51.80	331.77	6.26	-45.54
O=C(CC12CCCCC1C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746311	1	43	-1.0	-51.86	331.83	6.29	-45.57
CC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300019746312	0	39	-1.0	-43.09	326.46	6.20	-36.89
CC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300019746312	1	39	-1.0	-43.12	326.52	6.22	-36.90
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746313	0	49	-1.0	-45.69	362.98	7.45	-38.24
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746313	1	49	-1.0	-45.71	363.04	7.48	-38.23
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746314	0	47	-1.0	-49.79	372.58	6.88	-42.91
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746314	1	47	-1.0	-49.78	372.64	6.91	-42.87
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746315	0	50	-1.0	-49.99	405.94	8.72	-41.27
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746315	1	50	-1.0	-50.02	405.99	8.75	-41.27
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746316	0	36	-1.0	-51.42	311.72	4.74	-46.68
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746316	1	36	-1.0	-51.37	311.67	4.71	-46.66
CC(=O)NC(CCC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746317	0	48	-1.0	-55.82	365.14	4.83	-50.99
CC(=O)NC(CCC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746317	1	48	-1.0	-55.79	365.19	4.85	-50.94
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C#N	REAL300019746318	0	38	-1.0	-38.48	318.37	4.09	-34.39
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C#N	REAL300019746318	1	38	-1.0	-38.51	318.42	4.11	-34.40
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300019746319	0	36	-1.0	-43.47	314.04	5.71	-37.76
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300019746319	1	36	-1.0	-43.48	314.10	5.73	-37.75
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CN2C=C1	REAL300019746320	0	39	-1.0	-49.12	316.58	7.24	-41.88
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CN2C=C1	REAL300019746320	1	39	-1.0	-49.08	316.53	7.21	-41.87
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746321	0	35	-1.0	-38.42	318.40	4.36	-34.06
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746321	1	35	-1.0	-38.44	318.34	4.33	-34.11
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746322	0	38	-1.0	-47.45	315.38	4.94	-42.51
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746322	1	38	-1.0	-47.45	315.32	4.91	-42.54
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746323	0	36	-1.0	-44.21	334.96	5.85	-38.36
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746323	1	36	-1.0	-44.21	334.90	5.83	-38.38
O=C(CCC1=CSC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746324	0	36	-1.0	-45.30	325.47	5.74	-39.56
O=C(CCC1=CSC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746324	1	36	-1.0	-45.33	325.53	5.76	-39.57
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746325	0	39	-1.0	-49.70	327.37	4.52	-45.18
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746325	1	39	-1.0	-49.76	327.31	4.50	-45.26
N#CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300019746326	0	43	-1.0	-56.68	327.47	5.42	-51.26
N#CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300019746326	1	43	-1.0	-56.66	327.53	5.44	-51.22
O=C(C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746327	0	39	-1.0	-50.74	350.39	2.55	-48.19
O=C(C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746327	1	39	-1.0	-50.72	350.45	2.57	-48.15
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746328	0	35	-1.0	-47.21	317.18	4.32	-42.89
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746328	1	35	-1.0	-47.16	317.12	4.30	-42.86
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746329	0	47	-1.0	-50.35	378.54	6.39	-43.96
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746329	1	47	-1.0	-50.32	378.59	6.41	-43.91
O=C(C1=CN=NN1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746330	0	39	-1.0	-44.45	317.54	4.17	-40.28
O=C(C1=CN=NN1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746330	1	39	-1.0	-44.42	317.48	4.14	-40.28
CC(C)C1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCCC2)C=C1	REAL300019746331	0	58	-1.0	-46.75	414.68	9.44	-37.31
CC(C)C1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCCC2)C=C1	REAL300019746331	1	58	-1.0	-46.72	414.74	9.46	-37.26
CC(C)(CC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746332	0	38	-1.0	-51.11	293.49	4.31	-46.80
CC(C)(CC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746332	1	38	-1.0	-51.09	293.54	4.34	-46.75
O=C(C1COCC1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746333	0	44	-1.0	-47.12	332.88	4.71	-42.41
O=C(C1COCC1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746333	1	44	-1.0	-47.17	332.94	4.74	-42.43
CN1N=CC(C2CC2)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746334	0	40	-1.0	-43.73	327.57	4.45	-39.28
CN1N=CC(C2CC2)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746334	1	40	-1.0	-43.76	327.51	4.42	-39.34
CC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)(F)F	REAL300019746335	0	44	-1.0	-46.04	369.42	6.48	-39.56
CC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300019746335	1	44	-1.0	-46.04	369.47	6.50	-39.54
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300019746336	0	52	-1.0	-48.50	403.64	8.35	-40.15
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300019746336	1	52	-1.0	-48.55	403.70	8.38	-40.17
COC1=NOC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746337	0	39	-1.0	-46.67	324.00	1.82	-44.85
COC1=NOC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746337	1	39	-1.0	-46.69	324.05	1.85	-44.84
O=C(C1=C(Cl)C=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746338	0	33	-1.0	-47.30	310.13	5.57	-41.73
O=C(C1=C(Cl)C=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746338	1	33	-1.0	-47.30	310.18	5.59	-41.71
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CC1	REAL300019746339	0	49	-1.0	-42.56	365.16	6.26	-36.30
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CC1	REAL300019746339	1	49	-1.0	-42.54	365.22	6.28	-36.26
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300019746340	0	53	-1.0	-51.89	387.61	7.26	-44.63
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300019746340	1	53	-1.0	-51.87	387.67	7.29	-44.58
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300019746341	0	48	-1.0	-39.40	368.31	7.29	-32.11
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300019746341	1	48	-1.0	-39.41	368.37	7.31	-32.10
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2CCC1C2	REAL300019746342	0	55	-1.0	-43.83	397.07	7.34	-36.49
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2CCC1C2	REAL300019746342	1	55	-1.0	-43.85	397.13	7.37	-36.48
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019746343	0	54	-1.0	-39.58	395.42	7.27	-32.31
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019746343	1	54	-1.0	-39.58	395.47	7.30	-32.28
C=C(C)CC(NC(C)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746344	0	43	-1.0	-55.12	337.64	4.05	-51.07
C=C(C)CC(NC(C)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746344	1	43	-1.0	-55.15	337.70	4.07	-51.08
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1(Br)Br	REAL300019746345	0	33	-1.0	-41.95	299.21	4.62	-37.33
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1(Br)Br	REAL300019746345	1	33	-1.0	-41.97	299.27	4.64	-37.33
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300019746346	0	43	-1.0	-44.20	326.71	4.07	-40.13
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300019746346	1	43	-1.0	-44.18	326.77	4.10	-40.08
CN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300019746347	0	44	-1.0	-44.21	350.40	7.30	-36.91
CN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300019746347	1	44	-1.0	-44.22	350.46	7.32	-36.90
CCCCCC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746348	0	45	-1.0	-42.95	356.63	4.95	-38.00
CCCCCC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746348	1	45	-1.0	-42.98	356.69	4.98	-38.00
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746349	0	43	-1.0	-50.02	338.68	2.84	-47.18
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746349	1	43	-1.0	-50.04	338.74	2.86	-47.18
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCOCC1	REAL300019746350	0	51	-1.0	-47.68	378.34	5.70	-41.98
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCOCC1	REAL300019746350	1	51	-1.0	-47.69	378.40	5.73	-41.96
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746351	0	39	-1.0	-40.66	332.36	5.71	-34.95
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746351	1	39	-1.0	-40.64	332.31	5.69	-34.95
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(NCC(F)(F)F)=N1	REAL300019746352	0	43	-1.0	-44.64	362.87	4.21	-40.43
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(NCC(F)(F)F)=N1	REAL300019746352	1	43	-1.0	-44.66	362.93	4.23	-40.43
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019746353	0	37	-1.0	-37.52	314.55	4.78	-32.74
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019746353	1	37	-1.0	-37.56	314.61	4.81	-32.75
CC1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300019746354	0	51	-1.0	-45.31	366.74	6.79	-38.52
CC1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300019746354	1	51	-1.0	-45.28	366.80	6.81	-38.47
O=C(CN1C=C(C2CC2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746355	0	40	-1.0	-54.63	326.28	4.99	-49.64
O=C(CN1C=C(C2CC2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746355	1	40	-1.0	-54.64	326.22	4.97	-49.67
O=C(C1=CC=CC2=C1COCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746356	0	41	-1.0	-40.15	322.56	4.53	-35.62
O=C(C1=CC=CC2=C1COCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746356	1	41	-1.0	-40.14	322.62	4.55	-35.59
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300019746357	0	42	-1.0	-45.10	346.82	4.46	-40.64
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300019746357	1	42	-1.0	-45.09	346.76	4.43	-40.66
CC1=CC(F)=CC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746358	0	39	-1.0	-43.37	319.66	5.75	-37.62
CC1=CC(F)=CC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746358	1	39	-1.0	-43.34	319.72	5.77	-37.57
CN1N=CC(C2CCC2)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746359	0	43	-1.0	-43.83	344.25	4.95	-38.88
CN1N=CC(C2CCC2)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746359	1	43	-1.0	-43.84	344.19	4.93	-38.91
C[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300019746360	0	49	-1.0	-41.00	371.11	4.54	-36.46
C[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300019746360	1	49	-1.0	-41.03	371.17	4.56	-36.47
COC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300019746361	0	39	-1.0	-43.83	328.73	4.12	-39.71
COC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300019746361	1	39	-1.0	-43.83	328.79	4.15	-39.68
O=C(C(CO)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746362	0	40	-1.0	-39.17	319.90	2.50	-36.67
O=C(C(CO)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746362	1	40	-1.0	-39.22	319.96	2.53	-36.69
O=C(C1CC[N@@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746363	0	46	0.0	-66.31	341.43	6.02	-60.29
O=C(C1CC[N@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746363	1	46	0.0	-66.46	339.93	5.86	-60.60
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746364	0	32	-1.0	-36.22	301.18	4.55	-31.67
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746364	1	32	-1.0	-36.22	301.13	4.52	-31.70
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746365	0	40	-1.0	-50.67	329.40	0.71	-49.96
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746365	1	40	-1.0	-50.66	329.46	0.74	-49.92
O=C(CC1=CN=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746366	0	41	-1.0	-51.18	332.66	5.83	-45.35
O=C(CC1=CN=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746366	1	41	-1.0	-51.17	332.61	5.81	-45.36
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CN1CCOCC1	REAL300019746367	0	46	-1.0	-45.77	351.48	2.18	-43.59
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CN1CCOCC1	REAL300019746367	1	46	-1.0	-45.80	351.54	2.20	-43.60
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746368	0	35	-1.0	-45.15	303.50	-0.49	-45.64
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746368	1	35	-1.0	-45.16	303.56	-0.46	-45.62
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746369	0	36	-1.0	-53.42	310.43	3.56	-49.86
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746369	1	36	-1.0	-53.42	310.49	3.59	-49.83
CN(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300019746370	0	44	-1.0	-39.88	359.01	5.78	-34.10
CN(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300019746370	1	44	-1.0	-39.89	359.07	5.81	-34.08
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746371	0	37	-1.0	-42.79	326.30	5.88	-36.91
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746371	1	37	-1.0	-42.79	326.36	5.90	-36.89
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(SCC(C)C)=N1	REAL300019746372	0	48	-1.0	-49.13	403.63	6.63	-42.50
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(SCC(C)C)=N1	REAL300019746372	1	48	-1.0	-49.07	403.69	6.65	-42.42
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC=C1Br	REAL300019746373	0	40	-1.0	-44.15	339.50	6.02	-38.13
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC=C1Br	REAL300019746373	1	40	-1.0	-44.18	339.56	6.04	-38.14
COC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746374	0	40	-1.0	-44.30	328.86	4.81	-39.49
COC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746374	1	40	-1.0	-44.35	328.91	4.83	-39.52
CC1=NNC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300019746375	0	39	-1.0	-47.29	317.38	3.67	-43.62
CC1=NNC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300019746375	1	39	-1.0	-47.29	317.43	3.70	-43.59
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746376	0	38	-1.0	-51.42	320.86	5.05	-46.37
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746376	1	38	-1.0	-51.40	320.80	5.02	-46.38
NC(=O)N=NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746377	0	39	-1.0	-49.84	331.67	-0.39	-50.23
NC(=O)N=NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746377	1	39	-1.0	-49.85	331.73	-0.36	-50.21
O=C(C1=CNC(=S)N1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746378	0	38	-1.0	-47.83	320.61	4.80	-43.03
O=C(C1=CNC(=S)N1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746378	1	38	-1.0	-47.81	320.67	4.83	-42.98
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746379	0	43	-1.0	-47.88	355.93	4.21	-43.67
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746379	1	43	-1.0	-47.89	355.99	4.24	-43.65
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746380	0	38	-1.0	-45.72	322.12	2.35	-43.37
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746380	1	38	-1.0	-45.73	322.07	2.32	-43.41
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746381	0	43	-1.0	-49.64	370.20	4.73	-44.91
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746381	1	43	-1.0	-49.69	370.26	4.76	-44.93
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746382	0	52	-1.0	-50.87	410.69	7.32	-43.55
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746382	1	52	-1.0	-50.85	410.75	7.35	-43.50
COCCCN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300019746383	0	45	-1.0	-44.99	367.60	2.78	-42.21
COCCCN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300019746383	1	45	-1.0	-44.97	367.66	2.80	-42.17
CC(C)(C)N1C=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019746384	0	42	-1.0	-47.38	351.72	5.47	-41.91
CC(C)(C)N1C=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019746384	1	42	-1.0	-47.38	351.67	5.44	-41.94
O=C(C1=C2C=CSC2=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746385	0	34	-1.0	-40.30	293.06	4.60	-35.70
O=C(C1=C2C=CSC2=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746385	1	34	-1.0	-40.31	293.00	4.58	-35.73
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746386	0	50	-1.0	-39.79	351.94	5.50	-34.29
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746386	1	50	-1.0	-39.81	352.00	5.53	-34.28
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746387	0	35	-1.0	-48.26	296.64	1.94	-46.32
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746387	1	35	-1.0	-48.26	296.58	1.91	-46.35
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746388	0	61	-1.0	-47.75	448.58	6.68	-41.07
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746388	1	61	-1.0	-47.79	448.63	6.71	-41.08
CC(C)(C)OC(=O)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300019746389	0	55	-1.0	-54.42	394.07	5.56	-48.86
CC(C)(C)OC(=O)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300019746389	1	55	-1.0	-54.41	394.13	5.58	-48.83
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019746390	0	47	-1.0	-47.90	374.53	5.91	-41.99
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019746390	1	47	-1.0	-47.87	374.58	5.94	-41.93
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746391	0	52	-1.0	-50.88	411.21	7.34	-43.54
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746391	1	52	-1.0	-50.86	411.27	7.37	-43.49
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746392	0	57	-1.0	-59.46	423.13	6.66	-52.80
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746392	1	57	-1.0	-59.43	423.19	6.69	-52.74
CC1=NN(C(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746393	0	42	-1.0	-46.84	333.54	4.46	-42.38
CC1=NN(C(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746393	1	42	-1.0	-46.81	333.60	4.49	-42.32
O=C(CCCC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746394	0	41	-1.0	-50.90	332.49	5.28	-45.62
O=C(CCCC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746394	1	41	-1.0	-50.96	332.43	5.26	-45.70
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300019746395	0	40	-1.0	-44.60	337.34	4.83	-39.77
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300019746395	1	40	-1.0	-44.65	337.40	4.86	-39.79
CC(C)(C)N1N=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019746396	0	43	-1.0	-54.15	348.03	3.02	-51.13
CC(C)(C)N1N=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019746396	1	43	-1.0	-54.16	348.09	3.05	-51.11
O=C(C1=CC=C2COCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746397	0	41	-1.0	-46.88	324.26	4.55	-42.33
O=C(C1=CC=C2COCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746397	1	41	-1.0	-46.89	324.32	4.57	-42.32
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746398	0	41	-1.0	-43.16	342.29	4.46	-38.70
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746398	1	41	-1.0	-43.22	342.34	4.48	-38.74
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746399	0	36	-1.0	-37.70	324.07	6.36	-31.34
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746399	1	36	-1.0	-37.73	324.13	6.39	-31.34
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746400	0	44	-1.0	-48.16	351.58	6.07	-42.09
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746400	1	44	-1.0	-48.18	351.64	6.09	-42.09
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746401	0	42	-1.0	-49.07	347.53	5.99	-43.08
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746401	1	42	-1.0	-49.07	347.59	6.02	-43.05
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746402	0	52	-1.0	-47.20	396.52	9.25	-37.95
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746402	1	52	-1.0	-47.18	396.58	9.27	-37.91
COCC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746403	0	39	-1.0	-45.67	320.48	2.31	-43.36
COCC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746403	1	39	-1.0	-45.65	320.43	2.29	-43.36
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCCCC1	REAL300019746404	0	42	-1.0	-42.99	311.82	5.20	-37.79
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCCCC1	REAL300019746404	1	42	-1.0	-42.99	311.88	5.23	-37.76
CN(C)C(=O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019746405	0	49	-1.0	-50.29	365.49	4.70	-45.59
CN(C)C(=O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019746405	1	49	-1.0	-50.28	365.55	4.72	-45.56
CC1=C(Br)C=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746406	0	35	-1.0	-41.93	303.66	3.76	-38.17
CC1=C(Br)C=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746406	1	35	-1.0	-41.91	303.72	3.78	-38.13
CC(C)[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300019746407	0	50	-1.0	-62.34	382.15	8.10	-54.24
CC(C)[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300019746407	1	50	-1.0	-62.38	382.21	8.13	-54.25
COC1=CC=C(OC(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746408	0	47	-1.0	-50.35	350.84	4.85	-45.50
COC1=CC=C(OC(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746408	1	47	-1.0	-50.34	350.90	4.87	-45.47
CC(C)CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300019746409	0	48	-1.0	-46.12	385.11	8.23	-37.89
CC(C)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019746409	1	48	-1.0	-46.14	385.16	8.26	-37.88
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746410	0	43	-1.0	-51.53	369.21	4.66	-46.87
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746410	1	43	-1.0	-51.48	369.27	4.69	-46.79
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300019746411	0	46	-1.0	-47.34	365.19	4.70	-42.64
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300019746411	1	46	-1.0	-47.34	365.25	4.72	-42.62
O=C(CC1=C(Cl)C=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746412	0	36	-1.0	-45.86	326.83	6.38	-39.48
O=C(CC1=C(Cl)C=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746412	1	36	-1.0	-45.89	326.89	6.41	-39.48
COC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300019746413	0	40	-1.0	-49.93	337.71	5.21	-44.72
COC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300019746413	1	40	-1.0	-49.92	337.76	5.23	-44.69
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746414	0	43	-1.0	-47.37	342.64	6.19	-41.18
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746414	1	43	-1.0	-47.40	342.69	6.21	-41.19
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300019746415	0	52	-1.0	-45.41	391.22	5.66	-39.75
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300019746415	1	52	-1.0	-45.38	391.28	5.68	-39.70
O=C(CCC1CC1(Cl)Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746416	0	36	-1.0	-47.15	319.21	5.79	-41.36
O=C(CCC1CC1(Cl)Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746416	1	36	-1.0	-47.14	319.26	5.82	-41.32
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746417	0	44	-1.0	-45.07	351.96	3.18	-41.89
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746417	1	44	-1.0	-45.06	352.02	3.20	-41.86
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746418	0	43	-1.0	-46.54	357.22	5.53	-41.01
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746418	1	43	-1.0	-46.52	357.28	5.55	-40.97
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746419	0	46	-1.0	-48.06	359.95	3.33	-44.73
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746419	1	46	-1.0	-48.10	360.01	3.35	-44.75
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746420	0	53	-1.0	-55.39	404.05	5.54	-49.85
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746420	1	53	-1.0	-55.39	404.10	5.56	-49.83
O=C(CC1=CC=C(Br)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746421	0	36	-1.0	-48.60	321.39	6.10	-42.50
O=C(CC1=CC=C(Br)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746421	1	36	-1.0	-48.59	321.44	6.12	-42.47
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746422	0	39	-1.0	-54.92	329.17	4.43	-50.49
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746422	1	39	-1.0	-54.92	329.12	4.41	-50.51
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(N2C=NN=N2)CCOCC1	REAL300019746423	0	42	-1.0	-40.18	320.69	2.54	-37.64
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(N2C=NN=N2)CCOCC1	REAL300019746423	1	42	-1.0	-40.17	320.63	2.51	-37.66
CC(C)N(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019746424	0	52	-1.0	-52.47	393.52	6.05	-46.42
CC(C)N(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019746424	1	52	-1.0	-52.43	393.58	6.08	-46.35
CC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300019746425	0	48	-1.0	-48.98	376.37	6.93	-42.05
CC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300019746425	1	48	-1.0	-49.02	376.42	6.96	-42.06
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746426	0	52	0.0	-73.52	373.85	5.23	-68.29
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746426	1	52	0.0	-72.85	374.52	5.22	-67.63
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746426	1	52	0.0	-73.48	373.79	5.21	-68.27
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746426	1	52	0.0	-72.83	374.46	5.20	-67.63
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300019746427	0	58	0.0	-76.14	430.93	7.12	-69.02
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300019746427	1	58	0.0	-70.00	416.13	6.84	-63.16
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300019746427	1	58	0.0	-76.15	430.87	7.10	-69.05
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300019746427	1	58	0.0	-69.96	416.07	6.81	-63.15
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300019746428	0	45	-1.0	-46.09	365.53	5.02	-41.07
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300019746428	1	45	-1.0	-46.06	365.47	4.99	-41.07
O=C(C1=C2CCCCN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746429	0	41	-1.0	-42.09	320.36	5.79	-36.30
O=C(C1=C2CCCCN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746429	1	41	-1.0	-42.04	320.42	5.82	-36.22
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300019746430	0	46	-1.0	-43.75	371.19	7.64	-36.11
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300019746430	1	46	-1.0	-43.74	371.13	7.62	-36.12
CCNC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300019746431	0	37	-1.0	-38.65	314.07	2.45	-36.20
CCNC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300019746431	1	37	-1.0	-38.62	314.01	2.43	-36.19
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019746432	0	36	-1.0	-39.88	323.20	6.03	-33.85
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019746432	1	36	-1.0	-39.84	323.25	6.05	-33.79
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746433	0	43	-1.0	-46.57	339.09	7.30	-39.27
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746433	1	43	-1.0	-46.62	339.15	7.32	-39.30
O=C(C1CC2=CC=CC=C2CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746434	0	41	-1.0	-48.58	322.50	5.73	-42.85
O=C(C1CC2=CC=CC=C2CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746434	1	41	-1.0	-48.62	322.56	5.75	-42.87
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300019746435	0	46	-1.0	-47.88	343.24	5.55	-42.33
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300019746435	1	46	-1.0	-47.92	343.30	5.57	-42.35
CC1CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300019746436	0	41	-1.0	-45.65	326.94	5.06	-40.59
CC1CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300019746436	1	41	-1.0	-45.66	327.00	5.08	-40.58
O=C(C1CC2(C1)CCCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746437	0	46	-1.0	-46.12	340.04	6.58	-39.54
O=C(C1CC2(C1)CCCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746437	1	46	-1.0	-46.12	340.10	6.61	-39.51
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746438	0	39	-1.0	-45.86	332.28	7.20	-38.66
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746438	1	39	-1.0	-45.86	332.34	7.22	-38.64
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746439	0	39	-1.0	-58.82	342.76	6.24	-52.58
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746439	1	39	-1.0	-58.86	342.71	6.21	-52.65
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CN(C)N=C1	REAL300019746440	0	47	-1.0	-50.73	380.73	6.29	-44.44
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CN(C)N=C1	REAL300019746440	1	47	-1.0	-50.72	380.68	6.26	-44.46
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300019746441	0	42	-1.0	-49.30	366.13	5.81	-43.49
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300019746441	1	42	-1.0	-49.28	366.07	5.79	-43.49
COCC1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746442	0	37	-1.0	-38.33	315.46	3.14	-35.19
COCC1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746442	1	37	-1.0	-38.35	315.51	3.17	-35.18
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746443	0	46	0.0	-67.74	357.94	5.07	-62.67
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746443	1	46	0.0	-67.73	358.00	5.09	-62.64
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746444	0	47	-1.0	-48.69	381.97	5.23	-43.46
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746444	1	47	-1.0	-48.71	381.91	5.20	-43.51
NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Br)=N1	REAL300019746445	0	34	-1.0	-42.95	300.55	1.91	-41.04
NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Br)=N1	REAL300019746445	1	34	-1.0	-42.91	300.49	1.89	-41.02
O=C(C1=NOC2=C1COCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746446	0	37	-1.0	-44.24	298.89	2.60	-41.64
O=C(C1=NOC2=C1COCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746446	1	37	-1.0	-44.25	298.95	2.63	-41.62
CC1=CN2C=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=N1	REAL300019746447	0	39	-1.0	-45.20	323.56	5.78	-39.42
CC1=CN2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=N1	REAL300019746447	1	39	-1.0	-45.20	323.62	5.80	-39.40
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746448	0	47	-1.0	-48.86	382.49	8.79	-40.07
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746448	1	47	-1.0	-48.82	382.54	8.82	-40.00
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300019746449	0	47	-1.0	-65.34	382.41	4.30	-61.04
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300019746449	1	47	-1.0	-65.37	382.47	4.32	-61.05
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746450	0	41	-1.0	-53.29	334.63	3.22	-50.07
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746450	1	41	-1.0	-53.33	334.69	3.24	-50.09
CNC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300019746451	0	38	-1.0	-40.31	308.73	3.26	-37.05
CNC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300019746451	1	38	-1.0	-40.26	308.79	3.29	-36.97
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019746452	0	56	-1.0	-54.79	425.09	3.15	-51.64
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019746452	1	56	-1.0	-54.81	425.15	3.17	-51.64
O=C(C1CCC2C(C1)C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746453	0	40	-1.0	-49.95	312.68	5.59	-44.36
O=C(C1CCC2C(C1)C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746453	1	40	-1.0	-49.95	312.74	5.61	-44.34
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746454	0	44	-1.0	-54.71	350.86	1.31	-53.40
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746454	1	44	-1.0	-54.65	350.92	1.34	-53.31
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300019746455	0	44	-1.0	-53.00	363.18	4.92	-48.08
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300019746455	1	44	-1.0	-53.03	363.24	4.95	-48.08
CC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300019746456	0	39	-1.0	-47.10	331.08	6.53	-40.57
CC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300019746456	1	39	-1.0	-47.10	331.14	6.55	-40.55
O=C(C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)N1CCOCC1	REAL300019746457	0	48	-1.0	-47.65	372.46	3.81	-43.84
O=C(C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)N1CCOCC1	REAL300019746457	1	48	-1.0	-47.67	372.52	3.84	-43.83
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746458	0	42	-1.0	-56.89	347.60	4.87	-52.02
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746458	1	42	-1.0	-56.90	347.54	4.84	-52.06
CC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC=C1Cl	REAL300019746459	0	38	-1.0	-51.96	323.92	4.91	-47.05
CC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC=C1Cl	REAL300019746459	1	38	-1.0	-51.89	323.98	4.94	-46.95
NC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300019746460	0	35	-1.0	-43.47	313.62	3.44	-40.03
NC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300019746460	1	35	-1.0	-43.46	313.67	3.46	-40.00
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300019746461	0	45	-1.0	-46.52	326.99	5.44	-41.08
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300019746461	1	45	-1.0	-46.49	327.05	5.46	-41.03
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746462	0	36	-1.0	-43.49	317.03	3.35	-40.14
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746462	1	36	-1.0	-43.50	316.97	3.32	-40.18
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746463	0	45	-1.0	-49.07	335.76	5.32	-43.75
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746463	1	45	-1.0	-49.04	335.82	5.35	-43.69
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCOCC1	REAL300019746464	0	40	-1.0	-42.81	302.73	2.61	-40.20
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCOCC1	REAL300019746464	1	40	-1.0	-42.83	302.78	2.63	-40.20
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746465	0	36	-1.0	-44.53	321.33	5.88	-38.65
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746465	1	36	-1.0	-44.51	321.39	5.90	-38.61
CSCC[C@H](NC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746466	0	42	-1.0	-58.83	342.26	1.01	-57.82
CSCC[C@H](NC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746466	1	42	-1.0	-58.89	342.32	1.04	-57.85
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019746467	0	46	-1.0	-45.92	353.27	7.77	-38.15
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019746467	1	46	-1.0	-45.94	353.33	7.80	-38.14
CCCCCCCCCCCCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746468	0	68	-1.0	-46.36	493.98	11.41	-34.95
CCCCCCCCCCCCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746468	1	68	-1.0	-46.36	494.04	11.43	-34.93
CCN1C(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019746469	0	43	-1.0	-40.40	349.71	4.23	-36.17
CCN1C(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019746469	1	43	-1.0	-40.38	349.77	4.26	-36.12
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746470	0	44	-1.0	-41.53	354.82	4.90	-36.63
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746470	1	44	-1.0	-41.54	354.88	4.93	-36.61
CC1(C)CCCC(O)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746471	0	46	-1.0	-43.34	331.24	3.25	-40.09
CC1(C)CCCC(O)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746471	1	46	-1.0	-43.33	331.29	3.28	-40.05
COC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019746472	0	44	-1.0	-52.56	343.58	3.55	-49.01
COC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019746472	1	44	-1.0	-52.55	343.63	3.58	-48.97
O=C(CCC1=CC=CN=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746473	0	38	-1.0	-47.82	323.81	4.79	-43.03
O=C(CCC1=CC=CN=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746473	1	38	-1.0	-47.80	323.75	4.77	-43.03
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746474	0	56	-1.0	-53.75	413.96	6.64	-47.11
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746474	1	56	-1.0	-53.79	414.02	6.67	-47.12
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746475	0	45	-1.0	-48.98	382.88	6.62	-42.36
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746475	1	45	-1.0	-48.93	382.82	6.59	-42.34
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746476	0	56	-1.0	-46.10	432.26	3.04	-43.06
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746476	1	56	-1.0	-46.06	432.31	3.07	-42.99
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300019746477	0	52	-1.0	-53.20	415.95	1.96	-51.24
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300019746477	1	52	-1.0	-53.16	415.89	1.94	-51.22
CN1C(=O)CO[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CN=C1	REAL300019746478	0	47	-1.0	-44.99	362.31	2.69	-42.30
CN1C(=O)CO[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CN=C1	REAL300019746478	1	47	-1.0	-45.04	362.25	2.67	-42.37
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746479	0	48	-1.0	-39.65	362.82	5.29	-34.36
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746479	1	48	-1.0	-39.60	362.88	5.32	-34.28
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1(C)C	REAL300019746480	0	51	-1.0	-46.81	387.27	6.83	-39.98
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1(C)C	REAL300019746480	1	51	-1.0	-46.82	387.33	6.85	-39.97
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300019746481	0	54	-1.0	-49.23	403.36	7.52	-41.71
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300019746481	1	54	-1.0	-49.26	403.41	7.55	-41.71
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019746482	0	40	-1.0	-53.36	349.39	1.73	-51.63
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019746482	1	40	-1.0	-53.35	349.45	1.75	-51.60
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746483	0	43	-1.0	-50.16	359.47	6.26	-43.90
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746483	1	43	-1.0	-50.17	359.53	6.28	-43.89
O=C(C1=CC(Br)=CNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746484	0	33	-1.0	-46.07	294.02	2.05	-44.02
O=C(C1=CC(Br)=CNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746484	1	33	-1.0	-46.06	294.08	2.07	-43.99
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300019746485	0	46	-1.0	-50.16	331.90	3.97	-46.19
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300019746485	1	46	-1.0	-50.13	331.96	3.99	-46.14
O=C(C1=CN=C2CCCCCN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746486	0	43	-1.0	-45.64	324.04	4.74	-40.90
O=C(C1=CN=C2CCCCCN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746486	1	43	-1.0	-45.61	324.10	4.76	-40.85
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746487	0	42	-1.0	-42.70	344.59	7.31	-35.39
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746487	1	42	-1.0	-42.70	344.64	7.34	-35.36
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019746488	0	39	-1.0	-45.62	331.22	0.82	-44.80
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019746488	1	39	-1.0	-45.63	331.27	0.85	-44.78
O=C(C1=CC2=CSC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746489	0	33	-1.0	-45.19	297.96	4.81	-40.38
O=C(C1=CC2=CSC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746489	1	33	-1.0	-45.21	298.01	4.83	-40.38
CC1=CC=CC=C1CC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746490	0	45	-1.0	-44.94	346.93	7.03	-37.91
CC1=CC=CC=C1CC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746490	1	45	-1.0	-44.93	346.99	7.06	-37.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(C(F)F)=C1	REAL300019746491	0	36	-1.0	-43.75	303.68	4.45	-39.30
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(C(F)F)=C1	REAL300019746491	1	36	-1.0	-43.77	303.73	4.48	-39.29
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746492	0	41	-1.0	-50.15	337.10	7.67	-42.48
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746492	1	41	-1.0	-50.13	337.15	7.70	-42.43
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746493	0	40	-1.0	-51.78	351.27	7.63	-44.15
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746493	1	40	-1.0	-51.81	351.33	7.65	-44.16
CC1=CC=C2OC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300019746494	0	42	-1.0	-51.30	344.02	6.48	-44.82
CC1=CC=C2OC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300019746494	1	42	-1.0	-51.32	344.08	6.50	-44.82
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019746495	0	40	-1.0	-49.12	327.20	5.32	-43.80
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019746495	1	40	-1.0	-49.11	327.26	5.35	-43.76
CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300019746496	0	45	-1.0	-49.54	367.69	7.74	-41.80
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300019746496	1	45	-1.0	-49.52	367.75	7.77	-41.75
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=NN(C)C=C1	REAL300019746497	0	47	-1.0	-54.64	374.57	6.91	-47.73
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=NN(C)C=C1	REAL300019746497	1	47	-1.0	-54.62	374.52	6.88	-47.74
CC(C)C1=NC=CN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746498	0	42	-1.0	-52.29	337.30	5.29	-47.00
CC(C)C1=NC=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746498	1	42	-1.0	-52.27	337.36	5.31	-46.96
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746498	1	43	0.0	-60.34	335.98	5.91	-54.43
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746499	0	53	-1.0	-44.00	408.74	2.18	-41.82
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746499	1	53	-1.0	-44.03	408.79	2.21	-41.82
O=C(C1CN(C2CCOC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746500	0	43	-1.0	-45.39	332.23	0.52	-44.87
O=C(C1C[NH+](C2CCOC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746500	1	44	0.0	-74.34	336.61	3.54	-70.80
O=C(C1CN(C2CCOC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746500	1	43	-1.0	-45.41	332.29	0.55	-44.86
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746501	0	43	-1.0	-51.15	350.63	7.82	-43.33
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746501	1	43	-1.0	-51.18	350.69	7.84	-43.34
COC1=CC=C([C@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@H](O)C2)C=C1	REAL300019746502	0	48	-1.0	-46.92	368.73	2.42	-44.50
COC1=CC=C([C@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@H](O)C2)C=C1	REAL300019746502	1	48	-1.0	-46.92	368.79	2.45	-44.47
O=C(CN1CSCCSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746503	0	40	-1.0	-47.45	329.33	3.19	-44.26
O=C(CN1CSCCSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746503	1	40	-1.0	-47.45	329.38	3.22	-44.23
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300019746504	0	46	0.0	-77.23	317.79	4.81	-72.42
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC[NH+](CCC1)C2	REAL300019746504	1	46	0.0	-77.25	317.84	4.83	-72.42
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=C(F)C=CC=C1F	REAL300019746505	0	41	-1.0	-48.79	343.55	6.11	-42.68
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=C(F)C=CC=C1F	REAL300019746505	1	41	-1.0	-48.82	343.61	6.14	-42.68
O=C(C1=CN=C2COCCN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746506	0	38	-1.0	-45.82	302.32	2.06	-43.76
O=C(C1=CN=C2COCCN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746506	1	38	-1.0	-45.79	302.38	2.09	-43.70
N#CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300019746507	0	41	-1.0	-55.36	318.94	3.10	-52.26
N#CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300019746507	1	41	-1.0	-55.33	319.00	3.13	-52.20
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746508	0	49	-1.0	-57.01	389.71	5.54	-51.47
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746508	1	49	-1.0	-57.03	389.77	5.56	-51.47
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746509	0	54	-1.0	-61.37	405.42	3.24	-58.13
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746509	1	54	-1.0	-61.35	405.48	3.27	-58.08
O=C(C1CC(=O)NC2CCCCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746510	0	47	-1.0	-54.64	341.41	2.94	-51.70
O=C(C1CC(=O)NC2CCCCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746510	1	47	-1.0	-54.62	341.47	2.96	-51.66
N#CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019746511	0	36	-2.0	-101.76	320.92	-0.13	-101.89
N#CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300019746511	1	36	-2.0	-101.75	320.98	-0.10	-101.85
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746512	0	47	0.0	-70.52	352.68	4.10	-66.42
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746512	1	47	0.0	-70.55	352.73	4.13	-66.42
O=C(CC1=CC=C(Br)C(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746513	0	37	-1.0	-49.87	326.14	3.27	-46.60
O=C(CC1=CC=C(Br)C(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746513	1	37	-1.0	-49.94	326.20	3.30	-46.64
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746514	0	50	-1.0	-51.89	392.23	0.66	-51.23
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746514	1	50	-1.0	-51.88	392.29	0.68	-51.20
N#CC1=CN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019746515	0	39	-2.0	-90.91	341.95	0.38	-90.53
N#CC1=CN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300019746515	1	39	-2.0	-90.93	342.01	0.41	-90.52
COC1=CC=C(CN2CCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746516	0	49	-1.0	-52.44	387.83	3.45	-48.99
COC1=CC=C(CN2CCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746516	1	49	-1.0	-52.45	387.89	3.48	-48.97
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746517	0	44	-1.0	-39.73	346.62	3.36	-36.37
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746517	1	44	-1.0	-39.69	346.56	3.33	-36.36
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746518	0	41	-1.0	-52.08	337.22	1.41	-50.67
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746518	1	41	-1.0	-52.07	337.28	1.43	-50.64
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746518	1	40	-2.0	-111.69	333.45	2.27	-109.42
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746518	1	40	-2.0	-111.65	333.50	2.30	-109.35
CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746519	0	54	-1.0	-61.21	398.53	2.30	-58.91
CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746519	1	54	-1.0	-61.22	398.59	2.32	-58.90
CN(CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746520	0	47	-1.0	-46.63	367.53	5.30	-41.33
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746520	1	48	0.0	-68.55	369.43	7.60	-60.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746520	1	48	0.0	-68.50	369.47	7.61	-60.89
CN(CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746520	1	47	-1.0	-46.65	367.59	5.33	-41.32
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746521	0	52	0.0	-69.19	398.37	3.81	-65.38
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746521	1	52	0.0	-70.57	398.42	3.81	-66.76
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746521	1	52	0.0	-69.21	398.43	3.83	-65.38
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746521	1	52	0.0	-70.55	398.48	3.84	-66.71
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CSCCSC1	REAL300019746522	0	43	-1.0	-47.14	336.24	3.24	-43.90
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CSCCSC1	REAL300019746522	1	43	-1.0	-47.12	336.30	3.27	-43.85
O=C(CCN1CSCCSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746523	0	43	-1.0	-47.08	348.66	3.55	-43.53
O=C(CCN1CSCCSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746523	1	43	-1.0	-47.05	348.71	3.58	-43.47
NC(=O)C1=CN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC1=O	REAL300019746524	0	43	-1.0	-50.54	357.13	-1.17	-51.71
NC(=O)C1=CN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC1=O	REAL300019746524	1	43	-1.0	-50.51	357.19	-1.14	-51.65
O=C(C1CC2=C(Cl)C=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746525	0	37	-1.0	-46.41	314.84	6.38	-40.03
O=C(C1CC2=C(Cl)C=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746525	1	37	-1.0	-46.45	314.90	6.41	-40.04
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746526	0	38	-1.0	-51.93	325.67	4.43	-47.50
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746526	1	38	-1.0	-51.95	325.73	4.46	-47.49
O=C(C1CCC2=CC=CC=C2CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746527	0	46	-1.0	-47.87	348.57	7.44	-40.43
O=C(C1CCC2=CC=CC=C2CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746527	1	46	-1.0	-47.89	348.63	7.47	-40.42
O=C(CC(C1CCC1)C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746528	0	49	-1.0	-46.38	359.37	7.65	-38.73
O=C(CC(C1CCC1)C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746528	1	49	-1.0	-46.40	359.43	7.67	-38.73
CC1=CC=C(COC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746529	0	46	-1.0	-39.32	367.09	7.01	-32.31
CC1=CC=C(COC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746529	1	46	-1.0	-39.28	367.15	7.03	-32.25
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746530	0	36	-1.0	-37.58	328.63	6.48	-31.10
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746530	1	36	-1.0	-37.65	328.69	6.50	-31.15
O=C(C1C2CCCCCCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746531	0	46	-1.0	-46.13	334.82	6.63	-39.50
O=C(C1C2CCCCCCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746531	1	46	-1.0	-46.12	334.88	6.66	-39.46
O=C(C1CCC(C2CC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746532	0	46	-1.0	-45.73	346.19	6.92	-38.81
O=C(C1CCC(C2CC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746532	1	46	-1.0	-45.72	346.25	6.94	-38.78
O=C(C1=C2SC=CC2=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746533	0	34	-1.0	-41.86	296.89	4.47	-37.39
O=C(C1=C2SC=CC2=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746533	1	34	-1.0	-41.84	296.84	4.44	-37.40
CCCCCCCCC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746534	0	53	-1.0	-45.85	401.61	8.30	-37.55
CCCCCCCCC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746534	1	53	-1.0	-45.84	401.67	8.33	-37.51
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019746535	0	50	-1.0	-47.29	390.00	4.00	-43.29
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019746535	1	50	-1.0	-47.28	390.05	4.03	-43.25
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746536	0	56	-1.0	-58.75	417.43	6.41	-52.34
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746536	1	56	-1.0	-58.73	417.49	6.42	-52.31
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746537	0	42	-1.0	-56.14	343.26	4.81	-51.33
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746537	1	42	-1.0	-56.13	343.20	4.79	-51.34
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746538	0	42	-1.0	-56.14	343.26	4.81	-51.33
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746538	1	42	-1.0	-56.13	343.20	4.79	-51.34
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300019746539	0	57	-1.0	-52.58	429.37	6.22	-46.36
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300019746539	1	57	-1.0	-52.50	429.43	6.24	-46.26
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746540	0	46	-1.0	-47.68	360.08	6.57	-41.11
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746540	1	46	-1.0	-47.71	360.13	6.59	-41.12
O=C(C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746541	0	46	-1.0	-47.71	378.40	9.06	-38.65
O=C(C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746541	1	46	-1.0	-47.75	378.46	9.09	-38.66
O=C(C1CCC2CCCC[N@@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746542	0	46	0.0	-59.48	334.60	5.93	-53.55
O=C(C1CCC2CCCC[N@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746542	1	46	0.0	-61.20	329.99	5.63	-55.57
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746543	0	44	-1.0	-56.84	370.62	5.23	-51.61
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746543	1	44	-1.0	-56.88	370.56	5.21	-51.67
COC1=CC=C(CNC(=O)C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746544	0	48	-1.0	-46.38	396.34	3.71	-42.67
COC1=CC=C(CNC(=O)C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746544	1	48	-1.0	-46.39	396.40	3.74	-42.65
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746545	0	57	0.0	-73.78	416.55	7.12	-66.66
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746545	1	57	0.0	-75.11	419.94	6.96	-68.15
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746545	1	57	0.0	-73.80	416.61	7.14	-66.66
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746545	1	57	0.0	-75.12	420.00	6.98	-68.14
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746546	0	55	-1.0	-45.64	413.11	4.29	-41.35
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746546	1	55	-1.0	-45.62	413.16	4.32	-41.30
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=NC=CS1	REAL300019746547	0	38	-1.0	-43.96	303.11	3.19	-40.77
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=NC=CS1	REAL300019746547	1	38	-1.0	-43.97	303.06	3.16	-40.81
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746548	0	37	-1.0	-46.79	334.47	6.46	-40.33
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746548	1	37	-1.0	-46.81	334.53	6.48	-40.33
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746549	0	41	-1.0	-47.83	343.76	5.58	-42.25
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746549	1	41	-1.0	-47.82	343.81	5.61	-42.21
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746550	0	37	-1.0	-41.66	332.39	4.79	-36.87
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746550	1	37	-1.0	-41.66	332.45	4.81	-36.85
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300019746551	0	37	-1.0	-44.53	319.77	4.39	-40.14
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300019746551	1	37	-1.0	-44.49	319.83	4.41	-40.08
O=C(C1C2CC3=CC=CC=C3C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746552	0	41	-1.0	-44.69	328.18	7.30	-37.39
O=C(C1C2CC3=CC=CC=C3C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746552	1	41	-1.0	-44.68	328.23	7.32	-37.36
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)(F)F	REAL300019746553	0	40	-1.0	-42.93	336.45	4.98	-37.95
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300019746553	1	40	-1.0	-42.96	336.51	5.01	-37.95
O=C(C1COC2=CC(F)=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746554	0	41	-1.0	-44.31	331.46	5.23	-39.08
O=C(C1COC2=CC(F)=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746554	1	41	-1.0	-44.27	331.52	5.25	-39.02
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(S(C)(=O)=O)O1	REAL300019746555	0	39	-1.0	-53.37	335.40	0.92	-52.45
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(S(C)(=O)=O)O1	REAL300019746555	1	39	-1.0	-53.40	335.45	0.94	-52.46
CC1=CC=CC=C1COC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746556	0	46	-1.0	-51.79	360.55	6.99	-44.80
CC1=CC=CC=C1COC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746556	1	46	-1.0	-51.82	360.61	7.02	-44.80
CSC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019746557	0	37	-1.0	-42.97	315.11	4.66	-38.31
CSC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019746557	1	37	-1.0	-42.94	315.16	4.69	-38.25
COC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300019746558	0	46	-1.0	-42.31	357.12	5.82	-36.49
COC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300019746558	1	46	-1.0	-42.36	357.18	5.84	-36.52
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746559	0	42	-1.0	-47.26	327.77	5.66	-41.60
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746559	1	42	-1.0	-47.21	327.83	5.69	-41.52
O=C(C1=CSC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746560	0	33	-1.0	-37.80	299.96	4.54	-33.26
O=C(C1=CSC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746560	1	33	-1.0	-37.81	300.02	4.57	-33.24
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746561	0	46	-1.0	-46.96	351.55	7.64	-39.32
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746561	1	46	-1.0	-46.98	351.61	7.66	-39.32
COCCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746562	0	43	-1.0	-51.96	348.94	2.87	-49.09
COCCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746562	1	43	-1.0	-51.99	348.88	2.85	-49.14
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1CCOCC1	REAL300019746563	0	47	-1.0	-48.73	366.73	4.35	-44.38
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1CCOCC1	REAL300019746563	1	47	-1.0	-48.68	366.79	4.37	-44.31
CN1C=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=N1	REAL300019746564	0	44	-1.0	-57.16	350.27	3.33	-53.83
CN1C=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=N1	REAL300019746564	1	44	-1.0	-57.16	350.22	3.31	-53.85
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=NC=C1	REAL300019746565	0	41	-1.0	-46.36	324.82	4.94	-41.42
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=NC=C1	REAL300019746565	1	41	-1.0	-46.36	324.88	4.96	-41.40
O=C(C1=C2C=CSC2=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746566	0	35	-1.0	-45.23	301.60	3.92	-41.31
O=C(C1=C2C=CSC2=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746566	1	35	-1.0	-45.22	301.54	3.90	-41.32
CCOC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300019746567	0	44	-1.0	-42.61	323.78	2.43	-40.18
CCOC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300019746567	1	44	-1.0	-42.63	323.83	2.45	-40.18
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746568	0	40	-1.0	-51.05	350.54	6.76	-44.29
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746568	1	40	-1.0	-51.01	350.60	6.79	-44.22
COC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300019746569	0	43	-1.0	-46.22	362.73	6.02	-40.20
COC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300019746569	1	43	-1.0	-46.26	362.78	6.04	-40.22
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746570	0	42	-1.0	-51.42	346.58	4.83	-46.59
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746570	1	42	-1.0	-51.50	346.52	4.80	-46.70
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746571	0	39	-1.0	-37.30	345.46	6.76	-30.54
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746571	1	39	-1.0	-37.33	345.52	6.78	-30.55
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746572	0	47	-1.0	-43.63	397.54	7.98	-35.65
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746572	1	47	-1.0	-43.65	397.60	8.01	-35.64
O=C(C1=C(Br)N=C2COCCN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746573	0	38	-1.0	-46.34	330.95	2.79	-43.55
O=C(C1=C(Br)N=C2COCCN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746573	1	38	-1.0	-46.34	331.01	2.81	-43.53
CC1=CC=CC=C1COCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746574	0	43	-1.0	-52.17	345.35	6.55	-45.62
CC1=CC=CC=C1COCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746574	1	43	-1.0	-52.19	345.41	6.58	-45.61
CC1=CC=CC(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746575	0	43	-1.0	-51.35	350.58	6.53	-44.82
CC1=CC=CC(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746575	1	43	-1.0	-51.36	350.64	6.55	-44.81
O=C(C1=C2SC=CC2=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746576	0	35	-1.0	-43.18	301.90	4.75	-38.43
O=C(C1=C2SC=CC2=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746576	1	35	-1.0	-43.19	301.84	4.72	-38.47
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746577	0	44	-1.0	-47.69	358.41	5.67	-42.02
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746577	1	44	-1.0	-47.66	358.47	5.69	-41.97
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746578	0	42	-1.0	-64.44	324.67	3.89	-60.55
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746578	1	42	-1.0	-64.39	324.72	3.92	-60.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746579	0	39	-2.0	-94.29	339.32	0.57	-93.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746579	1	39	-2.0	-94.28	339.26	0.55	-93.73
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746579	1	40	-1.0	-53.40	338.77	0.69	-52.71
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746579	1	40	-1.0	-53.43	338.71	0.67	-52.76
O=C(CN1C=CC(C(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746580	0	36	-1.0	-55.29	309.95	3.65	-51.64
O=C(CN1C=CC(C(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746580	1	36	-1.0	-55.26	310.01	3.67	-51.59
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746581	0	39	-1.0	-47.90	324.52	3.72	-44.18
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746581	1	39	-1.0	-47.90	324.58	3.75	-44.15
CC1=CN2C=CN=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746582	0	39	-1.0	-56.00	322.68	5.86	-50.14
CC1=CN2C=CN=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746582	1	39	-1.0	-56.01	322.74	5.88	-50.13
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746583	0	36	-1.0	-46.30	324.71	4.68	-41.62
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746583	1	36	-1.0	-46.29	324.66	4.65	-41.64
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746584	0	44	-1.0	-42.54	347.96	3.75	-38.79
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746584	1	44	-1.0	-42.51	347.90	3.72	-38.79
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746585	0	39	-1.0	-46.73	357.10	6.64	-40.09
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746585	1	39	-1.0	-46.76	357.04	6.62	-40.14
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746586	0	50	-1.0	-54.57	386.18	3.43	-51.14
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746586	1	50	-1.0	-54.60	386.24	3.46	-51.14
CC1=CC=C(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746587	0	43	-1.0	-51.35	350.58	6.54	-44.81
CC1=CC=C(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746587	1	43	-1.0	-51.38	350.64	6.56	-44.82
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746588	0	36	-1.0	-44.63	316.38	3.71	-40.92
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746588	1	36	-1.0	-44.63	316.44	3.74	-40.89
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746589	0	36	-1.0	-50.21	306.37	5.32	-44.89
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746589	1	36	-1.0	-50.22	306.43	5.35	-44.87
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746590	0	47	-1.0	-49.85	364.32	5.41	-44.44
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746590	1	47	-1.0	-49.91	364.38	5.44	-44.47
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746591	0	40	-1.0	-48.24	337.37	5.61	-42.63
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746591	1	40	-1.0	-48.28	337.32	5.58	-42.70
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746592	0	35	-1.0	-42.42	317.18	4.43	-37.99
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746592	1	35	-1.0	-42.41	317.12	4.41	-38.00
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746593	0	61	0.0	-78.59	450.62	10.00	-68.59
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746593	1	61	0.0	-75.78	443.83	9.88	-65.90
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746593	1	61	0.0	-78.61	450.67	10.02	-68.59
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746593	1	61	0.0	-75.74	443.88	9.91	-65.83
COC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1O	REAL300019746594	0	48	-1.0	-49.09	385.57	3.27	-45.82
COC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1O	REAL300019746594	1	48	-1.0	-49.08	385.63	3.29	-45.79
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746595	0	43	-1.0	-48.55	352.38	4.69	-43.86
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746595	1	43	-1.0	-48.55	352.44	4.72	-43.83
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300019746596	0	40	-1.0	-47.40	316.96	4.41	-42.99
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300019746596	1	40	-1.0	-47.43	317.01	4.44	-42.99
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746597	0	49	-1.0	-46.76	387.63	8.01	-38.75
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746597	1	49	-1.0	-46.82	387.68	8.03	-38.79
CCC1=CNC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746598	0	39	-1.0	-59.67	321.31	2.93	-56.74
CCC1=CNC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746598	1	39	-1.0	-59.67	321.37	2.95	-56.72
O=C(C(O)CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746599	0	40	-1.0	-45.98	320.79	3.87	-42.11
O=C(C(O)CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746599	1	40	-1.0	-45.93	320.84	3.90	-42.03
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746600	0	58	0.0	-74.78	433.58	9.49	-65.29
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746600	1	58	0.0	-74.50	435.94	9.63	-64.87
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746600	1	58	0.0	-74.79	433.64	9.52	-65.27
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746600	1	58	0.0	-74.53	436.00	9.66	-64.87
CC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300019746601	0	36	-1.0	-49.26	308.21	5.37	-43.89
CC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300019746601	1	36	-1.0	-49.26	308.27	5.40	-43.86
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746602	0	43	-1.0	-37.15	361.47	4.82	-32.33
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746602	1	43	-1.0	-37.13	361.42	4.80	-32.33
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746603	0	45	-1.0	-46.52	348.37	4.95	-41.57
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746603	1	45	-1.0	-46.52	348.43	4.97	-41.55
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1OC(C)C	REAL300019746604	0	47	-1.0	-51.98	367.58	6.04	-45.94
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1OC(C)C	REAL300019746604	1	47	-1.0	-52.01	367.64	6.06	-45.95
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746605	0	36	-1.0	-47.64	320.35	4.74	-42.90
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746605	1	36	-1.0	-47.61	320.29	4.71	-42.90
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746606	0	43	-1.0	-48.58	362.34	4.76	-43.82
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746606	1	43	-1.0	-48.58	362.28	4.73	-43.85
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746607	0	44	-1.0	-50.23	355.32	4.90	-45.33
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746607	1	44	-1.0	-50.23	355.37	4.93	-45.30
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746608	0	44	-1.0	-48.59	355.03	4.88	-43.71
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746608	1	44	-1.0	-48.59	355.09	4.90	-43.69
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746609	0	37	-1.0	-47.04	308.98	2.17	-44.87
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746609	1	37	-1.0	-47.02	309.04	2.20	-44.82
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746610	0	39	-1.0	-44.62	342.81	6.17	-38.45
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746610	1	39	-1.0	-44.60	342.76	6.14	-38.46
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCC(C4=N[N-]N=N4)C3)[C@@H]2C1	REAL300019746611	0	54	-1.0	-46.63	408.95	5.99	-40.64
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCC(C4=NN=N[N-]4)C3)[C@@H]2C1	REAL300019746611	1	54	-1.0	-46.63	409.01	6.01	-40.62
COC(=O)C=CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019746612	0	40	-1.0	-45.03	341.93	4.97	-40.06
COC(=O)C=CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019746612	1	40	-1.0	-45.10	341.99	5.00	-40.10
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746613	0	49	-1.0	-38.08	379.56	8.26	-29.82
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746613	1	49	-1.0	-38.11	379.62	8.28	-29.83
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746614	0	33	-1.0	-47.68	302.15	5.13	-42.55
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746614	1	33	-1.0	-47.71	302.20	5.15	-42.56
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746615	0	59	-1.0	-47.90	439.92	7.09	-40.81
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746615	1	59	-1.0	-47.88	439.98	7.11	-40.77
CCN1N=CC(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746616	0	36	-1.0	-42.99	314.96	3.70	-39.29
CCN1N=CC(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746616	1	36	-1.0	-42.99	314.90	3.68	-39.31
COC(=O)C1=C(C)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019746617	0	39	-1.0	-39.92	325.97	4.08	-35.84
COC(=O)C1=C(C)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019746617	1	39	-1.0	-39.94	326.03	4.10	-35.84
COC(=O)C1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300019746618	0	39	-1.0	-55.96	331.72	3.56	-52.40
COC(=O)C1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300019746618	1	39	-1.0	-55.93	331.66	3.53	-52.40
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746619	0	58	-1.0	-43.00	431.66	4.76	-38.24
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746619	1	58	-1.0	-43.04	431.72	4.79	-38.25
C[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300019746620	0	49	-1.0	-54.19	380.52	3.50	-50.69
C[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300019746620	1	49	-1.0	-54.21	380.58	3.53	-50.68
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746621	0	51	-1.0	-49.51	391.83	3.87	-45.64
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746621	1	51	-1.0	-49.53	391.89	3.90	-45.63
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CO2)=N1	REAL300019746622	0	40	-1.0	-54.68	335.33	4.55	-50.13
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CO2)=N1	REAL300019746622	1	40	-1.0	-54.71	335.28	4.52	-50.19
NC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019746623	0	38	-1.0	-48.14	326.03	1.01	-47.13
NC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019746623	1	38	-1.0	-48.08	326.09	1.03	-47.05
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(S(N)(=O)=O)=C1	REAL300019746624	0	38	-1.0	-46.46	325.64	-1.67	-48.13
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(S(N)(=O)=O)=C1	REAL300019746624	1	38	-1.0	-46.50	325.70	-1.64	-48.14
CSC1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746625	0	38	-1.0	-48.23	321.18	2.90	-45.33
CSC1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746625	1	38	-1.0	-48.21	321.24	2.92	-45.29
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746626	0	57	-1.0	-52.96	420.51	4.68	-48.28
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746626	1	57	-1.0	-52.98	420.57	4.71	-48.27
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746627	0	51	-1.0	-57.80	388.46	6.49	-51.31
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746627	1	51	-1.0	-57.85	388.52	6.52	-51.33
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019746628	0	43	-1.0	-44.72	357.27	5.37	-39.35
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019746628	1	43	-1.0	-44.76	357.21	5.34	-39.42
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019746629	0	52	-1.0	-47.50	364.97	8.08	-39.42
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019746629	1	52	-1.0	-47.51	365.03	8.10	-39.41
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746630	0	37	-1.0	-43.59	315.67	2.97	-40.62
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746630	1	37	-1.0	-43.58	315.72	3.00	-40.58
CC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1	REAL300019746631	0	50	-1.0	-51.03	400.65	9.42	-41.61
CC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1	REAL300019746631	1	50	-1.0	-51.01	400.71	9.45	-41.56
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCCC(C5=NN=N[N-]5)C4)=CC=C32)=C1	REAL300019746632	0	49	-1.0	-43.24	398.66	9.75	-33.49
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCCC(C5=N[N-]N=N5)C4)=CC=C32)=C1	REAL300019746632	1	49	-1.0	-43.21	398.60	9.73	-33.48
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C21	REAL300019746633	0	41	-1.0	-41.90	346.20	3.92	-37.98
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C21	REAL300019746633	1	41	-1.0	-41.92	346.14	3.89	-38.03
O=C(C1CCC2=CC(F)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746634	0	40	-1.0	-48.24	323.11	6.45	-41.79
O=C(C1CCC2=CC(F)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746634	1	40	-1.0	-48.26	323.17	6.48	-41.78
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300019746635	0	46	-1.0	-47.24	360.49	7.96	-39.28
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300019746635	1	46	-1.0	-47.21	360.54	7.99	-39.22
CCOCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746636	0	43	-1.0	-48.59	349.30	3.06	-45.53
CCOCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746636	1	43	-1.0	-48.58	349.24	3.03	-45.55
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746637	0	44	-1.0	-44.68	358.80	6.15	-38.53
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746637	1	44	-1.0	-44.64	358.86	6.18	-38.46
O=C(C1=C(C(F)(F)F)SC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746638	0	33	-1.0	-49.42	298.50	4.51	-44.91
O=C(C1=C(C(F)(F)F)SC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746638	1	33	-1.0	-49.40	298.56	4.53	-44.87
CC1=NN(C2CCOCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746639	0	47	-1.0	-44.46	363.18	3.81	-40.65
CC1=NN(C2CCOCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746639	1	47	-1.0	-44.47	363.24	3.84	-40.63
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746640	0	52	-1.0	-46.03	387.10	1.93	-44.10
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746640	1	52	-1.0	-46.02	387.16	1.96	-44.06
CN1N=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300019746641	0	33	-1.0	-44.45	310.56	3.22	-41.23
CN1N=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300019746641	1	33	-1.0	-44.45	310.51	3.20	-41.25
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746642	0	42	-1.0	-50.98	357.88	6.24	-44.74
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746642	1	42	-1.0	-51.02	357.83	6.21	-44.81
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746643	0	49	-1.0	-47.05	369.98	8.82	-38.23
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746643	1	49	-1.0	-47.09	370.03	8.84	-38.25
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746644	0	46	-1.0	-46.16	370.15	6.86	-39.30
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746644	1	46	-1.0	-46.15	370.10	6.84	-39.31
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCC2)CCNC1=O	REAL300019746645	0	47	-1.0	-56.47	341.96	2.29	-54.18
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCC2)CCNC1=O	REAL300019746645	1	47	-1.0	-56.47	342.01	2.31	-54.16
CCOC1=CC=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746646	0	44	-1.0	-38.38	354.83	6.15	-32.23
CCOC1=CC=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746646	1	44	-1.0	-38.40	354.89	6.18	-32.22
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746647	0	41	-1.0	-48.01	332.88	5.24	-42.77
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746647	1	41	-1.0	-48.03	332.94	5.27	-42.76
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746648	0	36	-1.0	-48.46	317.26	6.00	-42.46
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746648	1	36	-1.0	-48.43	317.32	6.02	-42.41
CC1(C)CC1(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300019746649	0	46	-1.0	-46.57	353.18	7.37	-39.20
CC1(C)CC1(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019746649	1	46	-1.0	-46.58	353.24	7.40	-39.18
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746650	0	40	-1.0	-47.28	347.16	5.65	-41.63
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746650	1	40	-1.0	-47.30	347.22	5.68	-41.62
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300019746651	0	37	-1.0	-44.06	312.08	5.78	-38.28
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300019746651	1	37	-1.0	-44.04	312.14	5.81	-38.23
O=C(C1=CSC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746652	0	33	-1.0	-38.53	297.29	4.49	-34.04
O=C(C1=CSC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746652	1	33	-1.0	-38.53	297.34	4.52	-34.01
CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300019746653	0	45	-1.0	-46.81	367.63	7.74	-39.07
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019746653	1	45	-1.0	-46.80	367.69	7.77	-39.03
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746654	0	50	-1.0	-47.29	393.00	4.48	-42.81
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746654	1	50	-1.0	-47.27	393.06	4.51	-42.76
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746655	0	43	-1.0	-50.77	343.33	3.29	-47.48
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746655	1	43	-1.0	-50.75	343.27	3.26	-47.49
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746656	0	39	-1.0	-54.53	328.69	1.05	-53.48
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746656	1	39	-1.0	-54.52	328.74	1.08	-53.44
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCCC1	REAL300019746657	0	57	-1.0	-46.10	384.85	7.48	-38.62
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCCC1	REAL300019746657	1	57	-1.0	-46.13	384.91	7.51	-38.62
CCOCCOCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746658	0	46	-1.0	-51.67	367.16	3.49	-48.18
CCOCCOCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746658	1	46	-1.0	-51.65	367.22	3.51	-48.14
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746659	0	41	-1.0	-51.03	349.14	3.78	-47.25
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746659	1	41	-1.0	-50.96	349.20	3.80	-47.16
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019746660	0	42	-1.0	-40.77	356.15	5.01	-35.76
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019746660	1	42	-1.0	-40.82	356.21	5.03	-35.79
COC1=CC=CC(C(OC)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746661	0	44	-1.0	-48.28	350.93	4.57	-43.71
COC1=CC=CC(C(OC)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746661	1	44	-1.0	-48.32	350.99	4.60	-43.72
COCCOCCOCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746662	0	50	-1.0	-53.06	400.79	2.85	-50.21
COCCOCCOCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746662	1	50	-1.0	-53.07	400.85	2.87	-50.20
COC1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1OC	REAL300019746663	0	47	-1.0	-42.07	374.56	5.92	-36.15
COC1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1OC	REAL300019746663	1	47	-1.0	-42.12	374.62	5.95	-36.17
CSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300019746664	0	37	-1.0	-43.65	316.51	4.56	-39.09
CSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300019746664	1	37	-1.0	-43.63	316.57	4.59	-39.04
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746665	0	45	-1.0	-62.44	344.91	3.60	-58.84
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746665	1	45	-1.0	-62.49	344.85	3.57	-58.92
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019746666	0	46	-2.0	-110.19	381.10	5.34	-104.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019746666	1	46	-2.0	-110.15	381.16	5.37	-104.78
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746667	0	40	-1.0	-58.40	332.52	0.34	-58.06
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746667	1	40	-1.0	-58.35	332.58	0.36	-57.99
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(N2C=CC=C2)S1	REAL300019746668	0	41	-1.0	-49.06	341.60	7.06	-42.00
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(N2C=CC=C2)S1	REAL300019746668	1	41	-1.0	-49.06	341.66	7.09	-41.97
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746669	0	39	-2.0	-102.55	325.65	4.16	-98.39
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746669	1	39	-2.0	-102.53	325.59	4.13	-98.40
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746669	1	39	-2.0	-102.78	325.80	4.23	-98.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746669	1	39	-2.0	-102.79	325.75	4.21	-98.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746670	0	36	-2.0	-85.52	310.41	1.90	-83.62
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746670	1	36	-2.0	-85.55	310.36	1.87	-83.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746670	1	36	-2.0	-85.52	310.48	1.91	-83.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746670	1	36	-2.0	-85.51	310.42	1.88	-83.63
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746671	0	45	-1.0	-58.97	380.11	4.52	-54.45
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746671	1	45	-1.0	-59.02	380.05	4.49	-54.53
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746672	0	39	-1.0	-44.09	356.15	2.35	-41.74
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746672	1	39	-1.0	-44.07	356.10	2.33	-41.74
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746673	0	33	-1.0	-44.76	287.84	2.27	-42.49
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746673	1	33	-1.0	-44.78	287.90	2.30	-42.48
O=C(CC1=CC(C2CC2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746674	0	39	-1.0	-52.36	321.80	5.12	-47.24
O=C(CC1=CC(C2CC2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746674	1	39	-1.0	-52.35	321.85	5.15	-47.20
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746675	0	39	-2.0	-93.45	328.73	-0.04	-93.49
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746675	1	39	-2.0	-93.47	328.79	-0.02	-93.49
CN1C=CC(NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300019746676	0	45	-1.0	-50.25	361.93	5.42	-44.83
CN1C=CC(NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300019746676	1	45	-1.0	-50.21	361.88	5.39	-44.82
CC1=NOC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300019746677	0	39	-1.0	-42.78	320.90	4.71	-38.07
CC1=NOC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300019746677	1	39	-1.0	-42.76	320.95	4.73	-38.03
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746678	0	47	-1.0	-48.12	366.40	4.52	-43.60
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746678	1	47	-1.0	-48.12	366.46	4.54	-43.58
O=C(C1CCCC2CCC[N@@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746679	0	46	0.0	-61.82	322.70	5.24	-56.58
O=C(C1CCCC2CCC[N@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746679	1	46	0.0	-63.36	325.80	5.61	-57.75
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)(C)C1(C)C	REAL300019746680	0	57	-1.0	-44.02	406.57	7.25	-36.77
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)(C)C1(C)C	REAL300019746680	1	57	-1.0	-44.05	406.63	7.28	-36.77
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746681	0	44	-1.0	-49.15	345.23	2.57	-46.58
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746681	1	44	-1.0	-49.13	345.28	2.59	-46.54
CN1C=NC2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C21	REAL300019746682	0	38	-1.0	-45.50	308.38	3.77	-41.73
CN1C=NC2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C21	REAL300019746682	1	38	-1.0	-45.54	308.44	3.80	-41.74
O=C(C1CCCN1C1=NC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746683	0	43	-1.0	-54.17	340.37	4.80	-49.37
O=C(C1CCCN1C1=NC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746683	1	43	-1.0	-54.20	340.31	4.77	-49.43
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(I)=NN1	REAL300019746684	0	33	-1.0	-45.38	304.05	2.56	-42.82
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(I)=NN1	REAL300019746684	1	33	-1.0	-45.40	304.11	2.59	-42.81
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746685	0	42	-1.0	-50.82	340.85	5.55	-45.27
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746685	1	42	-1.0	-50.85	340.90	5.57	-45.28
O=C(CCC1=NN=C(C2CC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746686	0	41	-1.0	-48.03	339.57	0.82	-47.21
O=C(CCC1=NN=C(C2CC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746686	1	41	-1.0	-48.04	339.62	0.84	-47.20
CC(C)N1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CCOCC2)=N1	REAL300019746687	0	53	-1.0	-48.17	407.95	4.96	-43.21
CC(C)N1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CCOCC2)=N1	REAL300019746687	1	53	-1.0	-48.15	408.01	4.99	-43.16
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746688	0	51	-1.0	-48.96	400.67	1.09	-47.87
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746688	1	51	-1.0	-48.95	400.72	1.11	-47.84
CC(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300019746689	0	39	-1.0	-50.90	320.20	2.96	-47.94
CC(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300019746689	1	39	-1.0	-50.93	320.14	2.94	-47.99
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746690	0	53	-1.0	-45.44	398.96	6.92	-38.52
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746690	1	53	-1.0	-45.43	399.01	6.94	-38.49
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746691	0	42	-1.0	-50.46	347.49	7.49	-42.97
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746691	1	42	-1.0	-50.48	347.44	7.46	-43.02
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746692	0	36	-1.0	-45.15	300.97	5.85	-39.30
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746692	1	36	-1.0	-45.11	300.92	5.82	-39.29
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746693	0	40	-1.0	-50.91	347.94	6.11	-44.80
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746693	1	40	-1.0	-50.91	348.00	6.14	-44.77
O=C(C=CC=C(Cl)Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746694	0	31	-1.0	-35.68	290.29	4.67	-31.01
O=C(C=CC=C(Cl)Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746694	1	31	-1.0	-35.73	290.35	4.69	-31.04
CN1CCCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300019746695	0	43	-1.0	-39.62	312.44	3.84	-35.78
CN1CCCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300019746695	1	43	-1.0	-39.60	312.50	3.87	-35.73
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746696	0	41	-1.0	-50.79	344.36	4.59	-46.20
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746696	1	41	-1.0	-50.72	344.41	4.62	-46.10
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746697	0	44	-1.0	-53.19	341.73	0.64	-52.55
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746697	1	44	-1.0	-53.14	341.79	0.67	-52.47
NC1=C2N=CN(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300019746698	0	42	-1.0	-49.60	348.16	4.80	-44.80
NC1=C2N=CN(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300019746698	1	42	-1.0	-49.62	348.21	4.82	-44.80
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746699	0	38	-1.0	-47.38	328.37	0.87	-46.51
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746699	1	38	-1.0	-47.38	328.43	0.90	-46.48
O=C(C1=CNN=C1I)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746700	0	30	-1.0	-48.56	278.78	1.81	-46.75
O=C(C1=CNN=C1I)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746700	1	30	-1.0	-48.58	278.84	1.83	-46.75
O=C(CC=CCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746701	0	43	-1.0	-48.33	350.28	7.66	-40.67
O=C(CC=CCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746701	1	43	-1.0	-48.37	350.33	7.68	-40.69
CC1=CC=C(NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CS2)C=C1	REAL300019746702	0	44	-1.0	-47.73	363.30	5.85	-41.88
CC1=CC=C(NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CS2)C=C1	REAL300019746702	1	44	-1.0	-47.78	363.24	5.82	-41.96
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=NC=C2)CCC1	REAL300019746703	0	42	-1.0	-47.36	324.97	4.88	-42.48
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=NC=C2)CCC1	REAL300019746703	1	42	-1.0	-47.39	324.91	4.85	-42.54
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746704	0	36	-1.0	-43.81	312.20	-0.60	-44.41
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746704	1	36	-1.0	-43.81	312.26	-0.58	-44.39
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746705	0	55	-1.0	-45.31	408.93	3.09	-42.22
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746705	1	55	-1.0	-45.29	408.99	3.11	-42.18
C#CCN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019746706	0	48	-1.0	-54.36	384.09	5.88	-48.48
C#CCN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019746706	1	48	-1.0	-54.39	384.15	5.91	-48.48
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746707	0	45	-1.0	-42.31	379.21	6.84	-35.47
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746707	1	45	-1.0	-42.25	379.15	6.81	-35.44
O=C(CC1CCCS1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746708	0	39	-1.0	-63.48	316.18	1.29	-62.19
O=C(CC1CCCS1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746708	1	39	-1.0	-63.43	316.23	1.31	-62.12
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746709	0	42	-1.0	-45.80	353.79	5.98	-39.82
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746709	1	42	-1.0	-45.77	353.85	6.00	-39.77
CC1=CC=C(C(=O)C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746710	0	42	-1.0	-44.55	347.38	6.49	-38.06
CC1=CC=C(C(=O)C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746710	1	42	-1.0	-44.54	347.44	6.52	-38.02
CC1=CN(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746711	0	42	-1.0	-45.84	318.07	4.92	-40.92
CC1=CN(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746711	1	42	-1.0	-45.83	318.13	4.95	-40.88
O=C(C1=CC=C2NC=NC2=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746712	0	36	-1.0	-59.31	302.37	4.13	-55.18
O=C(C1=CC=C2NC=NC2=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746712	1	36	-1.0	-59.29	302.42	4.15	-55.14
NC1=NN=NN1C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746713	0	40	-1.0	-57.18	331.72	4.39	-52.79
NC1=NN=NN1C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746713	1	40	-1.0	-57.24	331.66	4.36	-52.88
CC1=CC=CC=C1NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=CS1	REAL300019746714	0	44	-1.0	-47.95	361.03	6.00	-41.95
CC1=CC=CC=C1NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=CS1	REAL300019746714	1	44	-1.0	-47.98	360.97	5.97	-42.01
CCN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300019746715	0	36	-1.0	-42.77	309.07	4.17	-38.60
CCN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300019746715	1	36	-1.0	-42.75	309.01	4.14	-38.61
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746716	0	36	-1.0	-46.04	311.69	2.43	-43.61
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746716	1	36	-1.0	-46.06	311.75	2.45	-43.61
O=C(NC(CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300019746717	0	48	-1.0	-41.53	394.84	0.88	-40.65
O=C(NC(CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300019746717	1	48	-1.0	-41.56	394.90	0.90	-40.66
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746718	0	36	-1.0	-45.67	322.43	5.73	-39.94
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746718	1	36	-1.0	-45.63	322.37	5.70	-39.93
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=NO2	REAL300019746719	0	52	-1.0	-43.47	411.17	3.75	-39.72
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=NO2	REAL300019746719	1	52	-1.0	-43.49	411.23	3.77	-39.72
CN1N=C(I)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746720	0	33	-1.0	-41.57	295.19	3.12	-38.45
CN1N=C(I)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746720	1	33	-1.0	-41.57	295.13	3.10	-38.47
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C#N)C=C1	REAL300019746721	0	43	-1.0	-48.67	331.16	6.45	-42.22
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C#N)C=C1	REAL300019746721	1	43	-1.0	-48.69	331.22	6.48	-42.21
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019746722	0	56	-1.0	-51.21	421.29	4.68	-46.53
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019746722	1	56	-1.0	-51.25	421.35	4.70	-46.55
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746723	0	37	-1.0	-44.87	316.54	5.18	-39.69
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746723	1	37	-1.0	-44.85	316.60	5.21	-39.64
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746724	0	43	-1.0	-51.04	371.06	5.26	-45.78
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746724	1	43	-1.0	-51.02	371.00	5.24	-45.78
O=CC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746725	0	35	-1.0	-50.52	299.95	4.24	-46.28
O=CC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746725	1	35	-1.0	-50.51	300.00	4.26	-46.25
O=CC1=CNC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300019746726	0	39	-1.0	-47.29	323.32	4.21	-43.08
O=CC1=CNC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300019746726	1	39	-1.0	-47.26	323.38	4.24	-43.02
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300019746727	0	52	-1.0	-40.41	421.30	9.01	-31.40
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300019746727	1	52	-1.0	-40.44	421.36	9.03	-31.41
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746728	0	49	-1.0	-50.39	398.07	8.03	-42.36
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746728	1	49	-1.0	-50.40	398.13	8.05	-42.35
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746729	0	49	-1.0	-43.95	398.67	8.41	-35.54
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746729	1	49	-1.0	-43.97	398.72	8.43	-35.54
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746730	0	52	-1.0	-52.07	425.43	9.16	-42.91
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746730	1	52	-1.0	-52.06	425.49	9.19	-42.87
O=CC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746731	0	35	-1.0	-47.56	314.51	4.75	-42.81
O=CC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746731	1	35	-1.0	-47.60	314.57	4.77	-42.83
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746732	0	40	-1.0	-45.99	325.19	-0.08	-46.07
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746732	1	40	-1.0	-45.93	325.13	-0.10	-46.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019746733	0	44	-1.0	-50.54	339.23	3.29	-47.25
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019746733	1	44	-1.0	-50.55	339.29	3.31	-47.24
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746734	0	49	-1.0	-45.87	403.56	2.58	-43.29
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746734	1	49	-1.0	-45.87	403.61	2.60	-43.27
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746735	0	43	-1.0	-48.67	349.42	5.38	-43.29
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746735	1	43	-1.0	-48.72	349.47	5.40	-43.32
O=C(C1=CN=C2SC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746736	0	35	-1.0	-38.77	302.40	3.93	-34.84
O=C(C1=CN=C2SC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746736	1	35	-1.0	-38.73	302.35	3.91	-34.82
O=C(CC(F)(F)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746737	0	32	-1.0	-47.77	284.61	3.77	-44.00
O=C(CC(F)(F)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746737	1	32	-1.0	-47.77	284.67	3.80	-43.97
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746738	0	35	-1.0	-37.94	310.18	3.87	-34.07
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746738	1	35	-1.0	-37.92	310.12	3.85	-34.07
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746739	0	47	-1.0	-57.05	384.89	3.83	-53.22
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746739	1	47	-1.0	-57.08	384.95	3.85	-53.23
O=C(C1=COC(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746740	0	32	-1.0	-41.13	287.42	1.44	-39.69
O=C(C1=COC(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746740	1	32	-1.0	-41.09	287.36	1.41	-39.68
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746741	0	35	-1.0	-45.21	314.64	4.43	-40.78
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746741	1	35	-1.0	-45.21	314.58	4.40	-40.81
COC1=CC=C(C=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746742	0	39	-1.0	-50.90	322.67	3.76	-47.14
COC1=CC=C(C=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746742	1	39	-1.0	-50.92	322.73	3.79	-47.13
O=CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300019746743	0	35	-1.0	-45.30	298.67	4.19	-41.11
O=CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300019746743	1	35	-1.0	-45.27	298.73	4.22	-41.05
CS(=O)(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746744	0	38	-1.0	-50.02	320.50	-0.31	-50.33
CS(=O)(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746744	1	38	-1.0	-50.02	320.56	-0.28	-50.30
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746745	0	43	-1.0	-46.17	355.17	7.77	-38.40
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746745	1	43	-1.0	-46.18	355.23	7.80	-38.38
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746746	0	46	-1.0	-41.10	375.74	6.81	-34.29
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746746	1	46	-1.0	-41.11	375.68	6.78	-34.33
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCCC(C5=N[N-]N=N5)C4)O3)C2=NC=N1	REAL300019746747	0	50	-1.0	-53.90	402.48	6.00	-47.90
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCCC(C5=NN=N[N-]5)C4)O3)C2=NC=N1	REAL300019746747	1	50	-1.0	-53.91	402.54	6.02	-47.89
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746748	0	45	-1.0	-43.65	375.21	4.00	-39.65
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746748	1	45	-1.0	-43.68	375.27	4.02	-39.66
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746749	0	44	-1.0	-48.45	339.27	4.68	-43.77
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746749	1	44	-1.0	-48.44	339.32	4.70	-43.74
CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)=CS1	REAL300019746750	0	39	-1.0	-40.17	348.22	5.02	-35.15
CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)=CS1	REAL300019746750	1	39	-1.0	-40.14	348.16	4.99	-35.15
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746751	0	49	-1.0	-50.78	399.62	7.00	-43.78
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746751	1	49	-1.0	-50.80	399.67	7.03	-43.77
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746752	0	47	-1.0	-52.53	369.87	7.41	-45.12
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746752	1	47	-1.0	-52.56	369.92	7.44	-45.12
CCC1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746753	0	39	-1.0	-43.55	313.41	5.84	-37.71
CCC1=CC=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746753	1	39	-1.0	-43.56	313.47	5.87	-37.69
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746754	0	45	-1.0	-54.80	361.02	1.40	-53.40
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746754	1	45	-1.0	-54.73	361.08	1.43	-53.30
COCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL300019746755	0	37	-1.0	-46.85	312.83	3.23	-43.62
COCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL300019746755	1	37	-1.0	-46.85	312.88	3.26	-43.59
CN1C=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300019746756	0	40	-1.0	-47.87	324.38	6.18	-41.69
CN1C=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300019746756	1	40	-1.0	-47.86	324.44	6.20	-41.66
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019746757	0	45	-1.0	-49.57	355.28	6.54	-43.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019746757	1	45	-1.0	-49.55	355.23	6.51	-43.04
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCCO2)CCC1	REAL300019746758	0	47	-1.0	-44.35	344.14	4.97	-39.38
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCCO2)CCC1	REAL300019746758	1	47	-1.0	-44.35	344.20	5.00	-39.35
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019746759	0	45	-1.0	-49.28	354.99	7.18	-42.10
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019746759	1	45	-1.0	-49.31	355.05	7.21	-42.10
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019746760	0	44	-1.0	-56.23	354.03	5.70	-50.53
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019746760	1	44	-1.0	-56.24	353.97	5.67	-50.57
COC1=CC=C(F)C(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746761	0	41	-1.0	-49.32	342.68	3.45	-45.87
COC1=CC=C(F)C(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746761	1	41	-1.0	-49.31	342.73	3.48	-45.83
COC1=CC=NC(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746762	0	40	-1.0	-51.80	330.61	0.75	-51.05
COC1=CC=NC(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746762	1	40	-1.0	-51.77	330.56	0.72	-51.05
COC(=O)C1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746763	0	39	-1.0	-43.09	323.78	2.75	-40.34
COC(=O)C1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746763	1	39	-1.0	-43.09	323.72	2.73	-40.36
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C[C@H]1C	REAL300019746764	0	43	-1.0	-54.05	343.06	4.74	-49.31
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C[C@H]1C	REAL300019746764	1	43	-1.0	-54.04	343.12	4.76	-49.28
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746765	0	54	-1.0	-47.48	420.89	8.71	-38.77
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746765	1	54	-1.0	-47.51	420.94	8.74	-38.77
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746766	0	49	-1.0	-49.61	391.06	6.16	-43.45
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746766	1	49	-1.0	-49.66	391.11	6.18	-43.48
O=C(C=CC1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746767	0	34	-1.0	-37.89	310.74	5.64	-32.25
O=C(C=CC1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746767	1	34	-1.0	-37.89	310.79	5.67	-32.22
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746768	0	41	-1.0	-50.48	348.33	5.79	-44.69
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746768	1	41	-1.0	-50.49	348.38	5.82	-44.67
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746769	0	44	-1.0	-42.56	345.30	3.70	-38.86
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746769	1	44	-1.0	-42.60	345.24	3.67	-38.93
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)OC2=O	REAL300019746770	0	46	-1.0	-45.30	343.16	5.33	-39.97
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)OC2=O	REAL300019746770	1	46	-1.0	-45.28	343.21	5.35	-39.93
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746771	0	41	-1.0	-49.97	341.49	7.78	-42.19
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746771	1	41	-1.0	-49.89	341.55	7.80	-42.09
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C2=CC=CC=C2)O1	REAL300019746772	0	43	-1.0	-44.88	351.94	7.08	-37.80
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C2=CC=CC=C2)O1	REAL300019746772	1	43	-1.0	-44.84	352.00	7.11	-37.73
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746773	0	41	-1.0	-57.19	330.29	2.97	-54.22
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746773	1	41	-1.0	-57.17	330.34	2.99	-54.18
O=C(CC1CCC(F)(F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746774	0	42	-1.0	-46.54	325.67	5.87	-40.67
O=C(CC1CCC(F)(F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746774	1	42	-1.0	-46.55	325.73	5.90	-40.65
CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300019746775	0	39	-1.0	-57.77	336.58	4.46	-53.31
CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300019746775	1	39	-1.0	-57.76	336.53	4.43	-53.33
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746776	0	43	-1.0	-47.22	343.23	7.42	-39.80
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746776	1	43	-1.0	-47.19	343.28	7.45	-39.74
O=C(C1=CC=CC(C#CCO)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746777	0	39	-1.0	-47.61	330.43	3.23	-44.38
O=C(C1=CC=CC(C#CCO)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746777	1	39	-1.0	-47.63	330.49	3.25	-44.38
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746778	0	47	-1.0	-47.45	367.92	-1.08	-48.53
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746778	1	47	-1.0	-47.41	367.97	-1.05	-48.46
CC1=C(C=O)C(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL300019746779	0	39	-1.0	-49.52	320.69	3.18	-46.34
CC1=C(C=O)C(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL300019746779	1	39	-1.0	-49.56	320.75	3.20	-46.36
COC1=CC(CO)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746780	0	41	-1.0	-42.88	332.32	1.29	-41.59
COC1=CC(CO)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746780	1	41	-1.0	-42.89	332.38	1.31	-41.58
O=C(CC1CCN(CC(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746781	0	47	-1.0	-49.89	359.83	4.36	-45.53
O=C(CC1CCN(CC(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746781	1	47	-1.0	-49.86	359.89	4.39	-45.47
COC1=CC(OC)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C=O	REAL300019746782	0	43	-1.0	-51.69	350.87	3.19	-48.50
COC1=CC(OC)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C=O	REAL300019746782	1	43	-1.0	-51.75	350.93	3.21	-48.54
NC1=C2N=CN(CCCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300019746783	0	45	-1.0	-58.33	369.69	5.62	-52.71
NC1=C2N=CN(CCCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300019746783	1	45	-1.0	-58.29	369.75	5.64	-52.65
NC1=C2N=CN(CCCCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300019746784	0	48	-1.0	-53.06	391.15	6.38	-46.68
NC1=C2N=CN(CCCCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300019746784	1	48	-1.0	-53.06	391.21	6.41	-46.65
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019746785	0	48	0.0	-61.00	333.49	5.40	-55.60
O=C(CC(O)COCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746786	0	47	-1.0	-55.26	381.48	4.13	-51.13
O=C(CC(O)COCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746786	1	47	-1.0	-55.25	381.54	4.15	-51.10
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746787	0	44	-1.0	-51.98	358.58	5.67	-46.31
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746787	1	44	-1.0	-51.95	358.64	5.69	-46.26
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746788	0	53	-1.0	-57.07	400.79	5.51	-51.56
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746788	1	53	-1.0	-57.08	400.85	5.54	-51.54
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746789	0	39	-1.0	-49.95	334.63	6.63	-43.32
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746789	1	39	-1.0	-49.91	334.57	6.60	-43.31
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019746790	0	43	-1.0	-59.21	350.50	2.73	-56.48
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019746790	1	43	-1.0	-59.19	350.56	2.76	-56.43
CC1CCC2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN2C1	REAL300019746791	0	43	-1.0	-45.61	334.85	6.01	-39.60
CC1CCC2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN2C1	REAL300019746791	1	43	-1.0	-45.56	334.91	6.03	-39.53
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746792	0	42	-1.0	-50.12	343.25	6.17	-43.95
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746792	1	42	-1.0	-50.08	343.20	6.15	-43.93
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746793	0	47	-1.0	-39.08	377.68	9.34	-29.74
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746793	1	47	-1.0	-39.05	377.73	9.37	-29.68
CC1=NC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300019746794	0	36	-1.0	-38.39	310.75	3.91	-34.48
CC1=NC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300019746794	1	36	-1.0	-38.39	310.81	3.94	-34.45
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746795	0	43	-1.0	-48.10	342.47	3.78	-44.32
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746795	1	43	-1.0	-48.06	342.41	3.75	-44.31
NC(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746796	0	39	-1.0	-52.67	326.53	0.52	-52.15
NC(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746796	1	39	-1.0	-52.68	326.47	0.49	-52.19
CC1=C(C)C(=O)N(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300019746797	0	43	-1.0	-49.94	357.60	4.08	-45.86
CC1=C(C)C(=O)N(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300019746797	1	43	-1.0	-49.87	357.66	4.10	-45.77
O=C(C1CC2CSCC(C1)C2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746798	0	43	-1.0	-48.54	329.40	4.85	-43.69
O=C(C1CC2CSCC(C1)C2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746798	1	43	-1.0	-48.60	329.46	4.88	-43.72
CCOC(=O)C1CCCN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746799	0	50	-1.0	-52.63	387.05	4.39	-48.24
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746799	1	51	0.0	-66.11	388.59	6.56	-59.55
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746799	1	51	0.0	-66.13	388.66	6.56	-59.57
CCOC(=O)C1CCCN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746799	1	50	-1.0	-52.58	387.11	4.41	-48.17
CCC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC=C1C=O	REAL300019746800	0	48	-1.0	-43.85	356.04	5.84	-38.01
CCC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC=C1C=O	REAL300019746800	1	48	-1.0	-43.84	356.09	5.86	-37.98
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746801	0	53	0.0	-61.84	372.03	5.06	-56.78
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746801	1	53	0.0	-61.81	372.09	5.08	-56.73
O=C(C1CCC(N2CCOCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746801	1	52	-1.0	-47.94	369.04	2.81	-45.13
O=C(C1CCC(N2CCOCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746801	1	52	-1.0	-47.94	369.09	2.84	-45.10
CC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300019746802	0	36	-1.0	-42.21	308.80	2.69	-39.52
CC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300019746802	1	36	-1.0	-42.24	308.86	2.72	-39.52
O=CC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019746803	0	39	-1.0	-39.65	326.65	5.65	-34.00
O=CC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019746803	1	39	-1.0	-39.67	326.71	5.68	-33.99
O=CC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300019746804	0	35	-1.0	-38.36	305.13	4.29	-34.07
O=CC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300019746804	1	35	-1.0	-38.37	305.19	4.32	-34.05
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746805	0	54	-1.0	-52.65	431.45	7.14	-45.51
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746805	1	54	-1.0	-52.66	431.51	7.16	-45.50
CN1CCOC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300019746806	0	43	-1.0	-40.72	335.76	3.03	-37.69
CN1CCOC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300019746806	1	43	-1.0	-40.69	335.81	3.06	-37.63
CC1CCN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2C1	REAL300019746807	0	43	-1.0	-47.95	335.20	6.06	-41.89
CC1CCN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2C1	REAL300019746807	1	43	-1.0	-47.92	335.25	6.09	-41.83
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746808	0	49	0.0	-67.71	342.03	3.72	-63.99
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746808	1	49	0.0	-67.70	342.09	3.75	-63.95
CC(C)(CN1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746808	1	48	-1.0	-47.36	344.36	1.95	-45.41
CC(C)(CN1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746808	1	48	-1.0	-47.35	344.42	1.97	-45.38
CN1CC[N@H+](C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746809	0	47	0.0	-63.85	343.21	3.16	-60.69
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746809	1	47	0.0	-52.13	340.38	3.05	-49.08
CN1CC[N@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746809	1	47	0.0	-63.86	343.27	3.19	-60.67
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746809	1	47	0.0	-52.12	340.44	3.07	-49.05
CC(C)COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300019749202	0	48	-1.0	-48.61	361.32	5.97	-42.64
CC(C)COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300019749202	1	48	-1.0	-48.60	361.38	6.00	-42.60
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749203	0	58	-1.0	-47.82	426.27	4.61	-43.21
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749203	1	58	-1.0	-47.89	426.32	4.64	-43.25
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749204	0	39	-1.0	-45.75	332.46	5.24	-40.51
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749204	1	39	-1.0	-45.70	332.51	5.26	-40.44
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CC2=NN1	REAL300019749205	0	38	-1.0	-46.72	312.99	2.83	-43.89
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CC2=NN1	REAL300019749205	1	38	-1.0	-46.75	313.05	2.86	-43.89
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749206	0	36	-1.0	-46.64	312.99	5.86	-40.78
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749206	1	36	-1.0	-46.65	312.94	5.83	-40.82
O=C(CCCCC1CSSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749207	0	44	-1.0	-50.25	362.37	7.94	-42.31
O=C(CCCCC1CSSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749207	1	44	-1.0	-50.31	362.42	7.96	-42.35
CNC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019749208	0	45	-1.0	-55.58	345.31	2.63	-52.95
CNC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019749208	1	45	-1.0	-55.61	345.36	2.65	-52.96
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749209	0	38	-1.0	-43.73	324.36	5.26	-38.47
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749209	1	38	-1.0	-43.70	324.30	5.24	-38.46
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749210	0	59	-1.0	-56.26	409.59	7.36	-48.90
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749210	1	59	-1.0	-56.24	409.65	7.38	-48.86
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300019749211	0	56	-1.0	-44.16	412.71	5.13	-39.03
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300019749211	1	56	-1.0	-44.12	412.77	5.15	-38.97
O=C(C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749212	0	49	-1.0	-44.91	391.34	9.23	-35.68
O=C(C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749212	1	49	-1.0	-44.94	391.39	9.26	-35.68
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749213	0	49	-1.0	-48.16	390.16	8.20	-39.96
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749213	1	49	-1.0	-48.14	390.22	8.23	-39.91
O=C(C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749214	0	49	-1.0	-44.42	401.68	9.69	-34.73
O=C(C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749214	1	49	-1.0	-44.43	401.74	9.71	-34.72
CC1=CC2=CC=CN=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749215	0	41	-1.0	-54.98	333.74	5.69	-49.29
CC1=CC2=CC=CN=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749215	1	41	-1.0	-54.92	333.69	5.67	-49.25
O=C(CC1=CC(Br)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749216	0	33	-1.0	-46.55	306.37	5.17	-41.38
O=C(CC1=CC(Br)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749216	1	33	-1.0	-46.55	306.42	5.19	-41.36
CN1C=C(C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019749217	0	43	-1.0	-54.39	351.01	5.71	-48.68
CN1C=C(C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019749217	1	43	-1.0	-54.34	350.95	5.69	-48.65
O=C(C1=C(C2CCC2)ON=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749218	0	39	-1.0	-42.60	313.38	4.77	-37.83
O=C(C1=C(C2CCC2)ON=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749218	1	39	-1.0	-42.68	313.44	4.80	-37.88
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CN=C2C=C1	REAL300019749219	0	41	-1.0	-46.39	333.43	5.41	-40.98
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CN=C2C=C1	REAL300019749219	1	41	-1.0	-46.40	333.38	5.38	-41.02
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749220	0	44	-1.0	-41.60	371.73	8.73	-32.87
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749220	1	44	-1.0	-41.63	371.78	8.76	-32.87
COC1(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)COC1	REAL300019749221	0	45	-1.0	-50.36	350.94	3.75	-46.61
COC1(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)COC1	REAL300019749221	1	45	-1.0	-50.36	350.99	3.78	-46.58
COCCN1C=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300019749222	0	47	-1.0	-50.74	380.44	6.17	-44.57
COCCN1C=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300019749222	1	47	-1.0	-50.79	380.50	6.19	-44.60
CC(C)N1C=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300019749223	0	46	-1.0	-51.36	364.84	7.60	-43.76
CC(C)N1C=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300019749223	1	46	-1.0	-51.37	364.90	7.62	-43.75
C[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019749224	0	39	-1.0	-46.97	313.83	5.84	-41.13
C[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019749224	1	39	-1.0	-46.99	313.89	5.87	-41.12
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300019749225	0	41	-1.0	-46.55	324.69	5.41	-41.14
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300019749225	1	41	-1.0	-46.50	324.75	5.44	-41.06
O=C(C1=CC=NN1CC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749226	0	40	-1.0	-44.70	320.64	4.62	-40.08
O=C(C1=CC=NN1CC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749226	1	40	-1.0	-44.67	320.59	4.60	-40.07
O=C(C1CCC(F)(F)CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749227	0	37	-1.0	-51.67	296.21	3.75	-47.92
O=C(C1CCC(F)(F)CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749227	1	37	-1.0	-51.68	296.27	3.78	-47.90
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749228	0	49	-1.0	-44.52	391.32	9.23	-35.29
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749228	1	49	-1.0	-44.53	391.38	9.26	-35.27
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749229	0	39	-1.0	-42.98	337.91	5.71	-37.27
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749229	1	39	-1.0	-42.98	337.85	5.68	-37.30
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749230	0	39	-1.0	-38.28	349.08	6.22	-32.06
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749230	1	39	-1.0	-38.31	349.03	6.19	-32.12
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749231	0	39	-1.0	-37.95	348.22	6.17	-31.78
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749231	1	39	-1.0	-37.93	348.16	6.14	-31.79
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)N2C)C=C1	REAL300019749232	0	52	-1.0	-53.70	415.18	8.60	-45.10
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)N2C)C=C1	REAL300019749232	1	52	-1.0	-53.68	415.23	8.62	-45.06
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC(F)=CC(F)=C21	REAL300019749233	0	40	-1.0	-41.57	336.28	5.04	-36.53
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC(F)=CC(F)=C21	REAL300019749233	1	40	-1.0	-41.59	336.34	5.07	-36.52
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749234	0	52	-1.0	-42.53	412.73	3.90	-38.63
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749234	1	52	-1.0	-42.56	412.79	3.92	-38.64
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749235	0	56	-1.0	-47.35	420.23	4.62	-42.73
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749235	1	56	-1.0	-47.34	420.29	4.65	-42.69
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749236	0	33	-1.0	-49.07	299.21	5.08	-43.99
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749236	1	33	-1.0	-49.05	299.27	5.10	-43.95
COC(=O)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019749237	0	42	-1.0	-49.75	347.45	5.89	-43.86
COC(=O)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019749237	1	42	-1.0	-49.79	347.50	5.91	-43.88
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749238	0	59	-1.0	-46.02	446.29	3.44	-42.58
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749238	1	59	-1.0	-46.02	446.35	3.47	-42.55
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(F)C(F)=C1F	REAL300019749239	0	35	-1.0	-40.30	300.79	2.68	-37.62
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(F)C(F)=C1F	REAL300019749239	1	35	-1.0	-40.33	300.85	2.70	-37.63
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749240	0	56	-1.0	-58.38	417.41	6.39	-51.99
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749240	1	56	-1.0	-58.37	417.47	6.42	-51.95
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749241	0	50	-1.0	-61.57	376.44	5.00	-56.57
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749241	1	50	-1.0	-61.58	376.50	5.03	-56.55
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749242	0	58	-1.0	-42.29	410.09	5.77	-36.52
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749242	1	58	-1.0	-42.32	410.15	5.79	-36.53
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749243	0	59	-1.0	-39.60	447.40	3.54	-36.06
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749243	1	59	-1.0	-39.62	447.45	3.57	-36.05
O=C(C1=C(Br)C=CN=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749244	0	32	-1.0	-47.37	295.73	3.32	-44.05
O=C(C1=C(Br)C=CN=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749244	1	32	-1.0	-47.36	295.67	3.29	-44.07
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749245	0	35	-1.0	-43.15	305.70	2.69	-40.46
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749245	1	35	-1.0	-43.17	305.76	2.71	-40.46
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300019749246	0	49	-1.0	-44.30	394.60	0.81	-43.49
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300019749246	1	49	-1.0	-44.27	394.66	0.83	-43.44
CN(C)C1=CC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749247	0	41	-1.0	-47.24	341.88	5.44	-41.80
CN(C)C1=CC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749247	1	41	-1.0	-47.21	341.94	5.46	-41.75
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749248	0	43	-1.0	-52.74	351.77	2.98	-49.76
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749248	1	43	-1.0	-52.73	351.82	3.01	-49.72
O=C(C1=NN2CC(F)CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749249	0	37	-1.0	-47.48	303.13	3.74	-43.74
O=C(C1=NN2CC(F)CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749249	1	37	-1.0	-47.45	303.19	3.77	-43.68
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300019749250	0	49	-1.0	-53.07	380.63	3.87	-49.20
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300019749250	1	49	-1.0	-53.08	380.69	3.90	-49.18
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCN(CCC1)S2(=O)=O	REAL300019749251	0	42	-1.0	-56.43	320.15	0.59	-55.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCN(CCC1)S2(=O)=O	REAL300019749251	1	42	-1.0	-56.42	320.20	0.61	-55.81
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749252	0	42	-1.0	-54.71	347.01	3.94	-50.77
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749252	1	42	-1.0	-54.68	346.95	3.92	-50.76
CC1=CC=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2(F)F)=C1	REAL300019749253	0	43	-1.0	-43.59	347.19	7.14	-36.45
CC1=CC=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2(F)F)=C1	REAL300019749253	1	43	-1.0	-43.58	347.24	7.16	-36.42
O=C(C1=C(C2CC2)ON=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749254	0	36	-1.0	-42.13	325.48	5.03	-37.10
O=C(C1=C(C2CC2)ON=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749254	1	36	-1.0	-42.17	325.53	5.06	-37.11
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749255	0	34	-1.0	-44.09	302.94	3.60	-40.49
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749255	1	34	-1.0	-44.13	303.00	3.62	-40.51
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2)O1	REAL300019749256	0	37	-1.0	-46.59	303.15	3.80	-42.79
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2)O1	REAL300019749256	1	37	-1.0	-46.61	303.20	3.82	-42.79
CC(C)C1=CNC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300019749257	0	45	-1.0	-58.56	357.08	5.32	-53.24
CC(C)C1=CNC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300019749257	1	45	-1.0	-58.54	357.13	5.34	-53.20
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749258	0	39	-1.0	-49.17	338.37	4.59	-44.58
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749258	1	39	-1.0	-49.13	338.43	4.61	-44.52
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749259	0	35	-1.0	-56.55	313.13	3.89	-52.66
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749259	1	35	-1.0	-56.56	313.19	3.91	-52.65
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749260	0	56	-1.0	-39.57	427.12	2.80	-36.77
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749260	1	56	-1.0	-39.60	427.18	2.82	-36.78
C#CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300019749261	0	55	-1.0	-60.26	419.57	5.89	-54.37
C#CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300019749261	1	55	-1.0	-60.28	419.63	5.92	-54.36
CCOC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300019749262	0	42	-1.0	-42.29	354.21	3.42	-38.87
CCOC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300019749262	1	42	-1.0	-42.33	354.27	3.44	-38.89
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749263	0	40	-1.0	-49.67	340.36	7.26	-42.41
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749263	1	40	-1.0	-49.64	340.41	7.29	-42.35
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749264	0	53	-1.0	-46.31	407.77	2.46	-43.85
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749264	1	53	-1.0	-46.33	407.83	2.48	-43.85
C=CCN(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019749265	0	53	-1.0	-49.06	415.73	6.41	-42.65
C=CCN(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019749265	1	53	-1.0	-49.04	415.79	6.44	-42.60
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749266	0	56	-1.0	-56.15	414.49	5.48	-50.67
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749266	1	56	-1.0	-56.12	414.55	5.51	-50.61
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC2=CC=CC=C21	REAL300019749267	0	42	-1.0	-46.25	330.74	7.19	-39.06
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC2=CC=CC=C21	REAL300019749267	1	42	-1.0	-46.25	330.80	7.22	-39.03
COC1=CC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019749268	0	42	-1.0	-46.32	342.46	2.99	-43.33
COC1=CC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019749268	1	42	-1.0	-46.32	342.52	3.02	-43.30
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=C1CCOC2	REAL300019749269	0	41	-1.0	-44.29	324.26	2.79	-41.50
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=C1CCOC2	REAL300019749269	1	41	-1.0	-44.29	324.31	2.81	-41.48
COC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019749270	0	39	-1.0	-43.17	315.40	1.73	-41.44
COC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019749270	1	39	-1.0	-43.18	315.46	1.75	-41.43
CC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC(=O)CC2)C=C1	REAL300019749271	0	51	-1.0	-46.67	378.40	7.27	-39.40
CC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC(=O)CC2)C=C1	REAL300019749271	1	51	-1.0	-46.72	378.46	7.30	-39.42
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCOCC2)CC1(F)F	REAL300019749272	0	44	-1.0	-53.08	335.87	4.11	-48.97
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCOCC2)CC1(F)F	REAL300019749272	1	44	-1.0	-53.07	335.92	4.13	-48.94
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749273	0	38	-1.0	-49.01	339.73	4.73	-44.28
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749273	1	38	-1.0	-48.98	339.67	4.71	-44.27
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300019749274	0	41	-1.0	-48.70	349.11	3.54	-45.16
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300019749274	1	41	-1.0	-48.74	349.06	3.51	-45.23
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=C1C=CS2	REAL300019749275	0	37	-1.0	-44.59	309.79	5.04	-39.55
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=C1C=CS2	REAL300019749275	1	37	-1.0	-44.58	309.84	5.07	-39.51
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC(F)F	REAL300019749276	0	39	-1.0	-46.29	324.07	3.75	-42.54
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC(F)F	REAL300019749276	1	39	-1.0	-46.27	324.13	3.78	-42.49
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1CCC1	REAL300019749277	0	43	-1.0	-45.74	341.00	4.90	-40.84
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1CCC1	REAL300019749277	1	43	-1.0	-45.70	341.06	4.93	-40.77
O=C(C1=C2CCCCC2=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749278	0	41	-1.0	-44.94	321.38	4.74	-40.20
O=C(C1=C2CCCCC2=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749278	1	41	-1.0	-44.95	321.44	4.77	-40.18
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CO1	REAL300019749279	0	54	-1.0	-50.63	413.47	2.22	-48.41
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CO1	REAL300019749279	1	54	-1.0	-50.61	413.53	2.24	-48.37
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749280	0	53	-1.0	-46.69	407.23	2.01	-44.68
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749280	1	53	-1.0	-46.68	407.18	1.98	-44.70
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019749281	0	56	-1.0	-54.22	421.77	6.18	-48.04
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019749281	1	56	-1.0	-54.19	421.82	6.20	-47.99
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019749282	0	51	-1.0	-50.42	396.34	3.13	-47.29
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019749282	1	51	-1.0	-50.39	396.40	3.16	-47.23
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC(C)(C)C1	REAL300019749283	0	59	-1.0	-43.07	435.95	5.94	-37.13
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC(C)(C)C1	REAL300019749283	1	59	-1.0	-43.08	436.00	5.97	-37.11
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749284	0	57	-1.0	-40.00	420.26	2.94	-37.06
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749284	1	57	-1.0	-40.00	420.32	2.97	-37.03
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019749285	0	59	-1.0	-39.69	432.25	5.11	-34.58
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019749285	1	59	-1.0	-39.68	432.31	5.13	-34.55
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1C	REAL300019749286	0	42	-1.0	-52.88	336.30	4.43	-48.45
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1C	REAL300019749286	1	42	-1.0	-52.91	336.36	4.46	-48.45
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019749287	0	56	-1.0	-51.42	407.32	5.56	-45.86
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019749287	1	56	-1.0	-51.39	407.38	5.59	-45.80
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019749288	0	50	-1.0	-41.25	391.24	3.15	-38.10
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019749288	1	50	-1.0	-41.25	391.30	3.18	-38.07
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749289	0	36	-1.0	-51.47	316.58	5.69	-45.78
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749289	1	36	-1.0	-51.47	316.64	5.72	-45.75
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019749290	0	40	-1.0	-51.25	341.37	6.87	-44.38
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019749290	1	40	-1.0	-51.30	341.43	6.89	-44.41
CC(=O)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300019749291	0	34	-1.0	-52.89	298.63	2.82	-50.07
CC(=O)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300019749291	1	34	-1.0	-52.89	298.69	2.84	-50.05
COC1=NN(C)C(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749292	0	37	-1.0	-47.03	330.73	0.85	-46.18
COC1=NN(C)C(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749292	1	37	-1.0	-47.01	330.67	0.82	-46.19
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300019749293	0	40	-1.0	-60.03	328.83	3.32	-56.71
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300019749293	1	40	-1.0	-60.05	328.89	3.34	-56.71
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749294	0	57	-1.0	-49.57	435.97	2.83	-46.74
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749294	1	57	-1.0	-49.55	436.02	2.86	-46.69
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749295	0	36	-1.0	-49.78	316.23	4.64	-45.14
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749295	1	36	-1.0	-49.73	316.29	4.67	-45.06
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300019749296	0	46	-1.0	-60.67	381.72	3.96	-56.71
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300019749296	1	46	-1.0	-60.70	381.77	3.98	-56.72
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=C(C)S1	REAL300019749297	0	39	-1.0	-41.65	341.62	6.40	-35.25
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=C(C)S1	REAL300019749297	1	39	-1.0	-41.67	341.68	6.42	-35.25
O=C(C1CCCC2=NN=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749298	0	39	-1.0	-54.15	307.73	5.20	-48.95
O=C(C1CCCC2=NN=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749298	1	39	-1.0	-54.11	307.79	5.22	-48.89
CC1(C)CCCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019749299	0	46	-1.0	-49.44	343.58	5.52	-43.92
CC1(C)CCCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019749299	1	46	-1.0	-49.45	343.64	5.54	-43.91
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CN=C1	REAL300019749300	0	39	-1.0	-53.09	316.32	3.51	-49.58
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CN=C1	REAL300019749300	1	39	-1.0	-53.09	316.26	3.48	-49.61
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749301	0	57	-1.0	-55.75	421.70	6.31	-49.44
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749301	1	57	-1.0	-55.74	421.75	6.34	-49.40
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749302	0	56	-1.0	-55.10	412.47	4.16	-50.94
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749302	1	56	-1.0	-55.10	412.53	4.19	-50.91
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749303	0	36	-1.0	-47.19	340.25	6.89	-40.30
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749303	1	36	-1.0	-47.17	340.30	6.91	-40.26
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300019749304	0	45	-1.0	-56.56	342.16	1.78	-54.78
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300019749304	1	45	-1.0	-56.57	342.21	1.81	-54.76
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749305	0	40	-1.0	-51.43	334.34	6.93	-44.50
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749305	1	40	-1.0	-51.44	334.39	6.95	-44.49
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C3=O	REAL300019749306	0	49	-1.0	-62.04	389.64	7.36	-54.68
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C3=O	REAL300019749306	1	49	-1.0	-62.04	389.69	7.39	-54.65
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300019749307	0	47	-1.0	-47.89	373.45	6.25	-41.64
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300019749307	1	47	-1.0	-47.91	373.51	6.27	-41.64
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749308	0	41	-1.0	-56.71	341.07	5.37	-51.34
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749308	1	41	-1.0	-56.65	341.13	5.40	-51.25
COC1=CC2=NC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300019749309	0	42	-1.0	-46.59	338.48	4.10	-42.49
COC1=CC2=NC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300019749309	1	42	-1.0	-46.58	338.42	4.08	-42.50
CCSC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019749310	0	46	-1.0	-36.30	358.29	6.79	-29.51
CCSC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019749310	1	46	-1.0	-36.32	358.35	6.81	-29.51
CC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=N1	REAL300019749311	0	44	-1.0	-46.72	354.20	5.71	-41.01
CC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=N1	REAL300019749311	1	44	-1.0	-46.75	354.26	5.74	-41.01
CC1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300019749312	0	42	-1.0	-39.86	338.09	7.35	-32.51
CC1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300019749312	1	42	-1.0	-39.88	338.15	7.38	-32.50
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749313	0	56	-1.0	-54.82	422.26	6.05	-48.77
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749313	1	56	-1.0	-54.81	422.32	6.08	-48.73
O=C(CCC1=CC=CC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749314	0	39	-1.0	-51.36	320.71	3.03	-48.33
O=C(CCC1=CC=CC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749314	1	39	-1.0	-51.36	320.76	3.06	-48.30
O=C(C1=CSC(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749315	0	30	-1.0	-47.09	293.51	4.55	-42.54
O=C(C1=CSC(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749315	1	30	-1.0	-47.11	293.57	4.58	-42.53
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749316	0	45	-1.0	-52.88	360.90	3.83	-49.05
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749316	1	45	-1.0	-52.84	360.95	3.86	-48.98
CC1=NN(C2CCC2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749317	0	43	-1.0	-47.11	337.31	4.69	-42.42
CC1=NN(C2CCC2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749317	1	43	-1.0	-47.13	337.36	4.71	-42.42
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749318	0	40	-1.0	-40.66	335.66	5.69	-34.97
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749318	1	40	-1.0	-40.62	335.60	5.67	-34.95
O=C(C1=CNC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749319	0	31	-1.0	-52.37	278.09	2.99	-49.38
O=C(C1=CNC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749319	1	31	-1.0	-52.39	278.14	3.02	-49.37
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749320	0	43	-1.0	-58.64	367.91	4.40	-54.24
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749320	1	43	-1.0	-58.62	367.97	4.43	-54.19
CCC1=C(C)SC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749321	0	39	-1.0	-38.21	320.16	5.58	-32.63
CCC1=C(C)SC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749321	1	39	-1.0	-38.18	320.22	5.61	-32.57
O=C(C1CC(OC(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749322	0	37	-1.0	-46.09	312.43	3.23	-42.86
O=C(C1CC(OC(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749322	1	37	-1.0	-46.09	312.48	3.26	-42.83
CS(=O)(=O)C1=COC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749323	0	36	-1.0	-46.17	314.11	0.10	-46.07
CS(=O)(=O)C1=COC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749323	1	36	-1.0	-46.16	314.17	0.12	-46.04
O=C(CC1=CC=C2COCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749324	0	44	-1.0	-49.61	348.38	5.52	-44.09
O=C(CC1=CC=C2COCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749324	1	44	-1.0	-49.61	348.44	5.55	-44.06
O=C(CC1=CC=C2CCOCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749325	0	44	-1.0	-48.55	348.39	5.52	-43.03
O=C(CC1=CC=C2CCOCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749325	1	44	-1.0	-48.62	348.45	5.55	-43.07
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749326	0	42	-1.0	-45.61	345.63	6.16	-39.45
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749326	1	42	-1.0	-45.65	345.58	6.13	-39.52
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300019749327	0	35	-1.0	-39.13	304.45	4.56	-34.57
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300019749327	1	35	-1.0	-39.14	304.51	4.59	-34.55
COC1=CC(Br)=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749328	0	36	-1.0	-41.47	313.21	4.68	-36.79
COC1=CC(Br)=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749328	1	36	-1.0	-41.46	313.15	4.65	-36.81
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749329	0	42	-1.0	-55.67	353.13	2.06	-53.61
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749329	1	42	-1.0	-55.71	353.19	2.08	-53.63
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749330	0	40	-1.0	-43.28	334.43	5.70	-37.58
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749330	1	40	-1.0	-43.34	334.49	5.73	-37.61
CCC1=CC=C(N2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300019749331	0	45	-1.0	-46.71	366.98	6.15	-40.56
CCC1=CC=C(N2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300019749331	1	45	-1.0	-46.71	366.92	6.13	-40.58
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019749332	0	48	-1.0	-48.17	399.32	3.87	-44.30
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019749332	1	48	-1.0	-48.16	399.38	3.90	-44.26
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749333	0	48	-1.0	-53.49	399.97	3.89	-49.60
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749333	1	48	-1.0	-53.49	400.03	3.91	-49.58
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749334	0	38	-2.0	-84.28	334.57	3.07	-81.21
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749334	1	38	-2.0	-84.29	334.63	3.10	-81.19
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749335	0	43	-1.0	-42.56	370.90	6.98	-35.58
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749335	1	43	-1.0	-42.58	370.85	6.96	-35.62
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN(C)C1=O	REAL300019749336	0	39	-1.0	-47.43	319.67	4.07	-43.36
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN(C)C1=O	REAL300019749336	1	39	-1.0	-47.38	319.72	4.09	-43.29
O=C(CC1CCCC(F)(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749337	0	42	-1.0	-48.06	325.63	5.84	-42.22
O=C(CC1CCCC(F)(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749337	1	42	-1.0	-48.03	325.68	5.86	-42.17
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749338	0	54	-1.0	-47.99	410.95	9.34	-38.65
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749338	1	54	-1.0	-48.01	411.00	9.36	-38.65
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749339	0	44	-1.0	-45.12	355.70	6.16	-38.96
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749339	1	44	-1.0	-45.16	355.76	6.18	-38.98
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749340	0	41	-1.0	-48.66	343.71	4.51	-44.15
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749340	1	41	-1.0	-48.70	343.77	4.53	-44.17
CC1(C)CCC(=O)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019749341	0	48	-1.0	-45.51	368.41	6.84	-38.67
CC1(C)CCC(=O)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019749341	1	48	-1.0	-45.51	368.46	6.87	-38.64
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300019749342	0	33	-1.0	-37.58	297.20	4.74	-32.84
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300019749342	1	33	-1.0	-37.54	297.26	4.77	-32.77
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749343	0	35	-1.0	-42.82	322.40	4.65	-38.17
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749343	1	35	-1.0	-42.78	322.34	4.62	-38.16
O=C(C1CCC(=O)N(C2CC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749344	0	44	-1.0	-47.03	340.01	4.27	-42.76
O=C(C1CCC(=O)N(C2CC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749344	1	44	-1.0	-47.03	340.06	4.30	-42.73
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749345	0	49	-1.0	-49.15	378.67	4.27	-44.88
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749345	1	49	-1.0	-49.20	378.73	4.29	-44.91
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749346	0	46	-1.0	-50.95	366.56	5.92	-45.03
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749346	1	46	-1.0	-50.99	366.61	5.95	-45.04
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749347	0	40	-1.0	-47.24	342.79	7.22	-40.02
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749347	1	40	-1.0	-47.25	342.85	7.24	-40.01
N#CC1=CN=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749348	0	33	-1.0	-47.93	299.77	3.36	-44.57
N#CC1=CN=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749348	1	33	-1.0	-47.95	299.71	3.34	-44.61
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749349	0	38	-1.0	-64.80	310.20	3.01	-61.79
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749349	1	38	-1.0	-64.85	310.25	3.03	-61.82
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749350	0	43	-1.0	-47.34	348.42	4.15	-43.19
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749350	1	43	-1.0	-47.36	348.48	4.18	-43.18
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300019749351	0	39	-1.0	-43.35	325.90	6.23	-37.12
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300019749351	1	39	-1.0	-43.34	325.96	6.25	-37.09
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749352	0	47	-1.0	-45.72	372.73	3.41	-42.31
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749352	1	47	-1.0	-45.77	372.67	3.39	-42.38
O=C(C1=CC=C(CC2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749353	0	43	-1.0	-45.47	344.98	7.44	-38.03
O=C(C1=CC=C(CC2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749353	1	43	-1.0	-45.48	345.04	7.47	-38.01
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749354	0	35	-1.0	-38.97	318.92	5.60	-33.37
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749354	1	35	-1.0	-38.98	318.86	5.58	-33.40
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749355	0	36	-1.0	-46.53	318.52	5.38	-41.15
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749355	1	36	-1.0	-46.57	318.58	5.40	-41.17
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749356	0	35	-1.0	-42.08	317.80	4.47	-37.61
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749356	1	35	-1.0	-42.09	317.75	4.45	-37.64
N#CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300019749357	0	40	-1.0	-48.81	342.36	6.65	-42.16
N#CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300019749357	1	40	-1.0	-48.82	342.42	6.68	-42.14
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749358	0	39	-1.0	-49.55	327.45	1.73	-47.82
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749358	1	39	-1.0	-49.58	327.51	1.76	-47.82
O=C(C1=CN=C2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749359	0	42	-1.0	-38.05	327.66	5.11	-32.94
O=C(C1=CN=C2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749359	1	42	-1.0	-38.03	327.72	5.13	-32.90
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749360	0	41	-1.0	-44.55	335.21	6.44	-38.11
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749360	1	41	-1.0	-44.56	335.27	6.47	-38.09
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749361	0	43	-1.0	-43.36	342.04	7.49	-35.87
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749361	1	43	-1.0	-43.36	342.10	7.52	-35.84
COCCN1C=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019749362	0	47	-1.0	-41.68	379.33	6.14	-35.54
COCCN1C=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019749362	1	47	-1.0	-41.72	379.39	6.16	-35.56
CC(C)N1C=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300019749363	0	46	-1.0	-42.17	363.69	7.55	-34.62
CC(C)N1C=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300019749363	1	46	-1.0	-42.13	363.75	7.58	-34.55
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749364	0	40	-1.0	-49.76	329.51	4.61	-45.15
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749364	1	40	-1.0	-49.80	329.57	4.63	-45.17
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749365	0	38	-1.0	-38.67	329.78	5.45	-33.22
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749365	1	38	-1.0	-38.65	329.73	5.42	-33.23
C=CCOCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300019749366	0	49	-1.0	-43.26	363.69	5.58	-37.68
C=CCOCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300019749366	1	49	-1.0	-43.26	363.75	5.60	-37.66
CC12CCCN1S(=O)(=O)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300019749367	0	45	-1.0	-56.48	341.07	1.77	-54.71
CC12CCCN1S(=O)(=O)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300019749367	1	45	-1.0	-56.47	341.13	1.79	-54.68
CN1N=CC(C(F)F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749368	0	36	-1.0	-46.00	308.65	3.11	-42.89
CN1N=CC(C(F)F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749368	1	36	-1.0	-46.01	308.59	3.08	-42.93
CC1=NN(C2CCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749369	0	43	-1.0	-44.30	337.84	4.98	-39.32
CC1=NN(C2CCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749369	1	43	-1.0	-44.36	337.90	5.00	-39.36
O=C(C1=CC=NN1CCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749370	0	39	-1.0	-44.67	328.29	4.19	-40.48
O=C(C1=CC=NN1CCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749370	1	39	-1.0	-44.67	328.24	4.16	-40.51
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749371	0	44	-1.0	-48.58	365.83	6.69	-41.89
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749371	1	44	-1.0	-48.60	365.89	6.71	-41.89
CC1(C)CCCOC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749372	0	46	-1.0	-48.43	338.46	5.16	-43.27
CC1(C)CCCOC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749372	1	46	-1.0	-48.48	338.51	5.18	-43.30
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749373	0	39	-1.0	-42.30	341.45	3.64	-38.66
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749373	1	39	-1.0	-42.26	341.51	3.67	-38.59
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749374	0	37	-1.0	-49.09	325.70	6.49	-42.60
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749374	1	37	-1.0	-49.13	325.76	6.51	-42.62
CC(=O)NC(COC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749375	0	46	-1.0	-53.28	359.08	2.60	-50.68
CC(=O)NC(COC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749375	1	46	-1.0	-53.28	359.14	2.62	-50.66
CC1(C)OCC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019749376	0	44	-1.0	-46.52	346.22	3.63	-42.89
CC1(C)OCC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019749376	1	44	-1.0	-46.51	346.28	3.65	-42.86
CCCCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019749377	0	50	-1.0	-39.25	397.77	7.75	-31.50
CCCCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019749377	1	50	-1.0	-39.23	397.82	7.78	-31.45
COC1=CC2=CC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300019749378	0	46	-1.0	-50.52	370.16	7.00	-43.52
COC1=CC2=CC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300019749378	1	46	-1.0	-50.56	370.22	7.03	-43.53
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749379	0	51	-1.0	-45.69	389.39	8.50	-37.19
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749379	1	51	-1.0	-45.65	389.45	8.53	-37.12
COC1=CC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300019749380	0	40	-1.0	-46.38	341.92	5.04	-41.34
COC1=CC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300019749380	1	40	-1.0	-46.41	341.97	5.06	-41.35
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749381	0	39	-1.0	-45.03	335.02	2.34	-42.69
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749381	1	39	-1.0	-45.01	335.08	2.37	-42.64
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749382	0	43	-1.0	-60.30	362.93	4.04	-56.26
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749382	1	43	-1.0	-60.30	362.99	4.07	-56.23
CC12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)OC2	REAL300019749383	0	44	-1.0	-45.07	322.96	4.17	-40.90
CC12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)OC2	REAL300019749383	1	44	-1.0	-45.07	323.02	4.20	-40.87
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749384	0	33	-1.0	-41.14	302.60	5.12	-36.02
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749384	1	33	-1.0	-41.13	302.66	5.15	-35.98
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749385	0	39	-1.0	-50.02	331.60	5.40	-44.62
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749385	1	39	-1.0	-50.05	331.66	5.42	-44.63
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749386	0	38	-1.0	-44.63	320.29	4.92	-39.71
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749386	1	38	-1.0	-44.59	320.23	4.90	-39.69
COC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019749387	0	42	-1.0	-41.74	354.11	4.78	-36.96
COC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019749387	1	42	-1.0	-41.76	354.16	4.80	-36.96
CC1=C(C)NC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749388	0	39	-1.0	-49.35	312.96	2.58	-46.77
CC1=C(C)NC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749388	1	39	-1.0	-49.34	313.02	2.61	-46.73
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749389	0	42	-1.0	-47.57	350.50	6.95	-40.62
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749389	1	42	-1.0	-47.59	350.56	6.97	-40.62
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(F)=C1	REAL300019749390	0	42	-1.0	-46.03	342.20	6.80	-39.23
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(F)=C1	REAL300019749390	1	42	-1.0	-45.98	342.26	6.83	-39.15
CC(C)(C)N1C=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019749391	0	45	-1.0	-51.50	357.54	5.28	-46.22
CC(C)(C)N1C=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019749391	1	45	-1.0	-51.48	357.48	5.26	-46.22
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749392	0	40	-1.0	-52.70	335.64	4.54	-48.16
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749392	1	40	-1.0	-52.69	335.70	4.57	-48.12
CC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)C(F)=C1	REAL300019749393	0	43	-1.0	-52.28	346.05	7.02	-45.26
CC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)C(F)=C1	REAL300019749393	1	43	-1.0	-52.27	346.11	7.05	-45.22
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019749394	0	33	-2.0	-94.81	300.09	3.20	-91.61
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300019749394	1	33	-2.0	-94.83	300.15	3.23	-91.60
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1CC	REAL300019749395	0	44	-1.0	-46.84	349.06	4.18	-42.66
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1CC	REAL300019749395	1	44	-1.0	-46.83	349.12	4.20	-42.63
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=NNC=N2)=N1	REAL300019749396	0	41	-1.0	-46.23	350.52	3.77	-42.46
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=NNC=N2)=N1	REAL300019749396	1	41	-1.0	-46.20	350.58	3.80	-42.40
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCCCC1	REAL300019749397	0	52	-1.0	-46.86	397.76	6.48	-40.38
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300019749397	1	52	-1.0	-46.85	397.82	6.51	-40.34
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749398	0	42	-1.0	-48.22	360.62	5.58	-42.64
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749398	1	42	-1.0	-48.21	360.57	5.55	-42.66
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749399	0	36	-1.0	-44.24	315.34	4.69	-39.55
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749399	1	36	-1.0	-44.24	315.40	4.72	-39.52
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749400	0	43	-1.0	-47.92	348.29	5.48	-42.44
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749400	1	43	-1.0	-47.89	348.35	5.51	-42.38
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749401	0	45	-1.0	-48.65	367.96	3.12	-45.53
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749401	1	45	-1.0	-48.66	368.02	3.14	-45.52
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749402	0	46	-1.0	-48.14	382.32	7.07	-41.07
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749402	1	46	-1.0	-48.11	382.38	7.10	-41.01
CC1=NNC2=C1CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300019749403	0	43	-1.0	-49.46	334.53	3.93	-45.53
CC1=NNC2=C1CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300019749403	1	43	-1.0	-49.44	334.59	3.95	-45.49
CC1=C2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=NN1	REAL300019749403	1	43	-1.0	-47.75	334.85	3.92	-43.83
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749404	0	44	-1.0	-50.84	354.50	4.62	-46.22
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749404	1	44	-1.0	-50.82	354.55	4.65	-46.17
CSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300019749405	0	39	-1.0	-44.78	334.23	5.99	-38.79
CSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300019749405	1	39	-1.0	-44.76	334.28	6.01	-38.75
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749406	0	43	-1.0	-46.60	339.10	5.46	-41.14
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749406	1	43	-1.0	-46.64	339.15	5.48	-41.16
C=C1CCC1(C(=O)OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749407	0	40	-1.0	-43.80	321.88	4.49	-39.31
C=C1CCC1(C(=O)OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749407	1	40	-1.0	-43.79	321.93	4.52	-39.27
NS(=O)(=O)C1=COC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749408	0	35	-1.0	-43.89	307.51	-2.47	-46.36
NS(=O)(=O)C1=COC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749408	1	35	-1.0	-43.86	307.57	-2.45	-46.31
N#CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN2C=C1	REAL300019749409	0	37	-1.0	-50.99	320.14	4.65	-46.34
N#CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN2C=C1	REAL300019749409	1	37	-1.0	-50.98	320.08	4.63	-46.35
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749410	0	39	-1.0	-47.15	347.14	6.71	-40.44
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749410	1	39	-1.0	-47.18	347.08	6.68	-40.50
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749411	0	43	-1.0	-47.64	355.54	5.73	-41.91
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749411	1	43	-1.0	-47.61	355.59	5.76	-41.85
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749412	0	47	-1.0	-56.15	370.28	3.43	-52.72
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749412	1	47	-1.0	-56.16	370.34	3.45	-52.71
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749413	0	37	-1.0	-43.70	320.35	3.61	-40.09
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749413	1	37	-1.0	-43.71	320.41	3.64	-40.07
C[C@@H]1CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NN=C2[C@H](C)O1	REAL300019749414	0	44	-1.0	-41.70	350.03	2.53	-39.17
C[C@@H]1CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NN=C2[C@H](C)O1	REAL300019749414	1	44	-1.0	-41.66	350.08	2.55	-39.11
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H](C)O1	REAL300019749414	1	44	-1.0	-42.00	344.81	2.97	-39.03
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H](C)O1	REAL300019749414	1	44	-1.0	-42.03	344.87	3.00	-39.03
O=C(CCC1=C(Br)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749415	0	36	-1.0	-45.16	325.74	5.87	-39.29
O=C(CCC1=C(Br)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749415	1	36	-1.0	-45.16	325.80	5.90	-39.26
O=C(CCNC1=CN=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749416	0	39	-1.0	-50.31	319.64	2.44	-47.87
O=C(CCNC1=CN=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749416	1	39	-1.0	-50.31	319.58	2.41	-47.90
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749417	0	39	-1.0	-53.76	338.01	5.56	-48.20
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749417	1	39	-1.0	-53.78	338.07	5.59	-48.19
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749417	1	39	-1.0	-52.31	337.86	5.56	-46.75
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749417	1	39	-1.0	-52.32	337.91	5.59	-46.73
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749418	0	54	-1.0	-39.34	404.89	7.53	-31.81
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749418	1	54	-1.0	-39.29	404.94	7.55	-31.74
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749419	0	42	-1.0	-48.99	350.08	6.10	-42.89
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749419	1	42	-1.0	-48.96	350.02	6.07	-42.89
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749420	0	40	-1.0	-49.16	346.11	5.52	-43.64
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749420	1	40	-1.0	-49.19	346.05	5.50	-43.69
O=C(C1CCCC(F)(F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749421	0	42	-1.0	-45.01	308.66	5.12	-39.89
O=C(C1CCCC(F)(F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749421	1	42	-1.0	-45.01	308.71	5.15	-39.86
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749422	0	40	-1.0	-49.38	322.96	3.94	-45.44
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749422	1	40	-1.0	-49.39	323.02	3.96	-45.43
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749423	0	41	-1.0	-61.34	339.94	6.10	-55.24
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749423	1	41	-1.0	-61.36	340.00	6.12	-55.24
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749424	0	40	-1.0	-48.44	331.95	6.68	-41.76
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749424	1	40	-1.0	-48.42	332.01	6.70	-41.72
O=C(CCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1	REAL300019749425	0	52	-1.0	-57.74	414.07	6.85	-50.89
O=C(CCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1	REAL300019749425	1	52	-1.0	-57.77	414.13	6.87	-50.90
O=C(C1CCC2=CC=NN2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749426	0	40	-1.0	-46.39	315.15	3.90	-42.49
O=C(C1CCC2=CC=NN2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749426	1	40	-1.0	-46.39	315.21	3.93	-42.46
O=C(C1=C2C=NSC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749427	0	35	-1.0	-49.10	301.25	4.53	-44.57
O=C(C1=C2C=NSC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749427	1	35	-1.0	-49.08	301.19	4.50	-44.58
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300019749428	0	39	-1.0	-53.30	343.43	2.43	-50.87
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300019749428	1	39	-1.0	-53.34	343.48	2.45	-50.89
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749429	0	39	-1.0	-47.03	343.40	6.42	-40.61
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749429	1	39	-1.0	-47.04	343.46	6.44	-40.60
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(F)C(Br)=C1F	REAL300019749430	0	35	-1.0	-39.90	314.47	3.20	-36.70
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(F)C(Br)=C1F	REAL300019749430	1	35	-1.0	-39.91	314.52	3.22	-36.69
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C2CC2)=NO1	REAL300019749431	0	41	-1.0	-42.95	325.40	4.19	-38.76
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C2CC2)=NO1	REAL300019749431	1	41	-1.0	-42.95	325.46	4.22	-38.73
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300019749432	0	49	-1.0	-44.56	394.16	2.91	-41.65
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300019749432	1	49	-1.0	-44.58	394.21	2.93	-41.65
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749433	0	38	-1.0	-39.11	327.41	5.25	-33.86
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749433	1	38	-1.0	-39.12	327.47	5.28	-33.84
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019749434	0	40	-1.0	-49.30	329.50	6.40	-42.90
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019749434	1	40	-1.0	-49.32	329.56	6.42	-42.90
CN(C)C1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300019749435	0	47	-1.0	-47.82	367.49	7.04	-40.78
CN(C)C1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300019749435	1	47	-1.0	-47.81	367.55	7.07	-40.74
COC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019749436	0	54	-1.0	-58.22	415.39	3.56	-54.66
COC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019749436	1	54	-1.0	-58.17	415.44	3.58	-54.59
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=NNN=C2)CCCC1	REAL300019749437	0	45	-1.0	-54.63	337.45	3.12	-51.51
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=NNN=C2)CCCC1	REAL300019749437	1	45	-1.0	-54.62	337.51	3.15	-51.47
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749438	0	54	-1.0	-46.39	406.72	6.51	-39.88
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749438	1	54	-1.0	-46.41	406.67	6.48	-39.93
C#CC1=CC=C(C2CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019749439	0	42	-1.0	-48.14	349.28	7.95	-40.19
C#CC1=CC=C(C2CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019749439	1	42	-1.0	-48.18	349.33	7.98	-40.20
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=N1	REAL300019749440	0	41	-1.0	-48.23	334.40	5.53	-42.70
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=N1	REAL300019749440	1	41	-1.0	-48.23	334.46	5.55	-42.68
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCC2)CC1(F)F	REAL300019749441	0	40	-1.0	-43.04	308.38	5.28	-37.76
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCC2)CC1(F)F	REAL300019749441	1	40	-1.0	-43.03	308.44	5.31	-37.72
CN1N=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300019749442	0	45	-1.0	-46.00	364.87	5.60	-40.40
CN1N=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300019749442	1	45	-1.0	-46.02	364.92	5.62	-40.40
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019749443	0	43	-1.0	-47.02	335.40	5.80	-41.22
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019749443	1	43	-1.0	-47.01	335.46	5.82	-41.19
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749444	0	53	-1.0	-56.27	402.68	3.82	-52.45
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749444	1	53	-1.0	-56.28	402.74	3.85	-52.43
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300019749445	0	49	-1.0	-52.46	396.34	5.17	-47.29
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300019749445	1	49	-1.0	-52.47	396.40	5.20	-47.27
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749446	0	49	-1.0	-53.49	376.66	4.54	-48.95
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749446	1	49	-1.0	-53.49	376.72	4.57	-48.92
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300019749447	0	59	-1.0	-46.55	434.22	4.63	-41.92
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300019749447	1	59	-1.0	-46.58	434.28	4.65	-41.93
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)(C2CC2)C1	REAL300019749448	0	57	-1.0	-52.82	417.02	5.97	-46.85
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)(C2CC2)C1	REAL300019749448	1	57	-1.0	-52.85	417.08	5.99	-46.86
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749449	0	38	-1.0	-58.68	310.80	0.62	-58.06
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749449	1	38	-1.0	-58.73	310.75	0.59	-58.14
CC=CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300019749450	0	48	-1.0	-54.45	385.60	7.08	-47.37
CC=CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300019749450	1	48	-1.0	-54.50	385.66	7.10	-47.40
O=C(C1CC(=O)CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749451	0	42	-1.0	-45.58	318.38	5.12	-40.46
O=C(C1CC(=O)CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749451	1	42	-1.0	-45.61	318.44	5.14	-40.47
CC1=CNC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300019749452	0	39	-1.0	-41.61	318.71	4.40	-37.21
CC1=CNC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300019749452	1	39	-1.0	-41.61	318.77	4.42	-37.19
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749453	0	57	-1.0	-52.12	430.58	4.58	-47.54
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749453	1	57	-1.0	-52.08	430.64	4.60	-47.48
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749454	0	57	-1.0	-53.98	412.92	5.95	-48.03
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749454	1	57	-1.0	-53.91	412.98	5.97	-47.94
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749455	0	40	-1.0	-47.98	334.25	3.11	-44.87
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749455	1	40	-1.0	-47.95	334.30	3.13	-44.82
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749456	0	50	-1.0	-52.63	373.49	7.07	-45.56
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749456	1	50	-1.0	-52.64	373.55	7.09	-45.55
CC1=NN=C(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)O1	REAL300019749457	0	44	-1.0	-52.32	365.40	1.83	-50.49
CC1=NN=C(CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)O1	REAL300019749457	1	44	-1.0	-52.33	365.46	1.85	-50.48
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749458	0	39	-1.0	-39.98	334.53	7.20	-32.78
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749458	1	39	-1.0	-40.00	334.59	7.22	-32.78
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749459	0	45	-1.0	-48.18	363.25	8.12	-40.06
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749459	1	45	-1.0	-48.21	363.31	8.15	-40.06
CC1=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C2C(F)=C1	REAL300019749460	0	41	-1.0	-45.53	338.53	5.46	-40.07
CC1=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C2C(F)=C1	REAL300019749460	1	41	-1.0	-45.50	338.47	5.44	-40.06
CN1C=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CO2)C=N1	REAL300019749461	0	39	-1.0	-48.03	330.81	1.84	-46.19
CN1C=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CO2)C=N1	REAL300019749461	1	39	-1.0	-48.03	330.75	1.81	-46.22
COC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C(C)C=C1	REAL300019749462	0	44	-1.0	-47.74	351.55	4.84	-42.90
COC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C(C)C=C1	REAL300019749462	1	44	-1.0	-47.75	351.61	4.87	-42.88
CCCCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019749463	0	49	-1.0	-48.56	389.03	7.24	-41.32
CCCCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019749463	1	49	-1.0	-48.59	389.08	7.27	-41.32
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019749464	0	50	-1.0	-54.25	405.33	3.56	-50.69
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019749464	1	50	-1.0	-54.24	405.39	3.59	-50.65
COC1=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300019749465	0	42	-1.0	-39.18	343.38	3.33	-35.85
COC1=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300019749465	1	42	-1.0	-39.20	343.32	3.30	-35.90
CC1=CN2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C2S1	REAL300019749466	0	36	-1.0	-47.46	307.57	4.74	-42.72
CC1=CN2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C2S1	REAL300019749466	1	36	-1.0	-47.46	307.51	4.71	-42.75
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749467	0	43	-1.0	-45.39	363.86	5.78	-39.61
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749467	1	43	-1.0	-45.38	363.91	5.81	-39.57
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749468	0	30	-1.0	-34.77	293.23	4.54	-30.23
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749468	1	30	-1.0	-34.78	293.29	4.56	-30.22
CC(C)(C)C1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749469	0	44	-1.0	-40.62	341.24	5.86	-34.76
CC(C)(C)C1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749469	1	44	-1.0	-40.60	341.19	5.83	-34.77
COC1CC2(C1)CCC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300019749470	0	50	-1.0	-47.88	373.47	5.50	-42.38
COC1CC2(C1)CCC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300019749470	1	50	-1.0	-47.87	373.53	5.53	-42.34
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749471	0	51	-1.0	-48.07	394.94	8.83	-39.24
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749471	1	51	-1.0	-48.04	395.00	8.85	-39.19
CCC(C)(C)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019749472	0	54	-1.0	-46.14	368.90	7.09	-39.05
CCC(C)(C)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019749472	1	54	-1.0	-46.10	368.96	7.12	-38.98
CC1=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C2C=C1	REAL300019749473	0	41	-1.0	-46.72	332.62	5.48	-41.24
CC1=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C2C=C1	REAL300019749473	1	41	-1.0	-46.69	332.56	5.45	-41.24
CN1C=C(C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NO2)N=N1	REAL300019749474	0	38	-1.0	-50.11	324.59	2.61	-47.50
CN1C=C(C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NO2)N=N1	REAL300019749474	1	38	-1.0	-50.14	324.64	2.64	-47.50
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749475	0	45	-1.0	-51.49	342.00	5.58	-45.91
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749475	1	45	-1.0	-51.49	342.06	5.60	-45.89
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749476	0	40	-1.0	-44.60	325.94	4.18	-40.42
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749476	1	40	-1.0	-44.58	326.00	4.20	-40.38
CCC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749477	0	48	-1.0	-48.56	366.51	7.80	-40.76
CCC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749477	1	48	-1.0	-48.58	366.57	7.82	-40.76
COC1(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300019749478	0	43	-1.0	-42.35	325.91	4.82	-37.53
COC1(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300019749478	1	43	-1.0	-42.37	325.97	4.84	-37.53
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749479	0	47	-1.0	-46.68	369.81	6.35	-40.33
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749479	1	47	-1.0	-46.69	369.87	6.37	-40.32
O=C(C1CC12CCC(F)(F)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749480	0	43	-1.0	-48.13	333.74	6.27	-41.86
O=C(C1CC12CCC(F)(F)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749480	1	43	-1.0	-48.13	333.80	6.29	-41.84
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1Br	REAL300019749481	0	35	-1.0	-43.05	304.49	4.54	-38.51
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1Br	REAL300019749481	1	35	-1.0	-43.02	304.44	4.52	-38.50
CN(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300019749482	0	43	-1.0	-44.98	350.90	5.71	-39.27
CN(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300019749482	1	43	-1.0	-45.02	350.95	5.74	-39.28
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749483	0	37	-1.0	-44.85	320.85	4.29	-40.56
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749483	1	37	-1.0	-44.84	320.79	4.27	-40.57
COC(=O)C1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749484	0	36	-1.0	-39.33	316.17	4.07	-35.26
COC(=O)C1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749484	1	36	-1.0	-39.32	316.23	4.10	-35.22
CC(C)(C)C1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749485	0	44	-1.0	-43.86	341.92	4.89	-38.97
CC(C)(C)C1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749485	1	44	-1.0	-43.84	341.87	4.87	-38.97
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749486	0	41	-1.0	-44.55	358.18	6.58	-37.97
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749486	1	41	-1.0	-44.59	358.23	6.61	-37.98
N#CC1=CC=C(C2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CO2)C=C1	REAL300019749487	0	40	-1.0	-49.74	345.80	3.19	-46.55
N#CC1=CC=C(C2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CO2)C=C1	REAL300019749487	1	40	-1.0	-49.73	345.75	3.17	-46.56
COC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300019749488	0	46	-1.0	-49.70	350.93	4.66	-45.04
COC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300019749488	1	46	-1.0	-49.74	350.98	4.68	-45.06
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749489	0	57	-1.0	-49.22	425.20	6.67	-42.55
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749489	1	57	-1.0	-49.26	425.25	6.70	-42.56
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019749490	0	43	-1.0	-44.77	355.43	6.50	-38.27
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019749490	1	43	-1.0	-44.76	355.49	6.52	-38.24
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749491	0	53	-1.0	-43.38	406.26	4.09	-39.29
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749491	1	53	-1.0	-43.37	406.32	4.12	-39.25
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN21	REAL300019749492	0	47	-1.0	-54.65	367.79	5.91	-48.74
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN21	REAL300019749492	1	47	-1.0	-54.62	367.73	5.88	-48.74
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCCN1C(=O)CCCC2	REAL300019749493	0	47	-1.0	-56.22	340.74	4.31	-51.91
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCCN1C(=O)CCCC2	REAL300019749493	1	47	-1.0	-56.26	340.79	4.33	-51.93
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019749494	0	43	-1.0	-47.58	349.02	7.18	-40.40
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019749494	1	43	-1.0	-47.60	349.07	7.21	-40.39
O=C(C1CCC2(CC2(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749495	0	40	-1.0	-50.10	319.05	5.63	-44.47
O=C(C1CCC2(CC2(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749495	1	40	-1.0	-50.13	319.11	5.65	-44.48
O=C(C1CCCC2C1C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749496	0	40	-1.0	-43.89	311.61	5.46	-38.43
O=C(C1CCCC2C1C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749496	1	40	-1.0	-43.87	311.67	5.49	-38.38
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749497	0	44	-1.0	-53.08	345.93	6.05	-47.03
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749497	1	44	-1.0	-53.06	345.99	6.07	-46.99
O=C(CCC1=CC=CC(Br)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749498	0	39	-1.0	-47.23	342.24	6.89	-40.34
O=C(CCC1=CC=CC(Br)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749498	1	39	-1.0	-47.25	342.29	6.91	-40.34
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749499	0	51	-1.0	-44.63	344.27	6.85	-37.78
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749499	1	51	-1.0	-44.60	344.32	6.87	-37.73
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL300019749500	0	51	-1.0	-47.78	397.27	4.07	-43.71
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL300019749500	1	51	-1.0	-47.84	397.33	4.10	-43.74
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)F)=NN1C	REAL300019749501	0	39	-1.0	-50.60	328.56	3.64	-46.96
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)F)=NN1C	REAL300019749501	1	39	-1.0	-50.56	328.62	3.66	-46.90
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749502	0	44	-1.0	-59.68	337.77	3.94	-55.74
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749502	1	44	-1.0	-59.66	337.83	3.96	-55.70
CCC1=CC=C(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300019749503	0	38	-1.0	-40.86	323.17	5.12	-35.74
CCC1=CC=C(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300019749503	1	38	-1.0	-40.84	323.22	5.15	-35.69
COC1=CC(Br)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300019749504	0	37	-1.0	-39.06	324.41	4.40	-34.66
COC1=CC(Br)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300019749504	1	37	-1.0	-39.05	324.47	4.43	-34.62
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749505	0	51	-1.0	-46.35	393.50	4.01	-42.34
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749505	1	51	-1.0	-46.33	393.56	4.04	-42.29
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749506	0	54	-1.0	-50.94	411.62	5.80	-45.14
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749506	1	54	-1.0	-50.94	411.67	5.82	-45.12
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C12COC2	REAL300019749507	0	55	-1.0	-51.94	406.70	4.10	-47.84
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C12COC2	REAL300019749507	1	55	-1.0	-51.96	406.76	4.13	-47.83
O=C(C1=CC(C2CCCC2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749508	0	43	-1.0	-37.67	333.39	4.36	-33.31
O=C(C1=CC(C2CCCC2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749508	1	43	-1.0	-37.72	333.44	4.39	-33.33
CC1(C)OC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2NC1=O	REAL300019749509	0	45	-1.0	-39.42	360.86	3.00	-36.42
CC1(C)OC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2NC1=O	REAL300019749509	1	45	-1.0	-39.43	360.92	3.02	-36.41
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749510	0	41	-1.0	-48.17	326.49	3.58	-44.59
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749510	1	41	-1.0	-48.16	326.55	3.60	-44.56
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300019749511	0	41	-1.0	-47.28	343.71	3.31	-43.97
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300019749511	1	41	-1.0	-47.24	343.76	3.33	-43.91
COC(=O)C1=CC=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300019749512	0	45	-1.0	-46.50	364.82	7.17	-39.33
COC(=O)C1=CC=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300019749512	1	45	-1.0	-46.51	364.88	7.19	-39.32
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749513	0	40	-1.0	-44.27	323.56	0.98	-43.29
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749513	1	40	-1.0	-44.27	323.61	1.00	-43.27
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC=C1C(F)F	REAL300019749514	0	38	-1.0	-41.62	312.85	4.88	-36.74
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC=C1C(F)F	REAL300019749514	1	38	-1.0	-41.67	312.91	4.91	-36.76
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749515	0	41	-1.0	-43.16	336.99	2.68	-40.48
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749515	1	41	-1.0	-43.18	337.04	2.70	-40.48
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749516	0	42	-1.0	-40.93	334.97	2.49	-38.44
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749516	1	42	-1.0	-40.92	334.91	2.47	-38.45
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749517	0	37	-1.0	-47.08	322.19	4.38	-42.70
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749517	1	37	-1.0	-47.07	322.13	4.36	-42.71
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749518	0	53	-1.0	-46.18	411.91	2.28	-43.90
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749518	1	53	-1.0	-46.13	411.97	2.31	-43.82
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749519	0	56	-1.0	-57.11	418.65	5.96	-51.15
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749519	1	56	-1.0	-57.13	418.70	5.98	-51.15
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749520	0	53	-1.0	-40.81	395.43	4.20	-36.61
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749520	1	53	-1.0	-40.79	395.48	4.23	-36.56
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749521	0	54	-1.0	-52.32	418.04	4.92	-47.40
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749521	1	54	-1.0	-52.37	418.09	4.94	-47.43
COC1=CC=CC=C1OC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749522	0	44	-1.0	-41.78	347.75	5.48	-36.30
COC1=CC=CC=C1OC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749522	1	44	-1.0	-41.80	347.80	5.51	-36.29
CC1=C(Cl)C=NN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749523	0	36	-1.0	-51.28	313.02	3.79	-47.49
CC1=C(Cl)C=NN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749523	1	36	-1.0	-51.23	313.08	3.81	-47.42
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C12CCC2	REAL300019749524	0	57	-1.0	-49.11	411.66	5.62	-43.49
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C12CCC2	REAL300019749524	1	57	-1.0	-49.07	411.72	5.64	-43.43
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749525	0	47	-1.0	-56.29	369.67	3.40	-52.89
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749525	1	47	-1.0	-56.25	369.73	3.42	-52.83
O=C(C1=C(F)C=C(Br)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019749526	0	35	-1.0	-49.84	326.68	6.20	-43.64
O=C(C1=C(F)C=C(Br)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300019749526	1	35	-1.0	-49.86	326.74	6.23	-43.63
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)N(C)C	REAL300019749527	0	47	-1.0	-55.63	370.37	2.84	-52.79
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)N(C)C	REAL300019749527	1	47	-1.0	-55.63	370.43	2.86	-52.77
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N2C=C(C)SC2=N1	REAL300019749528	0	42	-1.0	-45.46	356.64	6.29	-39.17
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N2C=C(C)SC2=N1	REAL300019749528	1	42	-1.0	-45.46	356.70	6.31	-39.15
O=C(C1CCC(C2CCCO2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749529	0	45	-1.0	-50.35	344.66	3.98	-46.37
O=C(C1CCC(C2CCCO2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749529	1	45	-1.0	-50.32	344.72	4.00	-46.32
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749530	0	54	-1.0	-56.68	404.02	5.99	-50.69
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749530	1	54	-1.0	-56.68	404.08	6.01	-50.67
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749531	0	36	-1.0	-47.59	324.29	5.81	-41.78
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749531	1	36	-1.0	-47.63	324.35	5.83	-41.80
CC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300019749532	0	38	-1.0	-45.96	320.65	5.68	-40.28
CC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300019749532	1	38	-1.0	-45.96	320.71	5.71	-40.25
CN1N=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300019749533	0	38	-1.0	-63.01	312.39	2.99	-60.02
CN1N=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300019749533	1	38	-1.0	-63.02	312.33	2.96	-60.06
O=C(C1=CN=C2OCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749534	0	40	-1.0	-45.85	318.52	1.89	-43.96
O=C(C1=CN=C2OCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749534	1	40	-1.0	-45.83	318.46	1.86	-43.97
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749535	0	38	-1.0	-41.55	321.13	3.87	-37.68
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749535	1	38	-1.0	-41.55	321.18	3.89	-37.66
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300019749536	0	42	-1.0	-40.62	345.46	7.02	-33.60
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300019749536	1	42	-1.0	-40.64	345.52	7.05	-33.59
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)S1	REAL300019749537	0	36	-1.0	-38.75	318.49	5.65	-33.10
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)S1	REAL300019749537	1	36	-1.0	-38.76	318.55	5.68	-33.08
O=C(C1CC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749538	0	41	-1.0	-48.16	324.45	6.75	-41.41
O=C(C1CC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749538	1	41	-1.0	-48.11	324.51	6.77	-41.34
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749539	0	44	-1.0	-51.50	366.02	0.96	-50.54
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749539	1	44	-1.0	-51.48	366.08	0.99	-50.49
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749540	0	39	-1.0	-38.82	346.04	6.85	-31.97
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749540	1	39	-1.0	-38.81	346.10	6.87	-31.94
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749541	0	46	-1.0	-48.00	376.93	8.24	-39.76
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749541	1	46	-1.0	-48.00	376.99	8.26	-39.74
CON(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019749542	0	50	-1.0	-47.19	393.63	4.84	-42.35
CON(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019749542	1	50	-1.0	-47.22	393.69	4.86	-42.36
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749543	0	35	-1.0	-44.38	311.35	2.27	-42.11
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749543	1	35	-1.0	-44.42	311.41	2.29	-42.13
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749544	0	46	-1.0	-40.08	367.70	3.23	-36.85
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749544	1	46	-1.0	-40.07	367.76	3.25	-36.82
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749545	0	38	-1.0	-47.68	309.02	4.77	-42.91
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749545	1	38	-1.0	-47.67	308.96	4.75	-42.92
COC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(F)C=N1	REAL300019749546	0	38	-1.0	-45.41	327.60	3.40	-42.01
COC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(F)C=N1	REAL300019749546	1	38	-1.0	-45.39	327.54	3.37	-42.02
CC1=CC2=C(OCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019749547	0	41	-1.0	-51.70	328.34	5.00	-46.70
CC1=CC2=C(OCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019749547	1	41	-1.0	-51.67	328.40	5.02	-46.65
O=C(C1=C2SC=CC2=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749548	0	35	-1.0	-47.53	302.15	3.99	-43.54
O=C(C1=C2SC=CC2=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749548	1	35	-1.0	-47.55	302.09	3.97	-43.58
COC1CC2(C1)CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300019749549	0	44	-1.0	-46.33	343.23	4.53	-41.80
COC1CC2(C1)CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300019749549	1	44	-1.0	-46.36	343.29	4.55	-41.81
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749550	0	49	-1.0	-48.56	386.08	6.92	-41.64
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749550	1	49	-1.0	-48.52	386.14	6.95	-41.57
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749551	0	40	-1.0	-46.73	350.57	7.56	-39.17
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749551	1	40	-1.0	-46.75	350.63	7.58	-39.17
O=C(CC1CCCNC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749552	0	43	-1.0	-61.10	326.88	2.31	-58.79
O=C(CC1CCCNC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749552	1	43	-1.0	-61.12	326.94	2.33	-58.79
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1C(F)(F)F	REAL300019749553	0	36	-1.0	-34.77	295.81	4.36	-30.41
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1C(F)(F)F	REAL300019749553	1	36	-1.0	-34.76	295.86	4.38	-30.38
O=C(C1CCCCC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749554	0	46	-1.0	-46.02	324.77	6.28	-39.74
O=C(C1CCCCC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749554	1	46	-1.0	-46.03	324.83	6.31	-39.72
CC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CO1)CCC2	REAL300019749555	0	44	-1.0	-45.14	319.17	3.66	-41.48
CC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CO1)CCC2	REAL300019749555	1	44	-1.0	-45.16	319.23	3.68	-41.48
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749556	0	49	-1.0	-48.19	372.10	8.20	-39.99
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749556	1	49	-1.0	-48.20	372.16	8.22	-39.98
O=C(CN1C=C(I)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749557	0	33	-1.0	-53.10	303.19	3.94	-49.16
O=C(CN1C=C(I)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749557	1	33	-1.0	-53.10	303.13	3.92	-49.18
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749558	0	36	-1.0	-44.81	314.53	5.30	-39.51
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749558	1	36	-1.0	-44.78	314.47	5.28	-39.50
CN1C=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300019749559	0	39	-1.0	-59.47	317.49	5.77	-53.70
CN1C=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300019749559	1	39	-1.0	-59.46	317.44	5.74	-53.72
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCCCC1C2(F)F	REAL300019749560	0	40	-1.0	-39.13	309.86	5.29	-33.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCCCC1C2(F)F	REAL300019749560	1	40	-1.0	-39.15	309.92	5.31	-33.84
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749561	0	43	-1.0	-42.42	358.22	5.73	-36.69
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749561	1	43	-1.0	-42.40	358.16	5.70	-36.70
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749562	0	39	-1.0	-47.54	325.09	3.13	-44.41
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749562	1	39	-1.0	-47.54	325.14	3.15	-44.39
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749563	0	43	-1.0	-54.70	356.25	0.83	-53.87
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749563	1	43	-1.0	-54.69	356.19	0.80	-53.89
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749564	0	33	-1.0	-39.86	310.12	0.48	-39.38
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749564	1	33	-1.0	-39.87	310.06	0.46	-39.41
COC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=NC=CC=C21	REAL300019749565	0	42	-1.0	-50.70	360.27	5.07	-45.63
COC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=NC=CC=C21	REAL300019749565	1	42	-1.0	-50.70	360.22	5.04	-45.66
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749566	0	48	-1.0	-49.11	386.60	4.77	-44.34
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749566	1	48	-1.0	-49.13	386.55	4.74	-44.39
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749567	0	54	-1.0	-44.54	408.93	5.24	-39.30
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749567	1	54	-1.0	-44.51	408.99	5.27	-39.24
CC(CN(C)C(=O)CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019758202	0	35	-1.0	-48.67	313.02	5.67	-43.00
CC(CN(C)C(=O)CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019758202	1	35	-1.0	-48.71	313.08	5.69	-43.02
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CC1(C)C)C1=N[N-]N=N1	REAL300019758203	0	45	-1.0	-47.46	349.43	7.06	-40.40
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CC1(C)C)C1=NN=N[N-]1	REAL300019758203	1	45	-1.0	-47.46	349.49	7.07	-40.39
CC(CN(C)C(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300019758204	0	39	-1.0	-44.68	342.88	5.31	-39.37
CC(CN(C)C(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300019758204	1	39	-1.0	-44.74	342.94	5.33	-39.41
CC(CN(C)C(=O)C1=CSC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019758205	0	32	-1.0	-52.20	290.38	4.11	-48.09
CC(CN(C)C(=O)C1=CSC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019758205	1	32	-1.0	-52.19	290.43	4.13	-48.06
CCCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019758206	0	44	-1.0	-46.91	361.01	7.41	-39.50
CCCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019758206	1	44	-1.0	-46.91	361.07	7.42	-39.49
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758207	0	49	-1.0	-45.44	387.05	4.09	-41.35
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758207	1	49	-1.0	-45.45	387.11	4.11	-41.34
CCC(NC1=CC=CN=C1Cl)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758208	0	42	-1.0	-51.61	339.43	2.99	-48.62
CCC(NC1=CC=CN=C1Cl)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758208	1	42	-1.0	-51.64	339.37	2.98	-48.66
CC(CN(C)C(=O)C1CS(=O)(=O)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019758209	0	38	-1.0	-51.83	323.11	0.69	-51.14
CC(CN(C)C(=O)C1CS(=O)(=O)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019758209	1	38	-1.0	-51.84	323.16	0.71	-51.13
CC(CN(C)C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)C1=N[N-]N=N1	REAL300019758210	0	56	-1.0	-40.23	385.23	6.74	-33.49
CC(CN(C)C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)C1=NN=N[N-]1	REAL300019758210	1	56	-1.0	-40.29	385.29	6.77	-33.52
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758211	0	40	-1.0	-48.19	344.16	3.44	-44.75
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758211	1	40	-1.0	-48.22	344.22	3.45	-44.77
CC(CN(C)C(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300019758212	0	41	-1.0	-50.06	351.92	4.66	-45.40
CC(CN(C)C(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300019758212	1	41	-1.0	-50.06	351.98	4.67	-45.39
COC1=CC=CC(C(OC)C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019758213	0	43	-1.0	-48.67	342.54	4.12	-44.55
COC1=CC=CC(C(OC)C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019758213	1	43	-1.0	-48.73	342.60	4.14	-44.59
COCCOCCOCCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758214	0	49	-1.0	-53.87	396.54	2.52	-51.35
COCCOCCOCCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758214	1	49	-1.0	-53.86	396.60	2.53	-51.33
COC1=CC2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2C=C1OC	REAL300019758215	0	46	-1.0	-49.72	368.51	5.57	-44.15
COC1=CC2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2C=C1OC	REAL300019758215	1	46	-1.0	-49.70	368.56	5.59	-44.11
CC(CN(C)C(=O)CC1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL300019758216	0	44	-1.0	-59.54	338.91	3.13	-56.41
CC(CN(C)C(=O)CC1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL300019758216	1	44	-1.0	-59.55	338.85	3.12	-56.43
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL300019758217	0	45	-2.0	-110.34	372.16	5.65	-104.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL300019758217	1	45	-2.0	-110.27	372.21	5.66	-104.61
CC(=O)NC1=CNC(=O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019758218	0	39	-1.0	-64.05	333.85	0.03	-64.02
CC(=O)NC1=CNC(=O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019758218	1	39	-1.0	-64.05	333.91	0.05	-64.00
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(N2C=CC=C2)S1	REAL300019758219	0	40	-1.0	-50.02	334.53	6.64	-43.38
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(N2C=CC=C2)S1	REAL300019758219	1	40	-1.0	-50.05	334.59	6.65	-43.40
CC(CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300019758220	0	38	-2.0	-99.82	320.22	3.84	-95.98
CC(CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300019758220	1	38	-2.0	-99.84	320.17	3.83	-96.01
CC(CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300019758220	1	38	-2.0	-98.46	319.82	3.91	-94.55
CC(CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300019758220	1	38	-2.0	-98.44	319.77	3.90	-94.54
CC(CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300019758221	0	35	-2.0	-77.21	306.08	1.70	-75.51
CC(CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300019758221	1	35	-2.0	-77.21	306.02	1.68	-75.53
CC(CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300019758221	1	35	-2.0	-77.19	306.15	1.71	-75.48
CC(CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300019758221	1	35	-2.0	-77.17	306.09	1.69	-75.48
CC(CN(C)C(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300019758222	0	44	-1.0	-59.73	375.86	4.19	-55.54
CC(CN(C)C(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300019758222	1	44	-1.0	-59.76	375.80	4.17	-55.59
CC(CN(C)C(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019758223	0	38	-1.0	-44.43	351.88	2.00	-42.43
CC(CN(C)C(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019758223	1	38	-1.0	-44.44	351.82	1.99	-42.45
CC(CN(C)C(=O)C1=C(C(F)(F)F)C=NN1)C1=N[N-]N=N1	REAL300019758224	0	32	-1.0	-41.03	283.39	1.47	-39.56
CC(CN(C)C(=O)C1=C(C(F)(F)F)C=NN1)C1=NN=N[N-]1	REAL300019758224	1	32	-1.0	-41.05	283.45	1.49	-39.56
CC(CN(C)C(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300019758225	0	38	-2.0	-95.83	324.45	-0.38	-96.21
CC(CN(C)C(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300019758225	1	38	-2.0	-95.87	324.51	-0.36	-96.23
CC(CN(C)C(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=NN=N[N-]1	REAL300019758226	0	44	-1.0	-47.72	356.95	5.07	-42.65
CC(CN(C)C(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=N[N-]N=N1	REAL300019758226	1	44	-1.0	-47.71	356.89	5.05	-42.66
CC(CN(C)C(=O)CC1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL300019758227	0	46	-1.0	-49.93	354.64	3.59	-46.34
CC(CN(C)C(=O)CC1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL300019758227	1	46	-1.0	-49.97	354.70	3.61	-46.36
CC(CN(C)C(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL300019758228	0	56	-1.0	-41.76	402.85	6.99	-34.77
CC(CN(C)C(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL300019758228	1	56	-1.0	-41.73	402.90	7.00	-34.73
CC(CN(C)C(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300019758229	0	43	-1.0	-43.06	343.56	1.63	-41.43
CC(CN(C)C(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300019758229	1	43	-1.0	-43.07	343.62	1.64	-41.43
CC(CN(C)C(=O)C1=C2C(=CN=C1)N=CN2C)C1=N[N-]N=N1	REAL300019758230	0	37	-1.0	-43.63	305.34	3.56	-40.07
CC(CN(C)C(=O)C1=C2C(=CN=C1)N=CN2C)C1=NN=N[N-]1	REAL300019758230	1	37	-1.0	-43.61	305.39	3.57	-40.04
CC(CN(C)C(=O)C1CCCN1C1=NC=CC=N1)C1=NN=N[N-]1	REAL300019758231	0	42	-1.0	-45.85	329.45	3.12	-42.73
CC(CN(C)C(=O)C1CCCN1C1=NC=CC=N1)C1=N[N-]N=N1	REAL300019758231	1	42	-1.0	-45.80	329.39	3.10	-42.70
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(I)=NN1	REAL300019758232	0	32	-1.0	-43.92	297.89	2.16	-41.76
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(I)=NN1	REAL300019758232	1	32	-1.0	-43.92	297.95	2.18	-41.74
CC(CN(C)C(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019758233	0	41	-1.0	-46.24	334.50	5.22	-41.02
CC(CN(C)C(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019758233	1	41	-1.0	-46.30	334.56	5.23	-41.07
CC(CN(C)C(=O)CCC1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019758234	0	40	-1.0	-48.65	335.33	0.49	-48.16
CC(CN(C)C(=O)CCC1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019758234	1	40	-1.0	-48.65	335.39	0.51	-48.14
CC(C)N1C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C2CCOCC2)=N1	REAL300019758235	0	52	-1.0	-49.72	401.07	4.60	-45.12
CC(C)N1C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C2CCOCC2)=N1	REAL300019758235	1	52	-1.0	-49.71	401.12	4.62	-45.09
CC(CN(C)C(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=N[N-]N=N1	REAL300019758236	0	50	-1.0	-50.41	393.84	0.72	-49.69
CC(CN(C)C(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=NN=N[N-]1	REAL300019758236	1	50	-1.0	-50.41	393.89	0.73	-49.68
CC(=O)NC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=N1	REAL300019758237	0	38	-1.0	-53.12	316.39	2.66	-50.46
CC(=O)NC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=N1	REAL300019758237	1	38	-1.0	-53.14	316.33	2.64	-50.50
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758238	0	52	-1.0	-42.95	391.97	6.53	-36.42
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758238	1	52	-1.0	-42.95	392.03	6.55	-36.40
CC(CN(C)C(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=NN=N[N-]1	REAL300019758239	0	41	-1.0	-51.72	341.01	7.15	-44.57
CC(CN(C)C(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=N[N-]N=N1	REAL300019758239	1	41	-1.0	-51.77	340.95	7.13	-44.64
CC(CN(C)C(=O)C1=NC=C2C(F)=CC=CN21)C1=NN=N[N-]1	REAL300019758240	0	35	-1.0	-45.24	297.01	5.59	-39.65
CC(CN(C)C(=O)C1=NC=C2C(F)=CC=CN21)C1=N[N-]N=N1	REAL300019758240	1	35	-1.0	-45.25	296.96	5.57	-39.68
CC(CN(C)C(=O)CC1=CNC2=CC=C(Br)C=C12)C1=N[N-]N=N1	REAL300019758241	0	39	-1.0	-51.21	343.70	5.79	-45.42
CC(CN(C)C(=O)CC1=CNC2=CC=C(Br)C=C12)C1=NN=N[N-]1	REAL300019758241	1	39	-1.0	-51.21	343.76	5.80	-45.41
CC(CN(C)C(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300019758242	0	40	-1.0	-51.81	339.83	4.24	-47.57
CC(CN(C)C(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300019758242	1	40	-1.0	-51.86	339.88	4.26	-47.60
CC(CN(C)C(=O)C1=CC2=C(CCCC2O)NC1=O)C1=N[N-]N=N1	REAL300019758243	0	43	-1.0	-56.12	344.47	0.42	-55.70
CC(CN(C)C(=O)C1=CC2=C(CCCC2O)NC1=O)C1=NN=N[N-]1	REAL300019758243	1	43	-1.0	-56.07	344.53	0.43	-55.64
CC(CN(C)C(=O)CCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019758244	0	41	-1.0	-50.16	343.92	4.48	-45.68
CC(CN(C)C(=O)CCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019758244	1	41	-1.0	-50.12	343.97	4.49	-45.63
CC(CN(C)C(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=N[N-]N=N1	REAL300019758245	0	37	-1.0	-44.02	321.42	0.43	-43.59
CC(CN(C)C(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=NN=N[N-]1	REAL300019758245	1	37	-1.0	-44.09	321.48	0.45	-43.64
CC(CN(C)C(=O)C1=CNN=C1I)C1=N[N-]N=N1	REAL300019758246	0	29	-1.0	-46.59	271.49	1.39	-45.20
CC(CN(C)C(=O)C1=CNN=C1I)C1=NN=N[N-]1	REAL300019758246	1	29	-1.0	-46.62	271.55	1.41	-45.21
CC1=CC=C(NC2=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)N=CS2)C=C1	REAL300019758247	0	43	-1.0	-44.05	359.11	5.64	-38.41
CC1=CC=C(NC2=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)N=CS2)C=C1	REAL300019758247	1	43	-1.0	-44.04	359.06	5.62	-38.42
CC(CN(C)C(=O)C1(C2=CC=NC=C2)CCC1)C1=NN=N[N-]1	REAL300019758248	0	41	-1.0	-44.99	316.61	4.40	-40.59
CC(CN(C)C(=O)C1(C2=CC=NC=C2)CCC1)C1=N[N-]N=N1	REAL300019758248	1	41	-1.0	-45.01	316.55	4.38	-40.63
CC(CN(C)C(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=N[N-]N=N1	REAL300019758249	0	35	-1.0	-45.05	308.20	-0.92	-45.97
CC(CN(C)C(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=NN=N[N-]1	REAL300019758249	1	35	-1.0	-45.06	308.26	-0.90	-45.96
CC(CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=N[N-]N=N1	REAL300019758250	0	54	-1.0	-43.75	403.76	2.72	-41.03
CC(CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=NN=N[N-]1	REAL300019758250	1	54	-1.0	-43.74	403.82	2.74	-41.00
C#CCN(CC(=O)N(C)CC(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019758251	0	47	-1.0	-55.27	379.85	5.55	-49.72
C#CCN(CC(=O)N(C)CC(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019758251	1	47	-1.0	-55.31	379.91	5.56	-49.75
CC(CN(C)C(=O)C1=NC=CN=C1SCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019758252	0	44	-1.0	-46.74	374.80	6.62	-40.12
CC(CN(C)C(=O)C1=NC=CN=C1SCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019758252	1	44	-1.0	-46.75	374.74	6.60	-40.15
CC(CN(C)C(=O)CC1CCCS1(=O)=O)C1=N[N-]N=N1	REAL300019758253	0	38	-1.0	-60.09	308.55	1.09	-59.00
CC(CN(C)C(=O)CC1CCCS1(=O)=O)C1=NN=N[N-]1	REAL300019758253	1	38	-1.0	-60.10	308.61	1.10	-59.00
CC(CN(C)C(=O)C1=CC2=CC=CC=C2OC1C(F)(F)F)C1=N[N-]N=N1	REAL300019758254	0	41	-1.0	-43.87	349.56	5.67	-38.20
CC(CN(C)C(=O)C1=CC2=CC=CC=C2OC1C(F)(F)F)C1=NN=N[N-]1	REAL300019758254	1	41	-1.0	-43.90	349.62	5.68	-38.22
CC1=CC=C(C(=O)C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019758255	0	41	-1.0	-45.36	343.43	6.18	-39.18
CC1=CC=C(C(=O)C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019758255	1	41	-1.0	-45.36	343.49	6.19	-39.17
CC(CN(C)C(=O)C1=CC=C2NC=NC2=C1F)C1=N[N-]N=N1	REAL300019758256	0	35	-1.0	-56.54	296.94	3.76	-52.78
CC(CN(C)C(=O)C1=CC=C2NC=NC2=C1F)C1=NN=N[N-]1	REAL300019758256	1	35	-1.0	-56.56	297.00	3.78	-52.78
CC(CN(C)C(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=NN=N[N-]1	REAL300019758257	0	39	-1.0	-59.47	325.07	3.98	-55.49
CC(CN(C)C(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=N[N-]N=N1	REAL300019758257	1	39	-1.0	-59.43	325.01	3.96	-55.47
CC1=CC=CC=C1NC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=CS1	REAL300019758258	0	43	-1.0	-44.30	356.88	5.76	-38.54
CC1=CC=CC=C1NC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=CS1	REAL300019758258	1	43	-1.0	-44.27	356.82	5.74	-38.53
CCN1C(Br)=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758259	0	35	-1.0	-44.00	303.10	3.82	-40.18
CCN1C(Br)=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758259	1	35	-1.0	-44.02	303.04	3.80	-40.22
CC(CN(C)C(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=N[N-]N=N1	REAL300019758260	0	35	-1.0	-53.54	312.79	2.16	-51.38
CC(CN(C)C(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=NN=N[N-]1	REAL300019758260	1	35	-1.0	-53.53	312.84	2.18	-51.35
CC(CN(C)C(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019758261	0	47	-1.0	-49.94	387.17	0.49	-49.45
CC(CN(C)C(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019758261	1	47	-1.0	-49.90	387.23	0.50	-49.40
CC(CN(C)C(=O)C1=CN2C=CN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019758262	0	35	-1.0	-47.00	318.79	5.42	-41.58
CC(CN(C)C(=O)C1=CN2C=CN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019758262	1	35	-1.0	-47.01	318.73	5.41	-41.60
CC(CN(C)C(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=N[N-]N=N1	REAL300019758263	0	51	-1.0	-44.50	407.44	3.44	-41.06
CC(CN(C)C(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NN=N[N-]1	REAL300019758263	1	51	-1.0	-44.52	407.50	3.46	-41.06
CC(CN(C)C(=O)C1=CC(I)=NN1C)C1=NN=N[N-]1	REAL300019758264	0	32	-1.0	-42.77	289.68	2.79	-39.98
CC(CN(C)C(=O)C1=CC(I)=NN1C)C1=N[N-]N=N1	REAL300019758264	1	32	-1.0	-42.78	289.62	2.77	-40.01
CC(CN(C)C(=O)C(C)(C)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300019758265	0	42	-1.0	-49.29	333.09	6.22	-43.07
CC(CN(C)C(=O)C(C)(C)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300019758265	1	42	-1.0	-49.31	333.14	6.24	-43.07
CC(CN(C)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019758266	0	55	-1.0	-47.87	414.15	4.24	-43.63
CC(CN(C)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019758266	1	55	-1.0	-47.84	414.20	4.25	-43.59
CC(=CC1=CC=C(Br)O1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758267	0	36	-1.0	-45.85	322.68	5.14	-40.71
CC(=CC1=CC=C(Br)O1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758267	1	36	-1.0	-45.86	322.74	5.15	-40.71
CC(CN(C)C(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=NN=N[N-]1	REAL300019758268	0	42	-1.0	-48.09	364.47	4.93	-43.16
CC(CN(C)C(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=N[N-]N=N1	REAL300019758268	1	42	-1.0	-48.11	364.41	4.91	-43.20
CC(CN(C)C(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=N[N-]N=N1	REAL300019758269	0	38	-1.0	-54.93	317.23	3.86	-51.07
CC(CN(C)C(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=NN=N[N-]1	REAL300019758269	1	38	-1.0	-54.94	317.29	3.88	-51.06
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1C	REAL300019758270	0	51	-1.0	-53.31	412.13	8.67	-44.64
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1C	REAL300019758270	1	51	-1.0	-53.33	412.19	8.68	-44.65
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019758271	0	48	-1.0	-52.86	387.25	7.67	-45.19
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019758271	1	48	-1.0	-52.85	387.30	7.69	-45.16
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758272	0	48	-1.0	-59.67	394.53	8.00	-51.67
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758272	1	48	-1.0	-59.69	394.59	8.01	-51.68
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019758273	0	51	-1.0	-52.12	421.17	8.84	-43.28
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019758273	1	51	-1.0	-52.16	421.23	8.85	-43.31
CC(CN(C)C(=O)C1=CC(Br)=CC(C=O)=C1)C1=N[N-]N=N1	REAL300019758274	0	34	-1.0	-49.44	308.48	4.39	-45.05
CC(CN(C)C(=O)C1=CC(Br)=CC(C=O)=C1)C1=NN=N[N-]1	REAL300019758274	1	34	-1.0	-49.47	308.54	4.40	-45.07
CC(CN(C)C(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=NN=N[N-]1	REAL300019758275	0	39	-1.0	-46.27	321.78	-0.41	-46.68
CC(CN(C)C(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=N[N-]N=N1	REAL300019758275	1	39	-1.0	-46.22	321.73	-0.42	-46.64
CC(CN(C)C(=O)C1=CN2C(C=O)=CN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019758276	0	37	-1.0	-51.93	331.17	4.74	-47.19
CC(CN(C)C(=O)C1=CN2C(C=O)=CN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019758276	1	37	-1.0	-51.94	331.11	4.73	-47.21
CC(CN(C)C(=O)[C@]1(C2=CC=CC=C2)C[C@H](O)C1)C1=N[N-]N=N1	REAL300019758277	0	43	-1.0	-50.48	334.28	3.41	-47.07
CC(CN(C)C(=O)[C@]1(C2=CC=CC=C2)C[C@H](O)C1)C1=NN=N[N-]1	REAL300019758277	1	43	-1.0	-50.44	334.34	3.43	-47.01
CC(CN(C)C(=O)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019758278	0	48	-1.0	-44.81	399.22	2.41	-42.40
CC(CN(C)C(=O)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019758278	1	48	-1.0	-44.80	399.28	2.42	-42.38
CC(CN(C)C(=O)C1=C(C(F)F)N=C2CCCCN21)C1=N[N-]N=N1	REAL300019758279	0	42	-1.0	-46.95	343.86	5.09	-41.86
CC(CN(C)C(=O)C1=C(C(F)F)N=C2CCCCN21)C1=NN=N[N-]1	REAL300019758279	1	42	-1.0	-46.93	343.91	5.11	-41.82
CC(CN(C)C(=O)C1=CN=C2SC=CC2=C1)C1=NN=N[N-]1	REAL300019758280	0	34	-1.0	-48.09	295.88	3.53	-44.56
CC(CN(C)C(=O)C1=CN=C2SC=CC2=C1)C1=N[N-]N=N1	REAL300019758280	1	34	-1.0	-48.08	295.82	3.52	-44.56
CC(CN(C)C(=O)CC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL300019758281	0	31	-1.0	-48.55	280.34	3.44	-45.11
CC(CN(C)C(=O)CC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL300019758281	1	31	-1.0	-48.53	280.39	3.45	-45.08
CC(CN(C)C(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NN=N[N-]1	REAL300019758282	0	34	-1.0	-42.01	306.04	3.59	-38.42
CC(CN(C)C(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=N[N-]N=N1	REAL300019758282	1	34	-1.0	-42.01	305.99	3.58	-38.43
CC(CN(C)C(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300019758283	0	46	-1.0	-57.71	380.65	3.50	-54.21
CC(CN(C)C(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300019758283	1	46	-1.0	-57.71	380.71	3.52	-54.19
CC(CN(C)C(=O)C1=COC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019758284	0	31	-1.0	-41.40	283.91	1.13	-40.27
CC(CN(C)C(=O)C1=COC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019758284	1	31	-1.0	-41.37	283.85	1.12	-40.25
CC(CN(C)C(=O)C1=NN2C=C(Br)C=NC2=C1)C1=NN=N[N-]1	REAL300019758285	0	34	-1.0	-46.22	310.74	4.12	-42.10
CC(CN(C)C(=O)C1=NN2C=C(Br)C=NC2=C1)C1=N[N-]N=N1	REAL300019758285	1	34	-1.0	-46.23	310.69	4.10	-42.13
COC1=CC=C(C=O)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758286	0	38	-1.0	-48.26	317.63	3.46	-44.80
COC1=CC=C(C=O)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758286	1	38	-1.0	-48.29	317.69	3.48	-44.81
CC(CN(C)C(=O)C1CN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL300019758287	0	37	-1.0	-50.44	316.25	-0.62	-51.06
CC(CN(C)C(=O)C1CN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL300019758287	1	37	-1.0	-50.51	316.31	-0.60	-51.11
CC(CN(C)C(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019758288	0	42	-1.0	-45.93	350.75	7.26	-38.67
CC(CN(C)C(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019758288	1	42	-1.0	-45.90	350.81	7.27	-38.63
CC(CN(C)C(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019758289	0	45	-1.0	-43.65	371.42	6.59	-37.06
CC(CN(C)C(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019758289	1	45	-1.0	-43.63	371.36	6.57	-37.06
CC(CN(C)C(=O)[C@H]1CC[C@@H](CN2C=NC3=C(N)N=CN=C32)O1)C1=N[N-]N=N1	REAL300019758290	0	49	-1.0	-54.28	397.56	5.67	-48.61
CC(CN(C)C(=O)[C@H]1CC[C@@H](CN2C=NC3=C(N)N=CN=C32)O1)C1=NN=N[N-]1	REAL300019758290	1	49	-1.0	-54.24	397.61	5.68	-48.56
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758291	0	44	-1.0	-44.69	370.61	3.66	-41.03
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758291	1	44	-1.0	-44.68	370.67	3.68	-41.00
CC1=NC(C2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)S2)=CS1	REAL300019758292	0	38	-1.0	-44.78	340.67	4.50	-40.28
CC1=NC(C2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)S2)=CS1	REAL300019758292	1	38	-1.0	-44.76	340.62	4.49	-40.27
CC(CN(C)C(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019758293	0	48	-1.0	-51.16	395.37	6.68	-44.48
CC(CN(C)C(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019758293	1	48	-1.0	-51.20	395.43	6.69	-44.51
CC(CN(C)C(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300019758294	0	46	-1.0	-49.42	365.35	6.99	-42.43
CC(CN(C)C(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300019758294	1	46	-1.0	-49.41	365.40	7.01	-42.40
CC(CN(C)C(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300019758295	0	44	-1.0	-55.68	356.74	1.06	-54.62
CC(CN(C)C(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300019758295	1	44	-1.0	-55.66	356.80	1.08	-54.58
CC(CN(C)C(=O)C1(C2=CC=NC3=CC=CC=C32)CC1)C1=NN=N[N-]1	REAL300019758296	0	44	-1.0	-46.24	350.94	6.17	-40.07
CC(CN(C)C(=O)C1(C2=CC=NC3=CC=CC=C32)CC1)C1=N[N-]N=N1	REAL300019758296	1	44	-1.0	-46.16	350.89	6.16	-40.00
CC(CN(C)C(=O)C1(C2CCCCO2)CCC1)C1=N[N-]N=N1	REAL300019758297	0	46	-1.0	-48.16	337.93	4.81	-43.35
CC(CN(C)C(=O)C1(C2CCCCO2)CCC1)C1=NN=N[N-]1	REAL300019758297	1	46	-1.0	-48.14	337.99	4.83	-43.31
CC(CN(C)C(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1)C1=N[N-]N=N1	REAL300019758298	0	44	-1.0	-46.10	352.54	6.97	-39.13
CC(CN(C)C(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1)C1=NN=N[N-]1	REAL300019758298	1	44	-1.0	-46.13	352.59	6.98	-39.15
CC(CN(C)C(=O)C(C)(C)C1=CC=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019758299	0	43	-1.0	-60.43	347.34	5.49	-54.94
CC(CN(C)C(=O)C(C)(C)C1=CC=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019758299	1	43	-1.0	-60.37	347.29	5.47	-54.90
COC1=CC=C(F)C(OC)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758300	0	40	-1.0	-52.80	328.79	2.84	-49.96
COC1=CC=C(F)C(OC)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758300	1	40	-1.0	-52.82	328.85	2.85	-49.97
COC1=CC=NC(OC)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758301	0	39	-1.0	-49.23	325.68	0.38	-48.85
COC1=CC=NC(OC)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758301	1	39	-1.0	-49.25	325.62	0.36	-48.89
CC(CN(C)C(=O)[C@@H]1CCO[C@H]1C1=CC=NN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019758302	0	53	-1.0	-46.16	412.84	7.11	-39.05
CC(CN(C)C(=O)[C@@H]1CCO[C@H]1C1=CC=NN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019758302	1	53	-1.0	-46.13	412.90	7.12	-39.01
COC(=O)C1=NN(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019758303	0	38	-1.0	-44.11	318.26	2.39	-41.72
COC(=O)C1=NN(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019758303	1	38	-1.0	-44.09	318.20	2.38	-41.71
COC(=O)[C@@H]1O[C@@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)C[C@H]1C	REAL300019758304	0	42	-1.0	-54.15	339.42	4.47	-49.68
COC(=O)[C@@H]1O[C@@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)C[C@H]1C	REAL300019758304	1	42	-1.0	-54.13	339.47	4.49	-49.64
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019758305	0	53	-1.0	-44.04	411.23	8.24	-35.80
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019758305	1	53	-1.0	-44.03	411.29	8.26	-35.77
COC1=CC=CC=C1NC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019758306	0	48	-1.0	-44.42	382.55	5.79	-38.63
COC1=CC=CC=C1NC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019758306	1	48	-1.0	-44.41	382.60	5.81	-38.60
COC1=CC=C(NC2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2)C(OC)=C1	REAL300019758307	0	52	-1.0	-46.53	413.72	5.13	-41.40
COC1=CC=C(NC2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2)C(OC)=C1	REAL300019758307	1	52	-1.0	-46.57	413.78	5.15	-41.42
CC(CN(C)C(=O)C1=CC=C(NC2=CC=CC=C2C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019758308	0	56	-1.0	-44.85	422.88	9.22	-35.63
CC(CN(C)C(=O)C1=CC=C(NC2=CC=CC=C2C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019758308	1	56	-1.0	-44.86	422.94	9.24	-35.62
CC(CN(C)C(=O)C=CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300019758309	0	33	-1.0	-45.27	306.72	5.32	-39.95
CC(CN(C)C(=O)C=CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300019758309	1	33	-1.0	-45.28	306.78	5.34	-39.94
CC(CN(C)C(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300019758310	0	40	-1.0	-51.42	344.36	5.48	-45.94
CC(CN(C)C(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300019758310	1	40	-1.0	-51.44	344.42	5.49	-45.95
CC(CN(C)C(=O)C1=NN(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019758311	0	43	-1.0	-44.79	341.24	3.33	-41.46
CC(CN(C)C(=O)C1=NN(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019758311	1	43	-1.0	-44.82	341.18	3.32	-41.50
CC(CN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=N[N-]N=N1	REAL300019758312	0	45	-1.0	-44.49	339.34	5.00	-39.49
CC(CN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NN=N[N-]1	REAL300019758312	1	45	-1.0	-44.43	339.40	5.01	-39.42
CC(CN(C)C(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=N[N-]N=N1	REAL300019758313	0	40	-1.0	-45.03	344.63	7.54	-37.49
CC(CN(C)C(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=NN=N[N-]1	REAL300019758313	1	40	-1.0	-45.08	344.69	7.56	-37.52
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300019758314	0	42	-1.0	-45.93	346.34	6.71	-39.22
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300019758314	1	42	-1.0	-45.95	346.40	6.73	-39.22
CC(CN(C)C(=O)C1CNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019758315	0	40	-1.0	-53.96	324.69	2.56	-51.40
CC(CN(C)C(=O)C1CNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019758315	1	40	-1.0	-53.94	324.75	2.57	-51.37
CC(CN(C)C(=O)CC1CCC(F)(F)CC1)C1=N[N-]N=N1	REAL300019758316	0	41	-1.0	-43.51	321.22	5.52	-37.99
CC(CN(C)C(=O)CC1CCC(F)(F)CC1)C1=NN=N[N-]1	REAL300019758316	1	41	-1.0	-43.54	321.27	5.53	-38.01
CC1=CN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1C(F)(F)F	REAL300019758317	0	38	-1.0	-58.83	332.41	4.10	-54.73
CC1=CN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1C(F)(F)F	REAL300019758317	1	38	-1.0	-58.84	332.36	4.08	-54.76
CC(CN(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019758318	0	46	-1.0	-48.56	361.19	-1.40	-49.96
CC(CN(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019758318	1	46	-1.0	-48.55	361.25	-1.39	-49.94
COC1=CC(CO)=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758319	0	40	-1.0	-52.58	326.68	1.04	-51.54
COC1=CC(CO)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758319	1	40	-1.0	-52.57	326.73	1.05	-51.52
CC(CN(C)C(=O)CC1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL300019758320	0	46	-1.0	-47.52	347.95	3.45	-44.07
CC(CN(C)C(=O)CC1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL300019758320	1	46	-1.0	-47.48	348.00	3.47	-44.01
COC1=CC(OC)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1C=O	REAL300019758321	0	42	-1.0	-49.14	345.15	3.10	-46.04
COC1=CC(OC)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1C=O	REAL300019758321	1	42	-1.0	-49.14	345.20	3.12	-46.02
CC(CN(C)C(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019758322	0	44	-1.0	-58.45	365.41	5.28	-53.17
CC(CN(C)C(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019758322	1	44	-1.0	-58.42	365.47	5.30	-53.12
CC(CN(C)C(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019758323	0	47	-1.0	-53.32	386.91	6.06	-47.26
CC(CN(C)C(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019758323	1	47	-1.0	-53.32	386.97	6.08	-47.24
CC(CN(C)C(=O)CC(O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019758324	0	46	-1.0	-55.90	377.21	3.79	-52.11
CC(CN(C)C(=O)CC(O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019758324	1	46	-1.0	-55.86	377.26	3.81	-52.05
CC(CN(C)C(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=N[N-]N=N1	REAL300019758325	0	43	-1.0	-52.69	354.25	5.39	-47.30
CC(CN(C)C(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=NN=N[N-]1	REAL300019758325	1	43	-1.0	-52.71	354.30	5.41	-47.30
CC(CN(C)C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019758326	0	52	-1.0	-53.37	395.87	5.16	-48.21
CC(CN(C)C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019758326	1	52	-1.0	-53.35	395.93	5.18	-48.17
CC(CN(C)C(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019758327	0	38	-1.0	-48.28	331.61	6.32	-41.96
CC(CN(C)C(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019758327	1	38	-1.0	-48.30	331.56	6.31	-41.99
CC(CN(C)C(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=N[N-]N=N1	REAL300019758328	0	42	-1.0	-60.86	344.47	2.38	-58.48
CC(CN(C)C(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NN=N[N-]1	REAL300019758328	1	42	-1.0	-60.86	344.53	2.40	-58.46
CC(CN(C)C(=O)C1=CN2CC(C)CCC2=N1)C1=N[N-]N=N1	REAL300019758329	0	42	-1.0	-45.26	331.14	5.74	-39.52
CC(CN(C)C(=O)C1=CN2CC(C)CCC2=N1)C1=NN=N[N-]1	REAL300019758329	1	42	-1.0	-45.29	331.19	5.75	-39.54
CC(CN(C)C(=O)C1=CC=CC=C1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300019758330	0	41	-1.0	-46.31	338.02	5.67	-40.64
CC(CN(C)C(=O)C1=CC=CC=C1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300019758330	1	41	-1.0	-46.26	337.96	5.66	-40.60
CC(CN(C)C(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019758331	0	46	-1.0	-49.64	373.69	9.02	-40.62
CC(CN(C)C(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019758331	1	46	-1.0	-49.67	373.74	9.04	-40.63
CC(CN(C)C(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300019758332	0	42	-1.0	-54.80	335.46	3.26	-51.54
CC(CN(C)C(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300019758332	1	42	-1.0	-54.84	335.40	3.25	-51.59
CC(CN(C)C(=O)CC1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL300019758333	0	38	-1.0	-52.94	322.29	0.18	-52.76
CC(CN(C)C(=O)CC1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL300019758333	1	38	-1.0	-52.92	322.23	0.17	-52.75
CC1=C(C)C(=O)N(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)C1=O	REAL300019758334	0	42	-1.0	-50.72	352.92	3.73	-46.99
CC1=C(C)C(=O)N(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)C1=O	REAL300019758334	1	42	-1.0	-50.75	352.97	3.75	-47.00
CC(CN(C)C(=O)C1CC2CSCC(C1)C2=O)C1=N[N-]N=N1	REAL300019758335	0	42	-1.0	-44.44	321.73	4.73	-39.71
CC(CN(C)C(=O)C1CC2CSCC(C1)C2=O)C1=NN=N[N-]1	REAL300019758335	1	42	-1.0	-44.42	321.79	4.74	-39.68
CCOC(=O)C1CCCN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL300019758336	0	49	-1.0	-44.10	382.16	4.02	-40.08
CCOC(=O)C1CCCN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019758336	1	49	-1.0	-44.12	382.22	4.03	-40.09
CCOC(=O)C1CCC[N@H+](CC(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019758336	1	50	0.0	-62.38	376.65	5.74	-56.64
CCOC(=O)C1CCC[N@@H+](CC(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019758336	1	50	0.0	-62.39	376.65	5.75	-56.64
CCC(C)C(C(=O)N(C)CC(C)C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300019758337	0	47	-1.0	-45.44	360.53	5.93	-39.51
CCC(C)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300019758337	1	47	-1.0	-45.45	360.59	5.94	-39.51
CC(CN(C)C(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019758338	0	52	0.0	-61.59	366.26	4.68	-56.91
CC(CN(C)C(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019758338	1	52	0.0	-61.56	366.32	4.70	-56.86
CC(CN(C)C(=O)C1CCC(N2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019758338	1	51	-1.0	-48.73	361.88	2.33	-46.40
CC(CN(C)C(=O)C1CCC(N2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019758338	1	51	-1.0	-48.74	361.93	2.35	-46.39
CC1=NNC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C(F)(F)F	REAL300019758339	0	35	-1.0	-42.68	303.12	1.99	-40.69
CC1=NNC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C(F)(F)F	REAL300019758339	1	35	-1.0	-42.73	303.18	2.01	-40.72
CC(CN(C)C(=O)C1=CC(F)=C(C=O)C=C1F)C1=N[N-]N=N1	REAL300019758340	0	34	-1.0	-47.75	299.04	3.92	-43.83
CC(CN(C)C(=O)C1=CC(F)=C(C=O)C=C1F)C1=NN=N[N-]1	REAL300019758340	1	34	-1.0	-47.78	299.10	3.94	-43.84
CC(CN(C)C(=O)C1N(C(=O)OCC2=CC=CC=C2)CC1(C)C)C1=N[N-]N=N1	REAL300019758341	0	53	-1.0	-50.05	427.60	6.85	-43.20
CC(CN(C)C(=O)C1N(C(=O)OCC2=CC=CC=C2)CC1(C)C)C1=NN=N[N-]1	REAL300019758341	1	53	-1.0	-50.09	427.65	6.86	-43.23
CC(CN(C)C(=O)C1=CC=C2OCCN(C)C2=C1)C1=N[N-]N=N1	REAL300019758342	0	42	-1.0	-49.04	329.82	2.67	-46.37
CC(CN(C)C(=O)C1=CC=C2OCCN(C)C2=C1)C1=NN=N[N-]1	REAL300019758342	1	42	-1.0	-48.99	329.87	2.68	-46.31
CC(CN(C)C(=O)C1=CN2CCC(C)CC2=N1)C1=N[N-]N=N1	REAL300019758343	0	42	-1.0	-45.34	330.85	5.74	-39.60
CC(CN(C)C(=O)C1=CN2CCC(C)CC2=N1)C1=NN=N[N-]1	REAL300019758343	1	42	-1.0	-45.35	330.91	5.76	-39.59
CC(CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300019758344	0	48	0.0	-59.50	335.35	3.48	-56.02
CC(CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300019758344	1	48	0.0	-59.47	335.40	3.50	-55.97
CC(CN(C)C(=O)COC1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL300019760202	0	39	-1.0	-54.70	329.31	6.02	-48.68
CC(CN(C)C(=O)COC1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL300019760202	1	39	-1.0	-54.72	329.36	6.04	-48.68
CC(CN(C)C(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=N[N-]N=N1	REAL300019760203	0	39	-1.0	-48.61	323.05	6.27	-42.34
CC(CN(C)C(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=NN=N[N-]1	REAL300019760203	1	39	-1.0	-48.62	323.10	6.29	-42.33
CC1=NC(C2CC2)=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760204	0	40	-1.0	-43.96	325.77	4.28	-39.68
CC1=NC(C2CC2)=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760204	1	40	-1.0	-43.96	325.82	4.29	-39.67
CCOC1=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)SC2=NC=C1	REAL300019760205	0	41	-1.0	-45.99	345.58	3.76	-42.23
CCOC1=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)SC2=NC=C1	REAL300019760205	1	41	-1.0	-46.00	345.52	3.74	-42.26
CC1=NC(C2CCOCC2)=NC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760206	0	47	-1.0	-44.07	369.24	3.36	-40.71
CC1=NC(C2CCOCC2)=NC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760206	1	47	-1.0	-44.02	369.30	3.37	-40.65
COC(=O)CC[C@H](CC(=O)N(C)CC(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019760207	0	57	-1.0	-53.43	445.59	4.47	-48.96
COC(=O)CC[C@H](CC(=O)N(C)CC(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019760207	1	57	-1.0	-53.41	445.64	4.49	-48.92
CC(CN(C)C(=O)C1N(C(=O)OC(C)(C)C)CCC12CC2)C1=N[N-]N=N1	REAL300019760208	0	53	-1.0	-50.77	402.54	5.68	-45.09
CC(CN(C)C(=O)C1N(C(=O)OC(C)(C)C)CCC12CC2)C1=NN=N[N-]1	REAL300019760208	1	53	-1.0	-50.78	402.60	5.69	-45.09
CC(CN(C)C(=O)C1(C2=CCN(C(=O)OC(C)(C)C)CC2)CC1)C1=N[N-]N=N1	REAL300019760209	0	57	-1.0	-45.83	433.76	6.82	-39.01
CC(CN(C)C(=O)C1(C2=CCN(C(=O)OC(C)(C)C)CC2)CC1)C1=NN=N[N-]1	REAL300019760209	1	57	-1.0	-45.83	433.82	6.83	-39.00
CC(CN(C)C(=O)C1CC2CC1C1C2C1(F)F)C1=N[N-]N=N1	REAL300019760210	0	40	-1.0	-45.44	309.93	5.51	-39.93
CC(CN(C)C(=O)C1CC2CC1C1C2C1(F)F)C1=NN=N[N-]1	REAL300019760210	1	40	-1.0	-45.47	309.98	5.53	-39.94
CC(CN(C)C(=O)C1C2CC1(C1=CN=CS1)CC2)C1=NN=N[N-]1	REAL300019760211	0	42	-1.0	-49.81	341.54	5.06	-44.75
CC(CN(C)C(=O)C1C2CC1(C1=CN=CS1)CC2)C1=N[N-]N=N1	REAL300019760211	1	42	-1.0	-49.82	341.49	5.04	-44.78
CC(CN(C)C(=O)C1CCC2(CC1)COCCO2)C1=N[N-]N=N1	REAL300019760212	0	47	-1.0	-46.42	344.97	3.42	-43.00
CC(CN(C)C(=O)C1CCC2(CC1)COCCO2)C1=NN=N[N-]1	REAL300019760212	1	47	-1.0	-46.44	345.03	3.43	-43.01
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CCCCCC1)C1=N[N-]N=N1	REAL300019760213	0	58	-1.0	-48.85	408.56	6.39	-42.46
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CCCCCC1)C1=NN=N[N-]1	REAL300019760213	1	58	-1.0	-48.88	408.62	6.40	-42.48
CC(CN(C)C(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL300019760214	0	35	-1.0	-47.26	319.56	5.53	-41.73
CC(CN(C)C(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL300019760214	1	35	-1.0	-47.23	319.62	5.55	-41.68
CC(CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019760215	0	58	-1.0	-50.32	432.07	4.92	-45.40
CC(CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019760215	1	58	-1.0	-50.29	432.13	4.93	-45.36
CC(CN(C)C(=O)C(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019760216	0	61	-1.0	-48.31	431.69	6.36	-41.95
CC(CN(C)C(=O)C(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019760216	1	61	-1.0	-48.24	431.75	6.38	-41.86
CC(CN(C)C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=N[N-]N=N1	REAL300019760217	0	43	-1.0	-48.45	348.42	7.08	-41.37
CC(CN(C)C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=NN=N[N-]1	REAL300019760217	1	43	-1.0	-48.46	348.48	7.10	-41.36
CC(CN(C)C(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL300019760218	0	38	-1.0	-57.30	324.63	-2.14	-59.44
CC(CN(C)C(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL300019760218	1	38	-1.0	-57.30	324.57	-2.15	-59.45
CC1=NN(C2=CC=CC=C2C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760219	0	42	-1.0	-56.52	340.83	6.26	-50.26
CC1=NN(C2=CC=CC=C2C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760219	1	42	-1.0	-56.48	340.89	6.28	-50.20
CC(CN(C)C(=O)C1(C2=C(F)C=CC=C2Cl)CCC1)C1=N[N-]N=N1	REAL300019760220	0	42	-1.0	-43.46	334.75	6.54	-36.92
CC(CN(C)C(=O)C1(C2=C(F)C=CC=C2Cl)CCC1)C1=NN=N[N-]1	REAL300019760220	1	42	-1.0	-43.45	334.80	6.56	-36.89
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=C(Br)O1	REAL300019760221	0	35	-1.0	-41.12	314.82	4.47	-36.65
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=C(Br)O1	REAL300019760221	1	35	-1.0	-41.12	314.88	4.49	-36.63
CC(CN(C)C(=O)[C@H]1[C@@H]2C[C@@]1(C1=CC=NN1C)CC2)C1=NN=N[N-]1	REAL300019760222	0	46	-1.0	-51.98	351.40	5.30	-46.68
CC(CN(C)C(=O)[C@H]1[C@@H]2C[C@@]1(C1=CC=NN1C)CC2)C1=N[N-]N=N1	REAL300019760222	1	46	-1.0	-52.00	351.34	5.29	-46.71
CC(CN(C)C(=O)C12CC(C)(C1)OC21CCC1)C1=N[N-]N=N1	REAL300019760223	0	44	-1.0	-46.72	327.97	4.08	-42.64
CC(CN(C)C(=O)C12CC(C)(C1)OC21CCC1)C1=NN=N[N-]1	REAL300019760223	1	44	-1.0	-46.74	328.03	4.09	-42.65
CC(CN(C)C(=O)C12CC(C)(C1)OC21CCOCC1)C1=N[N-]N=N1	REAL300019760224	0	48	-1.0	-49.16	349.88	2.74	-46.42
CC(CN(C)C(=O)C12CC(C)(C1)OC21CCOCC1)C1=NN=N[N-]1	REAL300019760224	1	48	-1.0	-49.15	349.94	2.76	-46.39
CC(CN(C)C(=O)[C@H]1[C@H]2CCC[C@H]2CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760225	0	56	-1.0	-51.66	405.06	6.72	-44.94
CC(CN(C)C(=O)[C@H]1[C@H]2CCC[C@H]2CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760225	1	56	-1.0	-51.66	405.12	6.73	-44.93
CC(CN(C)C(=O)C1=CC2=C(CCCNC2=O)O1)C1=N[N-]N=N1	REAL300019760226	0	40	-1.0	-48.67	324.91	1.83	-46.84
CC(CN(C)C(=O)C1=CC2=C(CCCNC2=O)O1)C1=NN=N[N-]1	REAL300019760226	1	40	-1.0	-48.69	324.96	1.84	-46.85
CC(CN(C)C(=O)C1=NNC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300019760227	0	35	-1.0	-46.94	298.49	3.42	-43.52
CC(CN(C)C(=O)C1=NNC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300019760227	1	35	-1.0	-46.92	298.54	3.44	-43.48
COC1=CC=C(C23CC(CC2)C3C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760228	0	50	-1.0	-46.00	386.50	7.15	-38.85
COC1=CC=C(C23CC(CC2)C3C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760228	1	50	-1.0	-45.99	386.56	7.16	-38.83
CC(CN(C)C(=O)C1(C2CCOCC2)CCOCC1)C1=N[N-]N=N1	REAL300019760229	0	50	-1.0	-47.24	339.19	2.53	-44.71
CC(CN(C)C(=O)C1(C2CCOCC2)CCOCC1)C1=NN=N[N-]1	REAL300019760229	1	50	-1.0	-47.24	339.24	2.55	-44.69
CC(CN(C)C(=O)C1=CC=CC=C1C1CC1(F)F)C1=N[N-]N=N1	REAL300019760230	0	39	-1.0	-48.34	320.04	6.07	-42.27
CC(CN(C)C(=O)C1=CC=CC=C1C1CC1(F)F)C1=NN=N[N-]1	REAL300019760230	1	39	-1.0	-48.32	320.09	6.08	-42.24
CC(CN(C)C(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300019760231	0	36	-1.0	-44.35	306.20	2.88	-41.47
CC(CN(C)C(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300019760231	1	36	-1.0	-44.35	306.26	2.89	-41.46
CC(CN(C)C(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019760232	0	36	-1.0	-47.60	311.92	3.00	-44.60
CC(CN(C)C(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019760232	1	36	-1.0	-47.59	311.98	3.01	-44.58
CCC1=NN(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1Cl	REAL300019760233	0	38	-1.0	-41.65	331.73	3.76	-37.89
CCC1=NN(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1Cl	REAL300019760233	1	38	-1.0	-41.68	331.79	3.77	-37.91
CC(CN(C)C(=O)CSC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019760234	0	36	-1.0	-50.23	315.36	5.68	-44.55
CC(CN(C)C(=O)CSC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019760234	1	36	-1.0	-50.24	315.41	5.69	-44.55
CC(CN(C)C(=O)C1=CC2=C(C=C(Br)O2)N1)C1=N[N-]N=N1	REAL300019760235	0	33	-1.0	-42.61	296.97	3.41	-39.20
CC(CN(C)C(=O)C1=CC2=C(C=C(Br)O2)N1)C1=NN=N[N-]1	REAL300019760235	1	33	-1.0	-42.59	297.02	3.43	-39.16
CC(CN(C)C(=O)C1CCC(=O)N1CCC(F)(F)F)C1=N[N-]N=N1	REAL300019760236	0	42	-1.0	-51.27	348.88	4.06	-47.21
CC(CN(C)C(=O)C1CCC(=O)N1CCC(F)(F)F)C1=NN=N[N-]1	REAL300019760236	1	42	-1.0	-51.25	348.94	4.08	-47.17
CC1=C(Cl)C=C(Br)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760237	0	35	-1.0	-42.39	319.78	5.74	-36.65
CC1=C(Cl)C=C(Br)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760237	1	35	-1.0	-42.39	319.84	5.75	-36.64
CC(CN(C)C(=O)C1CC(=O)NC2=NC=CC=C21)C1=NN=N[N-]1	REAL300019760238	0	39	-1.0	-52.57	316.09	2.20	-50.37
CC(CN(C)C(=O)C1CC(=O)NC2=NC=CC=C21)C1=N[N-]N=N1	REAL300019760238	1	39	-1.0	-52.60	316.04	2.19	-50.41
CC1=NC(C2CC2)=NC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760239	0	43	-1.0	-41.34	347.47	4.79	-36.55
CC1=NC(C2CC2)=NC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760239	1	43	-1.0	-41.34	347.53	4.80	-36.54
CCC1=NC(C)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=N1	REAL300019760240	0	42	-1.0	-43.33	342.61	3.84	-39.49
CCC1=NC(C)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=N1	REAL300019760240	1	42	-1.0	-43.36	342.67	3.86	-39.50
CC(C)C1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300019760241	0	41	-1.0	-45.25	354.99	5.57	-39.68
CC(C)C1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300019760241	1	41	-1.0	-45.24	355.05	5.58	-39.66
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300019760242	0	38	-1.0	-45.40	333.37	4.92	-40.48
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300019760242	1	38	-1.0	-45.43	333.42	4.93	-40.50
CC(CN(C)C(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=N[N-]N=N1	REAL300019760243	0	47	-1.0	-49.77	369.54	6.05	-43.72
CC(CN(C)C(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NN=N[N-]1	REAL300019760243	1	47	-1.0	-49.76	369.60	6.07	-43.69
CC(CN(C)C(=O)C1=CC(C2CC2)=NNC1=O)C1=N[N-]N=N1	REAL300019760244	0	38	-1.0	-54.29	322.32	2.06	-52.23
CC(CN(C)C(=O)C1=CC(C2CC2)=NNC1=O)C1=NN=N[N-]1	REAL300019760244	1	38	-1.0	-54.27	322.37	2.07	-52.20
CC(CN(C)C(=O)C1(CC2=CC=C(F)C=C2)CCCO1)C1=N[N-]N=N1	REAL300019760245	0	46	-1.0	-47.11	349.11	5.94	-41.17
CC(CN(C)C(=O)C1(CC2=CC=C(F)C=C2)CCCO1)C1=NN=N[N-]1	REAL300019760245	1	46	-1.0	-47.11	349.17	5.95	-41.16
CC1=CC(C)=C2NC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC2=C1	REAL300019760246	0	42	-1.0	-43.38	337.48	5.92	-37.46
CC1=CC(C)=C2NC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC2=C1	REAL300019760246	1	42	-1.0	-43.40	337.54	5.94	-37.46
CC1=NC2=C(NC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C2)S1	REAL300019760247	0	35	-1.0	-45.11	301.80	2.54	-42.57
CC1=NC2=C(NC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C2)S1	REAL300019760247	1	35	-1.0	-45.12	301.86	2.56	-42.56
CC(CN(C)C(=O)C1=NNC2=C1COC2(C)C)C1=N[N-]N=N1	REAL300019760248	0	40	-1.0	-44.45	323.46	1.72	-42.73
CC(CN(C)C(=O)C1=NNC2=C1COC2(C)C)C1=NN=N[N-]1	REAL300019760248	1	40	-1.0	-44.42	323.52	1.73	-42.69
CC(CN(C)C(=O)C1=C2COC(C)(C)C2=NN1)C1=N[N-]N=N1	REAL300019760248	1	40	-1.0	-41.30	327.24	1.27	-40.03
CC(CN(C)C(=O)C1=C2COC(C)(C)C2=NN1)C1=NN=N[N-]1	REAL300019760248	1	40	-1.0	-41.26	327.30	1.29	-39.97
CC(CN(C)C(=O)C1=CC(C2CCOCC2)=NN1)C1=N[N-]N=N1	REAL300019760249	0	43	-1.0	-42.57	337.54	2.35	-40.22
CC(CN(C)C(=O)C1=CC(C2CCOCC2)=NN1)C1=NN=N[N-]1	REAL300019760249	1	43	-1.0	-42.57	337.59	2.37	-40.20
CC(CN(C)C(=O)C1=CN(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL300019760250	0	42	-1.0	-47.07	329.52	4.45	-42.62
CC(CN(C)C(=O)C1=CN(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL300019760250	1	42	-1.0	-47.11	329.46	4.43	-42.68
CC(CN(C)C(=O)C1(C(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL300019760251	0	50	-1.0	-42.83	367.74	6.25	-36.58
CC(CN(C)C(=O)C1(C(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL300019760251	1	50	-1.0	-42.84	367.80	6.27	-36.57
COC1=CC=C(N2N=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C2C(C)C)C=C1	REAL300019760252	0	52	-1.0	-48.06	399.97	5.77	-42.29
COC1=CC=C(N2N=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C2C(C)C)C=C1	REAL300019760252	1	52	-1.0	-48.10	400.02	5.79	-42.31
CC(CN(C)C(=O)C1=NOC2=C1CC(F)(F)CC2)C1=N[N-]N=N1	REAL300019760253	0	38	-1.0	-46.59	315.38	4.82	-41.77
CC(CN(C)C(=O)C1=NOC2=C1CC(F)(F)CC2)C1=NN=N[N-]1	REAL300019760253	1	38	-1.0	-46.58	315.44	4.84	-41.74
CC(CN(C)C(=O)CCN1C=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019760254	0	41	-1.0	-49.62	339.61	6.30	-43.32
CC(CN(C)C(=O)CCN1C=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019760254	1	41	-1.0	-49.65	339.55	6.28	-43.37
CC1=CC([N+](=O)[O-])=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1F	REAL300019760255	0	37	-1.0	-48.31	318.02	6.26	-42.05
CC1=CC([N+](=O)[O-])=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1F	REAL300019760255	1	37	-1.0	-48.32	318.08	6.28	-42.04
CC(CN(C)C(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300019760256	0	38	-1.0	-59.86	333.87	2.20	-57.66
CC(CN(C)C(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300019760256	1	38	-1.0	-59.96	333.92	2.21	-57.75
COC1=CC=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)NC2=N1	REAL300019760257	0	39	-1.0	-42.91	321.77	2.38	-40.53
COC1=CC=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)NC2=N1	REAL300019760257	1	39	-1.0	-42.94	321.82	2.39	-40.55
COC(=O)C1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)S1	REAL300019760258	0	38	-1.0	-45.63	325.22	4.50	-41.13
COC(=O)C1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)S1	REAL300019760258	1	38	-1.0	-45.60	325.27	4.52	-41.08
CC(CN(C)C(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=N[N-]N=N1	REAL300019760259	0	45	-1.0	-52.66	363.95	1.87	-50.79
CC(CN(C)C(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=NN=N[N-]1	REAL300019760259	1	45	-1.0	-52.68	364.01	1.89	-50.79
CC(CN(C)C(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=NN=N[N-]1	REAL300019760260	0	35	-1.0	-50.86	310.71	4.40	-46.46
CC(CN(C)C(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=N[N-]N=N1	REAL300019760260	1	35	-1.0	-50.87	310.65	4.39	-46.48
COC(=O)C1=CC2=C(S1)SC(C(=O)N(C)CC(C)C1=N[N-]N=N1)=C2	REAL300019760261	0	38	-1.0	-47.31	347.09	5.18	-42.13
COC(=O)C1=CC2=C(S1)SC(C(=O)N(C)CC(C)C1=NN=N[N-]1)=C2	REAL300019760261	1	38	-1.0	-47.26	347.15	5.20	-42.06
CC(CN(C)C(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=N[N-]N=N1	REAL300019760262	0	41	-1.0	-52.30	350.55	4.41	-47.89
CC(CN(C)C(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=NN=N[N-]1	REAL300019760262	1	41	-1.0	-52.31	350.61	4.43	-47.88
CC(CN(C)C(=O)CSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019760263	0	36	-1.0	-49.56	325.68	6.12	-43.44
CC(CN(C)C(=O)CSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019760263	1	36	-1.0	-49.53	325.73	6.13	-43.40
COCC1=CN=C(OC)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760264	0	42	-1.0	-50.43	346.36	1.16	-49.27
COCC1=CN=C(OC)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760264	1	42	-1.0	-50.42	346.31	1.14	-49.28
CC1=CC=C2C(=C1)C=CN2CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760265	0	45	-1.0	-46.17	366.01	7.78	-38.39
CC1=CC=C2C(=C1)C=CN2CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760265	1	45	-1.0	-46.14	366.06	7.80	-38.34
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)OC2=CC=C(Br)C=C21	REAL300019760266	0	41	-1.0	-42.77	354.98	7.00	-35.77
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)OC2=CC=C(Br)C=C21	REAL300019760266	1	41	-1.0	-42.82	355.03	7.02	-35.80
COC1=CC=C(C(C)=CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760267	0	43	-1.0	-45.89	348.90	5.71	-40.18
COC1=CC=C(C(C)=CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760267	1	43	-1.0	-45.89	348.96	5.72	-40.17
CC(CN(C)C(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300019760268	0	41	-1.0	-49.24	332.12	4.34	-44.90
CC(CN(C)C(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300019760268	1	41	-1.0	-49.22	332.17	4.36	-44.86
COC1=CC=C(C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C(F)F)C=C1	REAL300019760269	0	45	-1.0	-46.24	363.63	5.79	-40.45
COC1=CC=C(C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C(F)F)C=C1	REAL300019760269	1	45	-1.0	-46.26	363.69	5.81	-40.45
COC1=CC2=C(OCC2)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760270	0	41	-1.0	-48.09	331.11	3.22	-44.87
COC1=CC2=C(OCC2)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760270	1	41	-1.0	-48.08	331.17	3.24	-44.84
CC1=CC(=O)N(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL300019760271	0	40	-1.0	-52.71	332.27	4.52	-48.19
CC1=CC(=O)N(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL300019760271	1	40	-1.0	-52.71	332.32	4.54	-48.17
CC(CN(C)C(=O)C1=C2OC=CC2=CC=C1Cl)C1=N[N-]N=N1	REAL300019760272	0	35	-1.0	-48.22	309.46	4.92	-43.30
CC(CN(C)C(=O)C1=C2OC=CC2=CC=C1Cl)C1=NN=N[N-]1	REAL300019760272	1	35	-1.0	-48.21	309.52	4.94	-43.27
CC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C2=CC=C(F)C=C2)S1	REAL300019760273	0	41	-1.0	-48.70	360.81	5.79	-42.91
CC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C2=CC=C(F)C=C2)S1	REAL300019760273	1	41	-1.0	-48.76	360.87	5.81	-42.95
CC1=CSC2=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)N=CN=C12	REAL300019760274	0	36	-1.0	-42.31	311.58	5.05	-37.26
CC1=CSC2=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)N=CN=C12	REAL300019760274	1	36	-1.0	-42.33	311.52	5.04	-37.29
CC(CN(C)C(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019760275	0	46	-1.0	-46.08	365.17	4.45	-41.63
CC(CN(C)C(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019760275	1	46	-1.0	-46.10	365.23	4.47	-41.63
CC(CN(C)C(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019760276	0	49	-1.0	-61.42	392.32	2.64	-58.78
CC(CN(C)C(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019760276	1	49	-1.0	-61.36	392.38	2.66	-58.70
CC(CN(C)C(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760277	0	53	-1.0	-52.18	415.35	4.92	-47.26
CC(CN(C)C(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760277	1	53	-1.0	-52.19	415.40	4.94	-47.25
CC(CN(C)C(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760278	0	52	-1.0	-46.86	398.65	3.84	-43.02
CC(CN(C)C(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760278	1	52	-1.0	-46.87	398.71	3.86	-43.01
CC(CN(C)C(=O)C(CC1=CC=CS1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760279	0	52	-1.0	-40.11	403.49	4.08	-36.03
CC(CN(C)C(=O)C(CC1=CC=CS1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760279	1	52	-1.0	-40.12	403.55	4.10	-36.02
CC(CN(C)C(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760280	0	55	-1.0	-49.97	426.19	4.73	-45.24
CC(CN(C)C(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760280	1	55	-1.0	-49.98	426.25	4.74	-45.24
CC(CN(C)C(=O)CCOCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760281	0	52	-1.0	-48.33	412.38	2.02	-46.31
CC(CN(C)C(=O)CCOCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760281	1	52	-1.0	-48.33	412.44	2.04	-46.29
CC(CN(C)C(=O)CC1=NN=C2COCCN12)C1=N[N-]N=N1	REAL300019760282	0	39	-1.0	-59.97	319.23	2.57	-57.40
CC(CN(C)C(=O)CC1=NN=C2COCCN12)C1=NN=N[N-]1	REAL300019760282	1	39	-1.0	-59.90	319.29	2.58	-57.32
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(N)C(OC)=C1OC	REAL300019760283	0	46	-1.0	-45.12	371.53	1.53	-43.59
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(N)C(OC)=C1OC	REAL300019760283	1	46	-1.0	-45.12	371.58	1.54	-43.58
CC(CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300019760284	0	34	-1.0	-41.35	309.25	3.21	-38.14
CC(CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300019760284	1	34	-1.0	-41.38	309.31	3.23	-38.15
CC(CN(C)C(=O)C1=CC(Br)=CC=C1N)C1=N[N-]N=N1	REAL300019760285	0	34	-1.0	-40.64	296.14	2.77	-37.87
CC(CN(C)C(=O)C1=CC(Br)=CC=C1N)C1=NN=N[N-]1	REAL300019760285	1	34	-1.0	-40.66	296.20	2.78	-37.88
CC(CN(C)C(=O)C1=CC(I)=CC=C1N)C1=N[N-]N=N1	REAL300019760286	0	34	-1.0	-40.43	302.62	3.25	-37.18
CC(CN(C)C(=O)C1=CC(I)=CC=C1N)C1=NN=N[N-]1	REAL300019760286	1	34	-1.0	-40.44	302.68	3.26	-37.18
CC(CN(C)C(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=N[N-]N=N1	REAL300019760287	0	37	-1.0	-42.40	309.06	3.32	-39.08
CC(CN(C)C(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=NN=N[N-]1	REAL300019760287	1	37	-1.0	-42.39	309.12	3.34	-39.05
CC1=CC(Br)=C(N)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760288	0	37	-1.0	-43.91	316.73	3.52	-40.39
CC1=CC(Br)=C(N)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760288	1	37	-1.0	-43.86	316.79	3.53	-40.33
CC(CN(C)C(=O)C1=CC(F)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019760289	0	34	-1.0	-41.38	303.03	2.91	-38.47
CC(CN(C)C(=O)C1=CC(F)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019760289	1	34	-1.0	-41.40	303.09	2.93	-38.47
CC(CN(C)C(=O)C1=CC=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019760290	0	34	-1.0	-41.77	293.33	2.86	-38.91
CC(CN(C)C(=O)C1=CC=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019760290	1	34	-1.0	-41.79	293.39	2.87	-38.92
CC(CN(C)C(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=N[N-]N=N1	REAL300019760291	0	34	-1.0	-40.47	304.13	3.18	-37.29
CC(CN(C)C(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=NN=N[N-]1	REAL300019760291	1	34	-1.0	-40.47	304.19	3.19	-37.28
CC(CN(C)C(=O)C1=CC=CC(I)=C1N)C1=N[N-]N=N1	REAL300019760292	0	34	-1.0	-41.54	299.26	3.35	-38.19
CC(CN(C)C(=O)C1=CC=CC(I)=C1N)C1=NN=N[N-]1	REAL300019760292	1	34	-1.0	-41.55	299.32	3.36	-38.19
CC(CN(C)C(=O)C1=CC(Br)=CC(F)=C1N)C1=N[N-]N=N1	REAL300019760293	0	34	-1.0	-41.57	304.89	2.85	-38.72
CC(CN(C)C(=O)C1=CC(Br)=CC(F)=C1N)C1=NN=N[N-]1	REAL300019760293	1	34	-1.0	-41.60	304.95	2.86	-38.74
CC(CN(C)C(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=N[N-]N=N1	REAL300019760294	0	37	-1.0	-40.93	313.68	3.15	-37.78
CC(CN(C)C(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=NN=N[N-]1	REAL300019760294	1	37	-1.0	-40.94	313.74	3.17	-37.77
CC1=CC(Br)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL300019760295	0	37	-1.0	-42.85	317.17	3.51	-39.34
CC1=CC(Br)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL300019760295	1	37	-1.0	-42.82	317.23	3.52	-39.30
CC(CN(C)C(=O)C1=CC(Br)=C(F)C=C1N)C1=N[N-]N=N1	REAL300019760296	0	34	-1.0	-39.40	301.80	2.82	-36.58
CC(CN(C)C(=O)C1=CC(Br)=C(F)C=C1N)C1=NN=N[N-]1	REAL300019760296	1	34	-1.0	-39.41	301.86	2.84	-36.57
CC1=CC(Cl)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL300019760297	0	37	-1.0	-42.97	312.61	3.40	-39.57
CC1=CC(Cl)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL300019760297	1	37	-1.0	-42.97	312.67	3.42	-39.55
CC1=CC(Cl)=C(N)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760298	0	37	-1.0	-43.93	312.63	3.38	-40.55
CC1=CC(Cl)=C(N)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760298	1	37	-1.0	-43.92	312.69	3.40	-40.52
CC(CN(C)C(=O)C1=CC(Cl)=C(F)C=C1N)C1=N[N-]N=N1	REAL300019760299	0	34	-1.0	-39.49	297.39	2.72	-36.77
CC(CN(C)C(=O)C1=CC(Cl)=C(F)C=C1N)C1=NN=N[N-]1	REAL300019760299	1	34	-1.0	-39.52	297.45	2.74	-36.78
CC(CN(C)C(=O)C1=CC(Cl)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019760300	0	34	-1.0	-41.31	313.34	3.35	-37.96
CC(CN(C)C(=O)C1=CC(Cl)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019760300	1	34	-1.0	-41.32	313.40	3.36	-37.96
CC1=CN(C2=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C(N)C=C2F)N=C1	REAL300019760301	0	44	-1.0	-42.90	358.42	4.01	-38.89
CC1=CN(C2=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C(N)C=C2F)N=C1	REAL300019760301	1	44	-1.0	-42.93	358.36	4.00	-38.93
COC1=CC(N)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019760302	0	44	-1.0	-50.48	361.78	-0.46	-50.94
COC1=CC(N)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019760302	1	44	-1.0	-50.52	361.84	-0.45	-50.97
CC1=C(Br)C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL300019760303	0	37	-1.0	-40.55	310.58	3.43	-37.12
CC1=C(Br)C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL300019760303	1	37	-1.0	-40.58	310.64	3.45	-37.13
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(N)=C1Cl	REAL300019760304	0	37	-1.0	-41.92	307.93	3.31	-38.61
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(N)=C1Cl	REAL300019760304	1	37	-1.0	-41.91	307.99	3.33	-38.58
CC(CN(C)C(=O)C1=CC(F)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300019760305	0	34	-1.0	-41.46	298.93	2.78	-38.68
CC(CN(C)C(=O)C1=CC(F)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300019760305	1	34	-1.0	-41.43	298.99	2.79	-38.64
COC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(N)=C1F	REAL300019760306	0	38	-1.0	-44.19	309.23	1.55	-42.64
COC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(N)=C1F	REAL300019760306	1	38	-1.0	-44.21	309.29	1.57	-42.64
COC1=C(F)C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(N)=C1F	REAL300019760307	0	38	-1.0	-42.66	322.99	1.73	-40.93
COC1=C(F)C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(N)=C1F	REAL300019760307	1	38	-1.0	-42.68	323.04	1.74	-40.94
CC(CN(C)C(=O)C1=CC(Br)=CC(N)=C1N)C1=N[N-]N=N1	REAL300019760308	0	36	-1.0	-43.34	311.24	0.89	-42.45
CC(CN(C)C(=O)C1=CC(Br)=CC(N)=C1N)C1=NN=N[N-]1	REAL300019760308	1	36	-1.0	-43.41	311.30	0.90	-42.51
CC(CN(C)C(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=N[N-]N=N1	REAL300019760309	0	34	-1.0	-39.38	306.70	3.12	-36.26
CC(CN(C)C(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=NN=N[N-]1	REAL300019760309	1	34	-1.0	-39.34	306.75	3.14	-36.20
CC(CN(C)C(=O)C1=CC(F)=C(Br)C=C1N)C1=N[N-]N=N1	REAL300019760310	0	34	-1.0	-39.47	301.81	2.82	-36.65
CC(CN(C)C(=O)C1=CC(F)=C(Br)C=C1N)C1=NN=N[N-]1	REAL300019760310	1	34	-1.0	-39.48	301.86	2.84	-36.64
COC1=CC(Br)=C(N)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760311	0	38	-1.0	-43.27	324.80	2.14	-41.13
COC1=CC(Br)=C(N)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760311	1	38	-1.0	-43.29	324.85	2.16	-41.13
CC(CN(C)C(=O)C1=CC=C(Cl)C(F)=C1N)C1=N[N-]N=N1	REAL300019760312	0	34	-1.0	-41.03	296.21	2.73	-38.30
CC(CN(C)C(=O)C1=CC=C(Cl)C(F)=C1N)C1=NN=N[N-]1	REAL300019760312	1	34	-1.0	-41.02	296.27	2.75	-38.27
COC1=CC(N)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1Br	REAL300019760313	0	38	-1.0	-41.69	324.59	2.14	-39.55
COC1=CC(N)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1Br	REAL300019760313	1	38	-1.0	-41.66	324.65	2.15	-39.51
CC(CN(C)C(=O)C1=CC=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL300019760314	0	34	-1.0	-40.82	300.62	2.83	-37.99
CC(CN(C)C(=O)C1=CC=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL300019760314	1	34	-1.0	-40.86	300.68	2.85	-38.01
COC1=CC(OC)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(N)=C1Cl	REAL300019760315	0	42	-1.0	-47.81	355.32	1.40	-46.41
COC1=CC(OC)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(N)=C1Cl	REAL300019760315	1	42	-1.0	-47.84	355.38	1.42	-46.42
CC(CN(C)C(=O)C1=CC=C(Br)C(Cl)=N1)C1=NN=N[N-]1	REAL300019760316	0	31	-1.0	-41.28	296.73	4.31	-36.97
CC(CN(C)C(=O)C1=CC=C(Br)C(Cl)=N1)C1=N[N-]N=N1	REAL300019760316	1	31	-1.0	-41.31	296.67	4.30	-37.01
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760317	0	47	-1.0	-54.35	390.04	-1.45	-55.80
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760317	1	47	-1.0	-54.33	390.10	-1.44	-55.77
CC(CN(C)C(=O)C1=C(Cl)C=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL300019760318	0	37	-1.0	-47.49	322.18	4.94	-42.55
CC(CN(C)C(=O)C1=C(Cl)C=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL300019760318	1	37	-1.0	-47.48	322.12	4.93	-42.55
CC(CN(C)C(=O)C1(C)CC(NC(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019760319	0	56	-1.0	-49.08	414.57	3.03	-46.05
CC(CN(C)C(=O)C1(C)CC(NC(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019760319	1	56	-1.0	-49.10	414.63	3.05	-46.05
CC(CN(C)C(=O)CCC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL300019760320	0	35	-1.0	-45.62	320.86	5.49	-40.13
CC(CN(C)C(=O)CCC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL300019760320	1	35	-1.0	-45.66	320.92	5.50	-40.16
CC(CN(C)C(=O)C1=CN(C)C=C(Br)C1=O)C1=N[N-]N=N1	REAL300019760321	0	35	-1.0	-61.09	316.94	4.16	-56.93
CC(CN(C)C(=O)C1=CN(C)C=C(Br)C1=O)C1=NN=N[N-]1	REAL300019760321	1	35	-1.0	-61.10	317.00	4.17	-56.93
CC(=O)CC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019760322	0	57	-1.0	-64.48	424.53	5.95	-58.53
CC(=O)CC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019760322	1	57	-1.0	-64.51	424.59	5.97	-58.54
CC(CN(C)C(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300019760323	0	54	-1.0	-46.42	403.36	6.45	-39.97
CC(CN(C)C(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300019760323	1	54	-1.0	-46.46	403.42	6.46	-40.00
CC(CN(C)C(=O)C1(CC2=NNN=C2)CCOCC1)C1=N[N-]N=N1	REAL300019760324	0	45	-1.0	-51.41	331.77	1.10	-50.31
CC(CN(C)C(=O)C1(CC2=NNN=C2)CCOCC1)C1=NN=N[N-]1	REAL300019760324	1	45	-1.0	-51.40	331.83	1.12	-50.28
CC(CN(C)C(=O)C1=NN=C2C(Br)=CC=CN12)C1=NN=N[N-]1	REAL300019760325	0	34	-1.0	-45.59	307.07	5.54	-40.05
CC(CN(C)C(=O)C1=NN=C2C(Br)=CC=CN12)C1=N[N-]N=N1	REAL300019760325	1	34	-1.0	-45.60	307.01	5.52	-40.08
CC(CN(C)C(=O)C1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300019760326	0	40	-1.0	-41.95	319.01	3.25	-38.70
CC(CN(C)C(=O)C1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300019760326	1	40	-1.0	-41.96	319.07	3.27	-38.69
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC=C(F)C=C21	REAL300019760327	0	39	-1.0	-41.47	329.12	4.76	-36.71
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC=C(F)C=C21	REAL300019760327	1	39	-1.0	-41.47	329.17	4.77	-36.70
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760328	0	39	-1.0	-49.33	319.67	5.90	-43.43
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760328	1	39	-1.0	-49.33	319.73	5.91	-43.42
CC(CN(C)C(=O)C=CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760329	0	40	-1.0	-50.23	332.73	5.31	-44.92
CC(CN(C)C(=O)C=CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760329	1	40	-1.0	-50.25	332.78	5.33	-44.92
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019760330	0	43	-1.0	-40.84	368.74	4.47	-36.37
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019760330	1	43	-1.0	-40.85	368.80	4.49	-36.36
CC(CN(C)C(=O)C1=C(CN2CCOCC2)C=CO1)C1=N[N-]N=N1	REAL300019760331	0	45	-1.0	-43.59	355.19	1.98	-41.61
CC(CN(C)C(=O)C1=C(CN2CCOCC2)C=CO1)C1=NN=N[N-]1	REAL300019760331	1	45	-1.0	-43.61	355.25	1.99	-41.62
CC(CN(C)C(=O)C1CC2CC(O)CC(C2)C1)C1=N[N-]N=N1	REAL300019760332	0	46	-1.0	-44.70	331.25	2.37	-42.33
CC(CN(C)C(=O)C1CC2CC(O)CC(C2)C1)C1=NN=N[N-]1	REAL300019760332	1	46	-1.0	-44.72	331.31	2.38	-42.34
CC(CN(C)C(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=N[N-]N=N1	REAL300019760333	0	42	-2.0	-77.93	367.02	4.74	-73.19
CC(CN(C)C(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=NN=N[N-]1	REAL300019760333	1	42	-2.0	-77.91	367.07	4.76	-73.15
CC(CN(C)C(=O)C1=CC2=C(N1)SC(Br)=N2)C1=N[N-]N=N1	REAL300019760334	0	32	-1.0	-46.17	302.13	2.42	-43.75
CC(CN(C)C(=O)C1=CC2=C(N1)SC(Br)=N2)C1=NN=N[N-]1	REAL300019760334	1	32	-1.0	-46.16	302.19	2.43	-43.73
CC(CN(C)C(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=N[N-]N=N1	REAL300019760335	0	38	-1.0	-43.12	317.81	2.80	-40.32
CC(CN(C)C(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=NN=N[N-]1	REAL300019760335	1	38	-1.0	-43.10	317.87	2.82	-40.28
CC1=NSC(Br)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760336	0	31	-1.0	-42.11	296.24	3.08	-39.03
CC1=NSC(Br)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760336	1	31	-1.0	-42.16	296.29	3.09	-39.07
CC1=CN2CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)CCC2=N1	REAL300019760337	0	42	-1.0	-44.94	327.10	4.85	-40.09
CC1=CN2CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)CCC2=N1	REAL300019760337	1	42	-1.0	-44.91	327.16	4.87	-40.04
CC(CN(C)C(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=NN=N[N-]1	REAL300019760338	0	34	-1.0	-45.09	310.02	4.49	-40.60
CC(CN(C)C(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=N[N-]N=N1	REAL300019760338	1	34	-1.0	-45.17	309.96	4.48	-40.69
COC(=O)C1=CC(OC)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1Cl	REAL300019760339	0	42	-1.0	-52.10	359.71	4.40	-47.70
COC(=O)C1=CC(OC)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1Cl	REAL300019760339	1	42	-1.0	-52.10	359.77	4.41	-47.69
CC(CN(C)C(=O)C1=CN=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019760340	0	33	-1.0	-42.09	290.58	0.96	-41.13
CC(CN(C)C(=O)C1=CN=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019760340	1	33	-1.0	-42.13	290.63	0.98	-41.15
CC(CN(C)C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=N[N-]N=N1	REAL300019760341	0	42	0.0	-80.67	333.15	2.20	-78.47
CC(CN(C)C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL300019760341	1	42	0.0	-80.65	333.21	2.22	-78.43
CC(CN(C)C(=O)CCN1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019760342	0	47	-1.0	-49.07	360.49	5.60	-43.47
CC(CN(C)C(=O)CCN1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019760342	1	47	-1.0	-49.07	360.55	5.62	-43.45
CC(CN(C)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760343	0	49	-1.0	-52.24	387.96	0.31	-51.93
CC(CN(C)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760343	1	49	-1.0	-52.23	388.01	0.33	-51.90
CC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(NC(=O)OC(C)(C)C)O1	REAL300019760344	0	48	-1.0	-43.29	384.95	1.42	-41.87
CC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(NC(=O)OC(C)(C)C)O1	REAL300019760344	1	48	-1.0	-43.26	385.01	1.43	-41.83
CC(CN(C)C(=O)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019760345	0	34	-1.0	-54.69	322.24	5.60	-49.09
CC(CN(C)C(=O)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019760345	1	34	-1.0	-54.72	322.30	5.62	-49.10
CC(CN(C)C(=O)C1=CC2=C(S1)SC(S(N)(=O)=O)=C2)C1=N[N-]N=N1	REAL300019760346	0	37	-1.0	-47.28	346.17	-0.60	-47.88
CC(CN(C)C(=O)C1=CC2=C(S1)SC(S(N)(=O)=O)=C2)C1=NN=N[N-]1	REAL300019760346	1	37	-1.0	-47.27	346.22	-0.58	-47.85
COC(=O)C1C(F)(F)C12CC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C2	REAL300019760347	0	42	-1.0	-52.54	353.56	5.55	-46.99
COC(=O)C1C(F)(F)C12CC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C2	REAL300019760347	1	42	-1.0	-52.56	353.62	5.56	-47.00
CC(CN(C)C(=O)C(O)CC1=CC=NC=C1Br)C1=N[N-]N=N1	REAL300019760348	0	38	-1.0	-48.94	324.09	2.77	-46.17
CC(CN(C)C(=O)C(O)CC1=CC=NC=C1Br)C1=NN=N[N-]1	REAL300019760348	1	38	-1.0	-48.92	324.15	2.79	-46.13
CC(CN(C)C(=O)C1(C2=CC=CN=C2)CC(F)(F)C1)C1=NN=N[N-]1	REAL300019760349	0	41	-1.0	-44.87	328.19	4.39	-40.48
CC(CN(C)C(=O)C1(C2=CC=CN=C2)CC(F)(F)C1)C1=N[N-]N=N1	REAL300019760349	1	41	-1.0	-44.88	328.14	4.37	-40.51
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760350	0	35	-1.0	-44.18	308.40	4.07	-40.11
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760350	1	35	-1.0	-44.16	308.45	4.08	-40.08
CC(CN(C)C(=O)C1(C2=CC=C(O)C=C2)CC1)C1=N[N-]N=N1	REAL300019760351	0	40	-1.0	-45.52	323.53	2.99	-42.53
CC(CN(C)C(=O)C1(C2=CC=C(O)C=C2)CC1)C1=NN=N[N-]1	REAL300019760351	1	40	-1.0	-45.48	323.59	3.01	-42.47
CC(CN(C)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760352	0	49	-1.0	-49.78	384.77	0.38	-49.40
CC(CN(C)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760352	1	49	-1.0	-49.78	384.83	0.39	-49.39
CC(CN(C)C(=O)C1=CC=C(Br)C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019760353	0	34	-1.0	-41.29	316.31	4.83	-36.46
CC(CN(C)C(=O)C1=CC=C(Br)C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019760353	1	34	-1.0	-41.31	316.25	4.81	-36.50
CC(CN(C)C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300019760354	0	40	-2.0	-116.38	332.19	-0.69	-117.07
CC(CN(C)C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300019760354	1	40	-2.0	-116.40	332.25	-0.68	-117.08
CC(CN(C)C(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760355	0	53	-1.0	-46.93	407.59	5.31	-41.62
CC(CN(C)C(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760355	1	53	-1.0	-46.94	407.65	5.32	-41.62
CC1=C(I)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NO1	REAL300019760356	0	31	-1.0	-43.27	288.71	3.88	-39.39
CC1=C(I)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NO1	REAL300019760356	1	31	-1.0	-43.29	288.77	3.89	-39.40
CC(CN(C)C(=O)C1=CON=C1C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760357	0	52	-1.0	-48.90	414.30	4.62	-44.28
CC(CN(C)C(=O)C1=CON=C1C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760357	1	52	-1.0	-48.92	414.35	4.63	-44.29
CC(CN(C)C(=O)C1=CON=C1C1(C)COC1)C1=NN=N[N-]1	REAL300019760358	0	39	-1.0	-43.53	318.90	2.07	-41.46
CC(CN(C)C(=O)C1=CON=C1C1(C)COC1)C1=N[N-]N=N1	REAL300019760358	1	39	-1.0	-43.46	318.84	2.06	-41.40
CC(CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL300019760359	0	47	-1.0	-50.17	370.27	4.41	-45.76
CC(CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL300019760359	1	47	-1.0	-50.17	370.32	4.43	-45.74
CC(CN(C)C(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760360	0	46	-1.0	-43.95	372.27	2.48	-41.47
CC(CN(C)C(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760360	1	46	-1.0	-43.87	372.32	2.50	-41.37
CC(CN(C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=N[N-]N=N1	REAL300019760361	0	53	-1.0	-58.49	411.23	1.82	-56.67
CC(CN(C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=NN=N[N-]1	REAL300019760361	1	53	-1.0	-58.52	411.29	1.84	-56.68
CC(CN(C)C(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760362	0	53	-1.0	-46.93	407.59	5.31	-41.62
CC(CN(C)C(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760362	1	53	-1.0	-46.94	407.65	5.32	-41.62
COC(CF)(OC)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760363	0	46	-1.0	-44.62	363.62	4.53	-40.09
COC(CF)(OC)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760363	1	46	-1.0	-44.65	363.68	4.54	-40.11
CCOC(=O)CCC(F)(F)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760364	0	40	-1.0	-44.98	336.89	4.62	-40.36
CCOC(=O)CCC(F)(F)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760364	1	40	-1.0	-44.98	336.95	4.63	-40.35
COC1=CC(OC)=C(N)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760365	0	42	-1.0	-46.04	335.91	0.84	-45.20
COC1=CC(OC)=C(N)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760365	1	42	-1.0	-46.02	335.97	0.86	-45.16
COC(=O)C1=CC=C(F)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL300019760366	0	41	-1.0	-49.62	344.72	5.34	-44.28
COC(=O)C1=CC=C(F)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL300019760366	1	41	-1.0	-49.58	344.78	5.35	-44.23
CC(CN(C)C(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019760367	0	41	-1.0	-48.90	329.03	4.12	-44.78
CC(CN(C)C(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019760367	1	41	-1.0	-48.90	329.09	4.13	-44.77
CC(CN(C)C(=O)COC1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019760368	0	47	-1.0	-55.92	381.73	1.58	-54.34
CC(CN(C)C(=O)COC1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019760368	1	47	-1.0	-55.90	381.78	1.59	-54.31
CC1=CN(C2=CC=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C2)N=C1	REAL300019760369	0	42	-1.0	-57.75	344.24	5.93	-51.82
CC1=CN(C2=CC=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C2)N=C1	REAL300019760369	1	42	-1.0	-57.73	344.18	5.92	-51.81
CC(CC1=CC=C(F)C(F)=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760370	0	41	-1.0	-46.96	335.04	6.23	-40.73
CC(CC1=CC=C(F)C(F)=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760370	1	41	-1.0	-46.94	335.09	6.24	-40.70
CC(CN(C)C(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL300019760371	0	43	-1.0	-47.74	361.92	7.76	-39.98
CC(CN(C)C(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL300019760371	1	43	-1.0	-47.75	361.98	7.78	-39.97
CC(CN(C)C(=O)C1=CC=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300019760372	0	38	-1.0	-49.11	315.27	6.38	-42.73
CC(CN(C)C(=O)C1=CC=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300019760372	1	38	-1.0	-49.11	315.33	6.40	-42.71
CC(CN(C)C(=O)C1=NC=C(Br)N1C)C1=NN=N[N-]1	REAL300019760373	0	32	-1.0	-38.95	284.19	3.93	-35.02
CC(CN(C)C(=O)C1=NC=C(Br)N1C)C1=N[N-]N=N1	REAL300019760373	1	32	-1.0	-38.98	284.14	3.91	-35.07
CC(CN(C)C(=O)C1=NN(CC(F)(F)F)C=C1Br)C1=NN=N[N-]1	REAL300019760374	0	35	-1.0	-48.39	326.95	4.49	-43.90
CC(CN(C)C(=O)C1=NN(CC(F)(F)F)C=C1Br)C1=N[N-]N=N1	REAL300019760374	1	35	-1.0	-48.39	326.89	4.47	-43.92
CC(CN(C)C(=O)CCC1=CSC(Br)=C1)C1=N[N-]N=N1	REAL300019760375	0	35	-1.0	-45.28	323.48	5.58	-39.70
CC(CN(C)C(=O)CCC1=CSC(Br)=C1)C1=NN=N[N-]1	REAL300019760375	1	35	-1.0	-45.31	323.54	5.59	-39.72
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL300019760376	0	49	-1.0	-46.05	389.69	7.62	-38.43
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300019760376	1	49	-1.0	-46.01	389.75	7.63	-38.38
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)C1=N[N-]N=N1	REAL300019760377	0	39	-1.0	-45.85	353.29	7.44	-38.41
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)C1=NN=N[N-]1	REAL300019760377	1	39	-1.0	-45.86	353.35	7.46	-38.40
CC(CN(C)C(=O)C1=CC=NN1C1CC1(F)F)C1=NN=N[N-]1	REAL300019760378	0	36	-1.0	-46.52	304.49	3.82	-42.70
CC(CN(C)C(=O)C1=CC=NN1C1CC1(F)F)C1=N[N-]N=N1	REAL300019760378	1	36	-1.0	-46.57	304.43	3.80	-42.77
CCOC1=CC=C2NC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C(C)C2=C1	REAL300019760379	0	46	-1.0	-42.69	372.08	4.81	-37.88
CCOC1=CC=C2NC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C(C)C2=C1	REAL300019760379	1	46	-1.0	-42.67	372.14	4.83	-37.84
CCC1=CC=C2NC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C(C)C2=C1	REAL300019760380	0	45	-1.0	-41.93	363.70	6.05	-35.88
CCC1=CC=C2NC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C(C)C2=C1	REAL300019760380	1	45	-1.0	-41.94	363.75	6.07	-35.87
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL300019760381	0	45	-1.0	-45.28	356.30	5.74	-39.54
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL300019760381	1	45	-1.0	-45.30	356.36	5.76	-39.54
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL300019760382	0	48	-1.0	-41.77	380.85	6.52	-35.25
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300019760382	1	48	-1.0	-41.79	380.90	6.54	-35.25
COC1=CC=CC(Br)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760383	0	36	-1.0	-50.74	319.00	4.12	-46.62
COC1=CC=CC(Br)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760383	1	36	-1.0	-50.78	319.06	4.14	-46.64
CC(CN(C)C(=O)C1=C(F)C=CC(Br)=C1Cl)C1=N[N-]N=N1	REAL300019760384	0	32	-1.0	-47.49	311.19	5.29	-42.20
CC(CN(C)C(=O)C1=C(F)C=CC(Br)=C1Cl)C1=NN=N[N-]1	REAL300019760384	1	32	-1.0	-47.47	311.25	5.30	-42.17
CC1=CC(CC2(C(=O)N(C)CC(C)C3=N[N-]N=N3)CC2)=CC=C1F	REAL300019760385	0	45	-1.0	-46.54	353.13	7.51	-39.03
CC1=CC(CC2(C(=O)N(C)CC(C)C3=NN=N[N-]3)CC2)=CC=C1F	REAL300019760385	1	45	-1.0	-46.52	353.18	7.52	-39.00
CC1=CC(F)=CC=C1CC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019760386	0	45	-1.0	-49.09	348.97	6.95	-42.14
CC1=CC(F)=CC=C1CC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019760386	1	45	-1.0	-49.11	349.03	6.97	-42.14
CC(CN(C)C(=O)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019760387	0	45	-1.0	-51.53	346.82	7.09	-44.44
CC(CN(C)C(=O)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019760387	1	45	-1.0	-51.58	346.88	7.10	-44.48
C#CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019760388	0	57	-1.0	-47.86	421.70	6.21	-41.65
C#CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019760388	1	57	-1.0	-47.83	421.76	6.23	-41.60
COC(=O)C1=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)SC2=CC=C1	REAL300019760389	0	41	-1.0	-51.76	350.55	5.88	-45.88
COC(=O)C1=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)SC2=CC=C1	REAL300019760389	1	41	-1.0	-51.80	350.61	5.89	-45.91
COC(=O)C1=NC=CC=C1CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760390	0	43	-1.0	-52.97	353.60	4.54	-48.43
COC(=O)C1=NC=CC=C1CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760390	1	43	-1.0	-52.95	353.54	4.52	-48.43
CC(CN(C)C(=O)C12CC3(C)CC(C)(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL300019760391	0	53	-1.0	-44.47	371.70	3.47	-41.00
CC(CN(C)C(=O)C12CC3(C)CC(C)(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL300019760391	1	53	-1.0	-44.49	371.76	3.48	-41.01
CC(CN(C)C(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760392	0	52	-1.0	-49.73	402.83	3.73	-46.00
CC(CN(C)C(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760392	1	52	-1.0	-49.74	402.89	3.75	-45.99
CNC(=O)C1=CN=CC(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760393	0	42	-1.0	-54.78	351.02	2.11	-52.67
CNC(=O)C1=CN=CC(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760393	1	42	-1.0	-54.79	351.08	2.13	-52.66
CC(CN(C)C(=O)C=CC1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL300019760394	0	35	-1.0	-49.19	311.43	4.29	-44.90
CC(CN(C)C(=O)C=CC1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL300019760394	1	35	-1.0	-49.20	311.49	4.31	-44.89
COC1=CC=C(C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL300019760395	0	41	-1.0	-46.13	330.95	2.05	-44.08
COC1=CC=C(C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL300019760395	1	41	-1.0	-46.15	331.01	2.06	-44.09
CC(CN(C)C(=O)C=CC1=CC=NC2=CC=CC=C12)C1=N[N-]N=N1	REAL300019760396	0	41	-1.0	-50.60	338.26	5.91	-44.69
CC(CN(C)C(=O)C=CC1=CC=NC2=CC=CC=C12)C1=NN=N[N-]1	REAL300019760396	1	41	-1.0	-50.64	338.32	5.93	-44.71
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760397	0	39	-1.0	-49.33	319.67	5.90	-43.43
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760397	1	39	-1.0	-49.33	319.73	5.91	-43.42
CC(CN(C)C(=O)C1CCC(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019760398	0	43	-1.0	-55.74	339.99	-0.65	-56.39
CC(CN(C)C(=O)C1CCC(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019760398	1	43	-1.0	-55.71	340.04	-0.64	-56.35
CC(CN(C)C(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300019760399	0	38	-1.0	-43.04	326.50	5.47	-37.57
CC(CN(C)C(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300019760399	1	38	-1.0	-43.06	326.44	5.45	-37.61
CC(CN(C)C(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019760400	0	36	-1.0	-44.99	315.50	3.38	-41.61
CC(CN(C)C(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019760400	1	36	-1.0	-44.96	315.56	3.40	-41.56
CC1=CC=CC(C(F)(F)C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760401	0	38	-1.0	-42.73	318.86	5.75	-36.98
CC1=CC=CC(C(F)(F)C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760401	1	38	-1.0	-42.75	318.92	5.76	-36.99
COC1=CSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1OC	REAL300019760402	0	37	-1.0	-50.93	315.88	2.80	-48.13
COC1=CSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1OC	REAL300019760402	1	37	-1.0	-50.93	315.94	2.81	-48.12
CC(CN(C)C(=O)C1=CC=C(Br)C2=CC=CN=C12)C1=NN=N[N-]1	REAL300019760403	0	37	-1.0	-48.46	324.78	5.17	-43.29
CC(CN(C)C(=O)C1=CC=C(Br)C2=CC=CN=C12)C1=N[N-]N=N1	REAL300019760403	1	37	-1.0	-48.48	324.73	5.15	-43.33
CSC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019760404	0	39	-1.0	-45.60	337.53	6.41	-39.19
CSC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019760404	1	39	-1.0	-45.61	337.59	6.43	-39.18
CC1=CC2=NC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2C=C1	REAL300019760405	0	40	-1.0	-43.77	325.51	4.97	-38.80
CC1=CC2=NC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2C=C1	REAL300019760405	1	40	-1.0	-43.77	325.57	4.99	-38.78
COC1=C(F)C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1F	REAL300019760406	0	36	-1.0	-47.24	310.73	3.62	-43.62
COC1=C(F)C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1F	REAL300019760406	1	36	-1.0	-47.28	310.79	3.63	-43.65
CC(CN(C)C(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019760407	0	38	-1.0	-52.84	334.37	4.34	-48.50
CC(CN(C)C(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019760407	1	38	-1.0	-52.77	334.43	4.36	-48.41
CC(CN(C)C(=O)C1=CN=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL300019760408	0	38	-1.0	-44.12	317.02	3.76	-40.36
CC(CN(C)C(=O)C1=CN=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL300019760408	1	38	-1.0	-44.14	316.96	3.74	-40.40
CC(CN(C)C(=O)C[C@H](C)C1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019760409	0	45	-1.0	-46.62	371.25	6.13	-40.49
CC(CN(C)C(=O)C[C@H](C)C1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019760409	1	45	-1.0	-46.60	371.31	6.14	-40.46
CC(CN(C)C(=O)C1CCS(=O)(=O)C1(C)C)C1=N[N-]N=N1	REAL300019760410	0	41	-1.0	-51.49	320.52	1.13	-50.36
CC(CN(C)C(=O)C1CCS(=O)(=O)C1(C)C)C1=NN=N[N-]1	REAL300019760410	1	41	-1.0	-51.51	320.57	1.14	-50.37
COC1=CC(F)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL300019760411	0	38	-1.0	-43.53	312.87	1.62	-41.91
COC1=CC(F)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL300019760411	1	38	-1.0	-43.56	312.93	1.64	-41.92
CCCC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760412	0	44	-1.0	-47.79	354.77	7.32	-40.47
CCCC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760412	1	44	-1.0	-47.78	354.82	7.34	-40.44
CC(C)N1C=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC1=O	REAL300019760413	0	41	-1.0	-50.60	334.23	4.43	-46.17
CC(C)N1C=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC1=O	REAL300019760413	1	41	-1.0	-50.59	334.28	4.45	-46.14
CC(CN(C)C(=O)CCCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL300019760414	0	44	-1.0	-55.31	360.16	4.15	-51.16
CC(CN(C)C(=O)CCCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL300019760414	1	44	-1.0	-55.37	360.22	4.17	-51.20
CC(CN(C)C(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019760415	0	44	-1.0	-49.47	342.54	6.55	-42.92
CC(CN(C)C(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019760415	1	44	-1.0	-49.48	342.60	6.56	-42.92
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)COC1)C1=N[N-]N=N1	REAL300019760416	0	50	-1.0	-46.63	381.88	0.98	-45.65
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)COC1)C1=NN=N[N-]1	REAL300019760416	1	50	-1.0	-46.57	381.94	1.00	-45.57
CC(CN(C)C(=O)C1COC2=C(Br)C=CC=C2C1)C1=N[N-]N=N1	REAL300019760417	0	40	-1.0	-42.09	335.49	5.36	-36.73
CC(CN(C)C(=O)C1COC2=C(Br)C=CC=C2C1)C1=NN=N[N-]1	REAL300019760417	1	40	-1.0	-42.04	335.55	5.38	-36.66
CC(CN(C)C(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=NN=N[N-]1	REAL300019760418	0	39	-1.0	-51.75	330.16	6.26	-45.49
CC(CN(C)C(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=N[N-]N=N1	REAL300019760418	1	39	-1.0	-51.76	330.10	6.24	-45.52
CC(=CC1=CC=C(F)C=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760419	0	39	-1.0	-46.33	324.49	6.10	-40.23
CC(=CC1=CC=C(F)C=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760419	1	39	-1.0	-46.38	324.55	6.12	-40.26
CCCCC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CS1	REAL300019760420	0	40	-1.0	-45.49	336.84	5.05	-40.44
CCCCC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CS1	REAL300019760420	1	40	-1.0	-45.51	336.89	5.06	-40.45
CC(CN(C)C(=O)C1=CC=C(C(=O)CF)C=C1)C1=N[N-]N=N1	REAL300019760421	0	37	-1.0	-51.54	311.68	4.66	-46.88
CC(CN(C)C(=O)C1=CC=C(C(=O)CF)C=C1)C1=NN=N[N-]1	REAL300019760421	1	37	-1.0	-51.52	311.74	4.68	-46.84
CC(CN(C)C(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300019760422	0	41	-1.0	-51.95	347.29	4.58	-47.37
CC(CN(C)C(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300019760422	1	41	-1.0	-51.98	347.34	4.60	-47.38
CCC1=NC2=CC=CC=C2C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760423	0	43	-1.0	-47.56	346.36	5.82	-41.74
CCC1=NC2=CC=CC=C2C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760423	1	43	-1.0	-47.60	346.42	5.83	-41.77
CCCN1C(=O)CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1C1=CC=CC=C1	REAL300019760424	0	52	-1.0	-48.02	407.43	7.32	-40.70
CCCN1C(=O)CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1C1=CC=CC=C1	REAL300019760424	1	52	-1.0	-48.01	407.48	7.34	-40.67
COC1=CC=C(F)C=C1CC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019760425	0	46	-1.0	-48.37	364.92	6.21	-42.16
COC1=CC=C(F)C=C1CC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019760425	1	46	-1.0	-48.37	364.98	6.23	-42.14
CC(CN(C)C(=O)C1(C#N)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019760426	0	33	-1.0	-46.22	285.86	3.77	-42.45
CC(CN(C)C(=O)C1(C#N)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019760426	1	33	-1.0	-46.24	285.92	3.79	-42.45
CC(CN(C)C(=O)C1=C(Cl)C=CC2=C1OCO2)C1=N[N-]N=N1	REAL300019760427	0	35	-1.0	-50.44	312.02	3.33	-47.11
CC(CN(C)C(=O)C1=C(Cl)C=CC2=C1OCO2)C1=NN=N[N-]1	REAL300019760427	1	35	-1.0	-50.45	312.08	3.35	-47.10
CC(CN(C)C(=O)C12CC(F)(F)CC1CCCC2)C1=N[N-]N=N1	REAL300019760428	0	45	-1.0	-44.59	322.21	5.32	-39.27
CC(CN(C)C(=O)C12CC(F)(F)CC1CCCC2)C1=NN=N[N-]1	REAL300019760428	1	45	-1.0	-44.61	322.26	5.34	-39.27
CC1=CC=CC(C2=NOC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C2)=C1	REAL300019760429	0	41	-1.0	-40.50	343.40	5.99	-34.51
CC1=CC=CC(C2=NOC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C2)=C1	REAL300019760429	1	41	-1.0	-40.50	343.35	5.97	-34.53
CC(CN(C)C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=NN=N[N-]1	REAL300019760430	0	38	-1.0	-41.52	339.32	5.87	-35.65
CC(CN(C)C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=N[N-]N=N1	REAL300019760430	1	38	-1.0	-41.49	339.26	5.86	-35.63
CC(CN(C)C(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=NN=N[N-]1	REAL300019760431	0	38	-1.0	-41.85	334.37	6.01	-35.84
CC(CN(C)C(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=N[N-]N=N1	REAL300019760431	1	38	-1.0	-41.84	334.31	6.00	-35.84
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300019760432	0	52	-1.0	-44.49	394.97	3.47	-41.02
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300019760432	1	52	-1.0	-44.51	395.03	3.48	-41.03
CC(CN(C)C(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)OC2C)C1=N[N-]N=N1	REAL300019760433	0	57	-1.0	-47.64	434.38	2.72	-44.92
CC(CN(C)C(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)OC2C)C1=NN=N[N-]1	REAL300019760433	1	57	-1.0	-47.62	434.44	2.74	-44.88
CC(CN(C)C(=O)C(F)(F)C1=CN=NN1C)C1=NN=N[N-]1	REAL300019760434	0	34	-1.0	-43.34	287.11	1.17	-42.17
CC(CN(C)C(=O)C(F)(F)C1=CN=NN1C)C1=N[N-]N=N1	REAL300019760434	1	34	-1.0	-43.33	287.05	1.15	-42.18
COC(=O)[C@@H](CC(=O)N(C)CC(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019760435	0	51	-1.0	-54.77	410.19	3.44	-51.33
COC(=O)[C@@H](CC(=O)N(C)CC(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019760435	1	51	-1.0	-54.81	410.25	3.46	-51.35
CC(CN(C)C(=O)CC1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C1=N[N-]N=N1	REAL300019760436	0	59	-1.0	-48.60	439.55	7.05	-41.55
CC(CN(C)C(=O)CC1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C1=NN=N[N-]1	REAL300019760436	1	59	-1.0	-48.59	439.61	7.06	-41.53
CC(CN(C)C(=O)C1=CC2=CC(NC(=O)OC(C)(C)C)=CC=C2N1)C1=N[N-]N=N1	REAL300019760437	0	53	-1.0	-44.79	416.14	4.87	-39.92
CC(CN(C)C(=O)C1=CC2=CC(NC(=O)OC(C)(C)C)=CC=C2N1)C1=NN=N[N-]1	REAL300019760437	1	53	-1.0	-44.76	416.20	4.89	-39.87
CC(CN(C)C(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL300019760438	0	47	-1.0	-47.77	331.55	2.49	-45.28
CC(CN(C)C(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL300019760438	1	47	-1.0	-47.80	331.60	2.50	-45.30
CC(CN(C)C(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760439	0	49	-1.0	-51.08	383.07	4.54	-46.54
CC(CN(C)C(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760439	1	49	-1.0	-51.09	383.13	4.55	-46.54
CC(CN(C)C(=O)C1=CC2=NNC(=O)N2C=C1)C1=N[N-]N=N1	REAL300019760440	0	35	-1.0	-46.46	303.17	2.57	-43.89
CC(CN(C)C(=O)C1=CC2=NNC(=O)N2C=C1)C1=NN=N[N-]1	REAL300019760440	1	35	-1.0	-46.45	303.22	2.59	-43.86
CC1=NSC(I)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760441	0	31	-1.0	-41.67	302.65	3.55	-38.12
CC1=NSC(I)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760441	1	31	-1.0	-41.67	302.70	3.57	-38.10
CC(CN(C)C(=O)C1=CNN=C1C1=NN(C)C=C1)C1=N[N-]N=N1	REAL300019760442	0	39	-1.0	-59.71	328.78	1.99	-57.72
CC(CN(C)C(=O)C1=CNN=C1C1=NN(C)C=C1)C1=NN=N[N-]1	REAL300019760442	1	39	-1.0	-59.69	328.84	2.01	-57.68
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019760443	0	42	-1.0	-41.36	361.68	5.69	-35.67
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019760443	1	42	-1.0	-41.35	361.74	5.70	-35.65
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=C(C)C=CC=C12	REAL300019760444	0	42	-1.0	-42.33	343.94	5.34	-36.99
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=C(C)C=CC=C12	REAL300019760444	1	42	-1.0	-42.35	343.99	5.35	-37.00
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019760445	0	43	-1.0	-44.81	345.23	6.07	-38.74
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019760445	1	43	-1.0	-44.89	345.28	6.09	-38.80
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019760446	0	46	-1.0	-44.69	364.76	6.81	-37.88
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019760446	1	46	-1.0	-44.65	364.82	6.83	-37.82
CCC1=CN2C(=N1)C=CC=C2C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760447	0	41	-1.0	-48.78	340.36	5.92	-42.86
CCC1=CN2C(=N1)C=CC=C2C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760447	1	41	-1.0	-48.83	340.41	5.93	-42.90
CCOC(=O)C12CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)(C1)OC2	REAL300019760448	0	43	-1.0	-43.30	349.51	3.87	-39.43
CCOC(=O)C12CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)(C1)OC2	REAL300019760448	1	43	-1.0	-43.28	349.57	3.88	-39.40
CC(CN(C)C(=O)CC1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL300019760449	0	51	-1.0	-47.03	376.40	5.63	-41.40
CC(CN(C)C(=O)CC1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL300019760449	1	51	-1.0	-47.00	376.45	5.65	-41.35
CC(CN(C)C(=O)CC1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL300019760450	0	42	-1.0	-55.06	329.03	6.04	-49.02
CC(CN(C)C(=O)CC1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL300019760450	1	42	-1.0	-55.05	329.08	6.05	-49.00
CC(CN(C)C(=O)CCCCCN1C=NN=N1)C1=NN=N[N-]1	REAL300019760451	0	42	-1.0	-60.36	345.90	4.66	-55.70
CC(CN(C)C(=O)CCCCCN1C=NN=N1)C1=N[N-]N=N1	REAL300019760451	1	42	-1.0	-60.38	345.84	4.64	-55.74
CC(CN(C)C(=O)CCC1=CC=C(C#N)C=C1Br)C1=N[N-]N=N1	REAL300019760452	0	39	-1.0	-48.10	349.82	6.77	-41.33
CC(CN(C)C(=O)CCC1=CC=C(C#N)C=C1Br)C1=NN=N[N-]1	REAL300019760452	1	39	-1.0	-48.11	349.88	6.78	-41.33
CC(CN(C)C(=O)C1=CC=C2NC(=O)NCC2=C1)C1=N[N-]N=N1	REAL300019760453	0	39	-1.0	-46.83	318.29	1.13	-45.70
CC(CN(C)C(=O)C1=CC=C2NC(=O)NCC2=C1)C1=NN=N[N-]1	REAL300019760453	1	39	-1.0	-46.88	318.35	1.14	-45.74
CC(CN(C)C(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760454	0	41	-1.0	-45.50	338.48	6.37	-39.13
CC(CN(C)C(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760454	1	41	-1.0	-45.54	338.53	6.38	-39.16
CC(CN(C)C(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300019760455	0	38	-1.0	-48.50	320.98	4.75	-43.75
CC(CN(C)C(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300019760455	1	38	-1.0	-48.49	320.92	4.73	-43.76
CC(CN(C)C(=O)C1=COC2=C1CS(=O)(=O)C2)C1=N[N-]N=N1	REAL300019760456	0	36	-1.0	-52.39	310.58	0.11	-52.28
CC(CN(C)C(=O)C1=COC2=C1CS(=O)(=O)C2)C1=NN=N[N-]1	REAL300019760456	1	36	-1.0	-52.39	310.64	0.13	-52.26
CC(CN(C)C(=O)C1=CC=C(C2CCOC2)C=C1)C1=N[N-]N=N1	REAL300019760457	0	43	-1.0	-47.52	338.67	4.66	-42.86
CC(CN(C)C(=O)C1=CC=C(C2CCOC2)C=C1)C1=NN=N[N-]1	REAL300019760457	1	43	-1.0	-47.50	338.73	4.67	-42.83
CC(CN(C)C(=O)C(F)(F)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019760458	0	32	-1.0	-42.28	305.18	4.49	-37.79
CC(CN(C)C(=O)C(F)(F)C1=CSC=C1Br)C1=NN=N[N-]1	REAL300019760458	1	32	-1.0	-42.23	305.24	4.51	-37.72
CC(CN(C)C(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=NN=N[N-]1	REAL300019760459	0	38	-1.0	-42.85	325.69	3.20	-39.65
CC(CN(C)C(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=N[N-]N=N1	REAL300019760459	1	38	-1.0	-42.89	325.64	3.18	-39.71
CC(CN(C)C(=O)C1=CN=CC2=C1CCCC2)C1=N[N-]N=N1	REAL300019760460	0	41	-1.0	-42.75	317.71	4.61	-38.14
CC(CN(C)C(=O)C1=CN=CC2=C1CCCC2)C1=NN=N[N-]1	REAL300019760460	1	41	-1.0	-42.74	317.76	4.63	-38.11
C=CCNC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760461	0	43	-1.0	-45.33	354.03	3.77	-41.56
C=CCNC(=O)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760461	1	43	-1.0	-45.35	354.09	3.78	-41.57
CC(CN(C)C(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019760462	0	41	-1.0	-44.82	344.61	5.92	-38.90
CC(CN(C)C(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019760462	1	41	-1.0	-44.83	344.55	5.90	-38.93
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL300019760463	0	42	-1.0	-42.32	342.20	5.27	-37.05
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL300019760463	1	42	-1.0	-42.29	342.25	5.29	-37.00
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019760464	0	41	-1.0	-43.06	350.79	5.36	-37.70
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019760464	1	41	-1.0	-43.08	350.85	5.37	-37.71
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL300019760465	0	39	-1.0	-41.14	337.56	5.12	-36.02
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL300019760465	1	39	-1.0	-41.11	337.62	5.13	-35.98
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC(F)=CC=C21	REAL300019760466	0	39	-1.0	-41.51	327.24	4.68	-36.83
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC(F)=CC=C21	REAL300019760466	1	39	-1.0	-41.52	327.30	4.70	-36.82
CC1=C2N=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=CN2N=C1	REAL300019760467	0	37	-1.0	-42.33	308.70	4.68	-37.65
CC1=C2N=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=CN2N=C1	REAL300019760467	1	37	-1.0	-42.33	308.64	4.67	-37.66
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL300019760468	0	56	-1.0	-49.89	427.55	5.02	-44.87
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL300019760468	1	56	-1.0	-49.95	427.61	5.04	-44.91
CC(CN(C)C(=O)C1=CC(Br)=CC(F)=C1F)C1=N[N-]N=N1	REAL300019760469	0	32	-1.0	-44.00	293.55	4.79	-39.21
CC(CN(C)C(=O)C1=CC(Br)=CC(F)=C1F)C1=NN=N[N-]1	REAL300019760469	1	32	-1.0	-44.02	293.60	4.81	-39.21
CC(CN(C)C(=O)[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760470	0	55	-1.0	-52.42	402.12	6.37	-46.05
CC(CN(C)C(=O)[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760470	1	55	-1.0	-52.43	402.17	6.39	-46.04
CC(CN(C)C(=O)C12CC1CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019760471	0	56	-1.0	-53.17	415.06	6.54	-46.63
CC(CN(C)C(=O)C12CC1CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019760471	1	56	-1.0	-53.21	415.11	6.55	-46.66
CC(CN(C)C(=O)C1=CC=CC(F)=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019760472	0	35	-1.0	-47.77	305.72	5.15	-42.62
CC(CN(C)C(=O)C1=CC=CC(F)=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019760472	1	35	-1.0	-47.76	305.78	5.16	-42.60
CC(CN(C)C(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760473	0	56	-1.0	-45.01	414.19	6.14	-38.87
CC(CN(C)C(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760473	1	56	-1.0	-45.06	414.30	6.15	-38.91
CC(CN(C)C(=O)C1=C2SN=CC2=CC=C1)C1=NN=N[N-]1	REAL300019760474	0	34	-1.0	-52.46	298.06	4.30	-48.16
CC(CN(C)C(=O)C1=C2SN=CC2=CC=C1)C1=N[N-]N=N1	REAL300019760474	1	34	-1.0	-52.44	298.00	4.28	-48.16
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CCCCO1)C1=N[N-]N=N1	REAL300019760475	0	56	-1.0	-43.29	416.70	2.81	-40.48
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CCCCO1)C1=NN=N[N-]1	REAL300019760475	1	56	-1.0	-43.28	416.76	2.82	-40.46
CC(CN(C)C(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760476	0	56	-1.0	-60.31	420.58	6.10	-54.21
CC(CN(C)C(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760476	1	56	-1.0	-60.31	420.64	6.11	-54.20
CCC(CCC(=O)N(C)CC(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019760477	0	54	-1.0	-46.60	412.02	4.29	-42.31
CCC(CCC(=O)N(C)CC(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019760477	1	54	-1.0	-46.59	412.07	4.30	-42.29
CC(CN(C)C(=O)C1=C2SC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL300019760478	0	35	-1.0	-44.31	306.42	5.49	-38.82
CC(CN(C)C(=O)C1=C2SC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL300019760478	1	35	-1.0	-44.26	306.48	5.51	-38.75
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300019760479	0	45	-1.0	-49.61	359.85	8.12	-41.49
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300019760479	1	45	-1.0	-49.62	359.91	8.14	-41.48
CC(CN(C)C(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019760480	0	52	-1.0	-51.89	407.04	4.07	-47.82
CC(CN(C)C(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019760480	1	52	-1.0	-51.90	407.10	4.09	-47.81
CC1=C(F)C=CC(Br)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760481	0	35	-1.0	-45.18	314.59	5.33	-39.85
CC1=C(F)C=CC(Br)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760481	1	35	-1.0	-45.17	314.65	5.35	-39.82
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760482	0	45	-1.0	-43.79	353.24	7.95	-35.84
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760482	1	45	-1.0	-43.80	353.30	7.96	-35.84
CC(CN(C)C(=O)C1=COC2=C(Br)C=CC=C12)C1=N[N-]N=N1	REAL300019760483	0	35	-1.0	-45.01	314.52	5.16	-39.85
CC(CN(C)C(=O)C1=COC2=C(Br)C=CC=C12)C1=NN=N[N-]1	REAL300019760483	1	35	-1.0	-45.03	314.58	5.18	-39.85
COC1=CC(OC)=C(Cl)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760484	0	40	-1.0	-50.38	337.92	3.21	-47.17
COC1=CC(OC)=C(Cl)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760484	1	40	-1.0	-50.36	337.98	3.23	-47.13
CC(CN(C)C(=O)C(C)(C)C(=O)N(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760485	0	51	-1.0	-64.21	382.21	7.25	-56.96
CC(CN(C)C(=O)C(C)(C)C(=O)N(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760485	1	51	-1.0	-64.18	382.27	7.26	-56.92
CC(CN(C)C(=O)C1(C)CCCN(C(C)(C)C)S1(=O)=O)C1=N[N-]N=N1	REAL300019760486	0	52	-1.0	-48.54	369.62	2.98	-45.56
CC(CN(C)C(=O)C1(C)CCCN(C(C)(C)C)S1(=O)=O)C1=NN=N[N-]1	REAL300019760486	1	52	-1.0	-48.50	369.68	2.99	-45.51
CC(CN(C)C(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019760487	0	42	-1.0	-46.80	364.02	7.74	-39.06
CC(CN(C)C(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019760487	1	42	-1.0	-46.85	364.08	7.76	-39.09
CC(CN(C)C(=O)C1CCCC2=C1N=CS2)C1=N[N-]N=N1	REAL300019760488	0	38	-1.0	-45.23	311.98	4.04	-41.19
CC(CN(C)C(=O)C1CCCC2=C1N=CS2)C1=NN=N[N-]1	REAL300019760488	1	38	-1.0	-45.25	312.04	4.05	-41.20
CC(CN(C)C(=O)C1C2C=CC(C2)C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760489	0	47	-1.0	-48.44	353.97	7.81	-40.63
CC(CN(C)C(=O)C1C2C=CC(C2)C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760489	1	47	-1.0	-48.41	354.04	7.82	-40.59
CC(CN(C)C(=O)C1CC(F)(F)CCC1(C)C)C1=N[N-]N=N1	REAL300019760490	0	44	-1.0	-39.13	319.90	5.06	-34.07
CC(CN(C)C(=O)C1CC(F)(F)CCC1(C)C)C1=NN=N[N-]1	REAL300019760490	1	44	-1.0	-39.11	319.96	5.07	-34.04
CC1=C(C#N)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(C)S1	REAL300019760491	0	36	-1.0	-53.36	322.06	5.01	-48.35
CC1=C(C#N)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(C)S1	REAL300019760491	1	36	-1.0	-53.32	322.12	5.03	-48.29
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300019760492	0	37	-1.0	-59.13	310.88	6.26	-52.87
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300019760492	1	37	-1.0	-59.11	310.94	6.28	-52.83
CC(CN(C)C(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019760493	0	44	-1.0	-44.64	362.99	7.77	-36.87
CC(CN(C)C(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019760493	1	44	-1.0	-44.63	362.93	7.75	-36.88
CC(CN(C)C(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=N[N-]N=N1	REAL300019760494	0	42	-1.0	-50.36	352.49	6.89	-43.47
CC(CN(C)C(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=NN=N[N-]1	REAL300019760494	1	42	-1.0	-50.36	352.55	6.90	-43.46
CC(CN(C)C(=O)C1=CN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300019760495	0	31	-1.0	-40.39	288.84	2.32	-38.07
CC(CN(C)C(=O)C1=CN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300019760495	1	31	-1.0	-40.41	288.78	2.30	-38.11
CC(CN(C)C(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019760496	0	46	-1.0	-48.34	356.26	5.95	-42.39
CC(CN(C)C(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019760496	1	46	-1.0	-48.33	356.32	5.96	-42.37
COC1=CC=C2NN=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C2=C1	REAL300019760497	0	39	-1.0	-49.56	321.46	2.65	-46.91
COC1=CC=C2NN=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C2=C1	REAL300019760497	1	39	-1.0	-49.60	321.52	2.66	-46.94
COC1=CC=C2NC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C(C)C2=C1	REAL300019760498	0	43	-1.0	-43.12	352.27	3.98	-39.14
COC1=CC=C2NC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C(C)C2=C1	REAL300019760498	1	43	-1.0	-43.13	352.32	3.99	-39.14
CC(CN(C)C(=O)C(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019760499	0	31	-1.0	-40.19	293.14	3.91	-36.28
CC(CN(C)C(=O)C(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL300019760499	1	31	-1.0	-40.22	293.20	3.93	-36.29
CC(CN(C)C(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=N[N-]N=N1	REAL300019760500	0	41	-1.0	-45.85	341.08	6.50	-39.35
CC(CN(C)C(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=NN=N[N-]1	REAL300019760500	1	41	-1.0	-45.85	341.13	6.51	-39.34
CC(CN(C)C(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=N[N-]N=N1	REAL300019760501	0	42	-1.0	-45.72	340.25	3.71	-42.01
CC(CN(C)C(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=NN=N[N-]1	REAL300019760501	1	42	-1.0	-45.72	340.31	3.72	-42.00
CC(CN(C)C(=O)C1=CSC(Br)=C1Cl)C1=N[N-]N=N1	REAL300019760502	0	29	-1.0	-33.06	284.57	3.87	-29.19
CC(CN(C)C(=O)C1=CSC(Br)=C1Cl)C1=NN=N[N-]1	REAL300019760502	1	29	-1.0	-33.10	284.62	3.89	-29.21
CC(CN(C)C(=O)C12CC3CC(C1)C(=O)C(C3)C2)C1=N[N-]N=N1	REAL300019760503	0	45	-1.0	-45.45	323.85	4.90	-40.55
CC(CN(C)C(=O)C12CC3CC(C1)C(=O)C(C3)C2)C1=NN=N[N-]1	REAL300019760503	1	45	-1.0	-45.42	323.90	4.92	-40.50
CC(CN(C)C(=O)C1(C(F)(F)F)CC2CCC1C2)C1=N[N-]N=N1	REAL300019760504	0	42	-1.0	-40.66	307.28	4.85	-35.81
CC(CN(C)C(=O)C1(C(F)(F)F)CC2CCC1C2)C1=NN=N[N-]1	REAL300019760504	1	42	-1.0	-40.65	307.34	4.86	-35.79
CC(CN(C)C(=O)C1=CC=CC=C1CC(F)(F)F)C1=N[N-]N=N1	REAL300019760505	0	38	-1.0	-47.07	320.33	5.77	-41.30
CC(CN(C)C(=O)C1=CC=CC=C1CC(F)(F)F)C1=NN=N[N-]1	REAL300019760505	1	38	-1.0	-47.07	320.39	5.78	-41.29
CCN(CCC(=O)N(C)CC(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019760506	0	51	-1.0	-48.83	394.61	5.38	-43.45
CCN(CCC(=O)N(C)CC(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019760506	1	51	-1.0	-48.82	394.67	5.39	-43.43
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CCCC2CC21)C1=N[N-]N=N1	REAL300019760507	0	56	-1.0	-49.47	408.77	5.90	-43.57
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CCCC2CC21)C1=NN=N[N-]1	REAL300019760507	1	56	-1.0	-49.49	408.82	5.92	-43.57
CC(CN(C)C(=O)C(F)(F)CCN1C=CN=N1)C1=NN=N[N-]1	REAL300019760508	0	37	-1.0	-50.01	315.84	2.67	-47.34
CC(CN(C)C(=O)C(F)(F)CCN1C=CN=N1)C1=N[N-]N=N1	REAL300019760508	1	37	-1.0	-50.08	315.79	2.66	-47.42
CC1=CC(F)=CC=C1C(F)(F)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760509	0	38	-1.0	-41.11	317.05	5.52	-35.59
CC1=CC(F)=CC=C1C(F)(F)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760509	1	38	-1.0	-41.11	317.11	5.54	-35.57
CC(CN(C)C(=O)C(F)(F)CCN1C=CC=N1)C1=NN=N[N-]1	REAL300019760510	0	38	-1.0	-46.50	322.04	3.90	-42.60
CC(CN(C)C(=O)C(F)(F)CCN1C=CC=N1)C1=N[N-]N=N1	REAL300019760510	1	38	-1.0	-46.52	321.98	3.89	-42.63
CC(CN(C)C(=O)CC1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL300019760511	0	41	-1.0	-54.53	329.04	1.39	-53.14
CC(CN(C)C(=O)CC1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL300019760511	1	41	-1.0	-54.52	329.10	1.40	-53.12
CC1=NN=NN1C(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019760512	0	43	-1.0	-58.42	348.54	4.49	-53.93
CC1=NN=NN1C(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019760512	1	43	-1.0	-58.37	348.60	4.50	-53.87
CC(CN(C)C(=O)C1CCCN1C1=CN=CC=N1)C1=NN=N[N-]1	REAL300019760513	0	42	-1.0	-49.94	329.56	1.79	-48.15
CC(CN(C)C(=O)C1CCCN1C1=CN=CC=N1)C1=N[N-]N=N1	REAL300019760513	1	42	-1.0	-49.93	329.51	1.77	-48.16
CC(CN(C)C(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=N[N-]N=N1	REAL300019760514	0	37	-1.0	-50.67	311.83	0.39	-50.28
CC(CN(C)C(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=NN=N[N-]1	REAL300019760514	1	37	-1.0	-50.69	311.88	0.41	-50.28
CCOC(=O)C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC2(CCC2)C1	REAL300019760515	0	48	-1.0	-41.83	369.21	6.46	-35.37
CCOC(=O)C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC2(CCC2)C1	REAL300019760515	1	48	-1.0	-41.86	369.27	6.47	-35.39
COC1=CC(F)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1Br	REAL300019760516	0	36	-1.0	-44.01	321.07	4.10	-39.91
COC1=CC(F)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1Br	REAL300019760516	1	36	-1.0	-44.00	321.13	4.12	-39.88
CC(CN(C)C(=O)C1=CC=CC(I)=C1F)C1=N[N-]N=N1	REAL300019760517	0	32	-1.0	-51.69	296.89	5.21	-46.48
CC(CN(C)C(=O)C1=CC=CC(I)=C1F)C1=NN=N[N-]1	REAL300019760517	1	32	-1.0	-51.68	296.95	5.22	-46.46
CC(C)C1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1F	REAL300019760518	0	41	-1.0	-52.89	328.79	6.02	-46.87
CC(C)C1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1F	REAL300019760518	1	41	-1.0	-52.93	328.84	6.03	-46.90
CC(C)C1=CC=C(F)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760519	0	41	-1.0	-46.10	331.99	6.05	-40.05
CC(C)C1=CC=C(F)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760519	1	41	-1.0	-46.08	332.05	6.06	-40.02
CC(CN(C)C(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019760520	0	38	-1.0	-49.72	313.24	6.31	-43.41
CC(CN(C)C(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019760520	1	38	-1.0	-49.71	313.29	6.32	-43.39
CC(CN(C)C(=O)C1=CC=C(C(C)(C)C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019760521	0	46	-1.0	-57.33	365.70	7.91	-49.42
CC(CN(C)C(=O)C1=CC=C(C(C)(C)C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019760521	1	46	-1.0	-57.30	365.76	7.92	-49.38
CC(CN(C)C(=O)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760522	0	48	-1.0	-42.08	399.66	9.54	-32.54
CC(CN(C)C(=O)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760522	1	48	-1.0	-42.11	399.71	9.55	-32.56
CC(CN(C)C(=O)C(CC1=CC=CC=C1)C1CCCCC1)C1=N[N-]N=N1	REAL300019760523	0	54	-1.0	-45.73	395.40	8.90	-36.83
CC(CN(C)C(=O)C(CC1=CC=CC=C1)C1CCCCC1)C1=NN=N[N-]1	REAL300019760523	1	54	-1.0	-45.73	395.46	8.91	-36.82
CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL300019760524	0	48	-1.0	-46.29	341.22	6.64	-39.65
CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL300019760524	1	48	-1.0	-46.27	341.28	6.66	-39.61
CC(CN(C)C(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=N[N-]N=N1	REAL300019760525	0	38	-1.0	-44.72	322.99	5.76	-38.96
CC(CN(C)C(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=NN=N[N-]1	REAL300019760525	1	38	-1.0	-44.73	323.05	5.77	-38.96
CC(CN(C)C(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019760526	0	45	-1.0	-45.44	371.24	6.14	-39.30
CC(CN(C)C(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019760526	1	45	-1.0	-45.45	371.30	6.15	-39.30
COC(=O)C1=CSC2=C1NC(C(=O)N(C)CC(C)C1=N[N-]N=N1)=C2	REAL300019760527	0	39	-1.0	-45.26	341.11	4.33	-40.93
COC(=O)C1=CSC2=C1NC(C(=O)N(C)CC(C)C1=NN=N[N-]1)=C2	REAL300019760527	1	39	-1.0	-45.25	341.17	4.35	-40.90
COC(=O)C1=CC2=C(C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)N2)S1	REAL300019760528	0	39	-1.0	-46.40	341.77	4.47	-41.93
COC(=O)C1=CC2=C(C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)N2)S1	REAL300019760528	1	39	-1.0	-46.38	341.83	4.48	-41.90
CC(CN(C)C(=O)C1=CON=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760529	0	38	-1.0	-46.48	312.97	4.98	-41.50
CC(CN(C)C(=O)C1=CON=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760529	1	38	-1.0	-46.48	312.92	4.96	-41.52
CC(CN(C)C(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019760530	0	55	-1.0	-51.10	438.28	5.56	-45.54
CC(CN(C)C(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019760530	1	55	-1.0	-51.07	438.34	5.57	-45.50
CC(CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760531	0	55	-1.0	-44.79	414.14	4.24	-40.55
CC(CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760531	1	55	-1.0	-44.82	414.20	4.25	-40.57
CC(CN(C)C(=O)C(F)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760532	0	48	-1.0	-49.06	383.73	2.67	-46.39
CC(CN(C)C(=O)C(F)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760532	1	48	-1.0	-49.04	383.79	2.68	-46.36
CC(CN(C)C(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=N[N-]N=N1	REAL300019760533	0	42	-1.0	-49.81	341.77	3.72	-46.09
CC(CN(C)C(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=NN=N[N-]1	REAL300019760533	1	42	-1.0	-49.87	341.82	3.74	-46.13
CC(CN(C)C(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760534	0	46	-1.0	-49.41	359.34	7.64	-41.77
CC(CN(C)C(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760534	1	46	-1.0	-49.43	359.40	7.65	-41.78
CC(CN(C)C(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760535	0	46	-1.0	-49.53	360.33	7.67	-41.86
CC(CN(C)C(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760535	1	46	-1.0	-49.53	360.39	7.69	-41.84
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760536	0	46	-1.0	-53.41	381.01	5.86	-47.55
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760536	1	46	-1.0	-53.41	381.07	5.87	-47.54
CC(CN(C)C(=O)C1(CNC(=O)OCC2=CC=CC=C2)COC1)C1=N[N-]N=N1	REAL300019760537	0	51	-1.0	-48.02	408.77	2.93	-45.09
CC(CN(C)C(=O)C1(CNC(=O)OCC2=CC=CC=C2)COC1)C1=NN=N[N-]1	REAL300019760537	1	51	-1.0	-48.06	408.83	2.95	-45.11
CC(CN(C)C(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=N[N-]N=N1	REAL300019760538	0	45	-1.0	-45.19	367.08	3.73	-41.46
CC(CN(C)C(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=NN=N[N-]1	REAL300019760538	1	45	-1.0	-45.18	367.14	3.74	-41.44
CC(CN(C)C(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=N[N-]N=N1	REAL300019760539	0	41	-1.0	-47.87	341.56	6.49	-41.38
CC(CN(C)C(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=NN=N[N-]1	REAL300019760539	1	41	-1.0	-47.88	341.61	6.51	-41.37
CC(CN(C)C(=O)CN1N=C(C2CC2)N(C)C1=O)C1=N[N-]N=N1	REAL300019760540	0	42	-1.0	-54.39	351.07	4.82	-49.57
CC(CN(C)C(=O)CN1N=C(C2CC2)N(C)C1=O)C1=NN=N[N-]1	REAL300019760540	1	42	-1.0	-54.44	351.13	4.84	-49.60
CCN1C(C)=NN(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C1=O	REAL300019760541	0	41	-1.0	-59.52	341.20	4.28	-55.24
CCN1C(C)=NN(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C1=O	REAL300019760541	1	41	-1.0	-59.49	341.25	4.29	-55.20
CC(CN(C)C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=N[N-]N=N1	REAL300019760542	0	46	-1.0	-47.90	371.99	8.32	-39.58
CC(CN(C)C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=NN=N[N-]1	REAL300019760542	1	46	-1.0	-47.93	372.05	8.34	-39.59
CC1=CC(Cl)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1Br	REAL300019760543	0	35	-1.0	-42.34	318.06	5.70	-36.64
CC1=CC(Cl)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1Br	REAL300019760543	1	35	-1.0	-42.36	318.12	5.71	-36.65
CC(CN(C)C(=O)C1=CC(S(N)(=O)=O)=CS1)C1=N[N-]N=N1	REAL300019760544	0	34	-1.0	-50.12	308.02	-2.12	-52.24
CC(CN(C)C(=O)C1=CC(S(N)(=O)=O)=CS1)C1=NN=N[N-]1	REAL300019760544	1	34	-1.0	-50.14	308.07	-2.10	-52.24
CC(CN(C)C(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=N[N-]N=N1	REAL300019760545	0	37	-1.0	-54.69	310.73	1.46	-53.23
CC(CN(C)C(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=NN=N[N-]1	REAL300019760545	1	37	-1.0	-54.65	310.79	1.48	-53.17
CC(CN(C)C(=O)C(C)(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019760546	0	41	-1.0	-50.80	325.01	5.95	-44.85
CC(CN(C)C(=O)C(C)(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019760546	1	41	-1.0	-50.78	325.07	5.97	-44.81
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760547	0	45	-1.0	-48.84	354.07	6.51	-42.33
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760547	1	45	-1.0	-48.88	354.13	6.53	-42.35
COC1=CC=CC=C1N1N=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760548	0	43	-1.0	-46.99	345.48	4.74	-42.25
COC1=CC=CC=C1N1N=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760548	1	43	-1.0	-47.00	345.42	4.73	-42.27
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C2=CC=CC=C2F)=NO1	REAL300019760549	0	41	-1.0	-46.72	348.42	6.12	-40.60
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C2=CC=CC=C2F)=NO1	REAL300019760549	1	41	-1.0	-46.74	348.36	6.10	-40.64
CC(CN(C)C(=O)C1CCOCC12CCCCC2)C1=N[N-]N=N1	REAL300019760550	0	49	-1.0	-44.70	341.67	4.82	-39.88
CC(CN(C)C(=O)C1CCOCC12CCCCC2)C1=NN=N[N-]1	REAL300019760550	1	49	-1.0	-44.73	341.72	4.83	-39.90
CC(CN(C)C(=O)C1(C(F)(F)F)CC2CCC1CC2)C1=N[N-]N=N1	REAL300019760551	0	45	-1.0	-44.91	324.63	5.62	-39.29
CC(CN(C)C(=O)C1(C(F)(F)F)CC2CCC1CC2)C1=NN=N[N-]1	REAL300019760551	1	45	-1.0	-44.93	324.69	5.63	-39.30
CC(CN(C)C(=O)C(C1=CC=CC=C1)C(C)(F)F)C1=N[N-]N=N1	REAL300019760552	0	41	-1.0	-50.10	327.18	6.02	-44.08
CC(CN(C)C(=O)C(C1=CC=CC=C1)C(C)(F)F)C1=NN=N[N-]1	REAL300019760552	1	41	-1.0	-50.09	327.24	6.04	-44.05
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CCOC1)C1=N[N-]N=N1	REAL300019760553	0	43	-1.0	-49.39	328.99	4.19	-45.20
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CCOC1)C1=NN=N[N-]1	REAL300019760553	1	43	-1.0	-49.36	329.04	4.21	-45.15
CC1=CC=C(C2CCCCC2C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760554	0	51	-1.0	-43.81	377.41	8.46	-35.35
CC1=CC=C(C2CCCCC2C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760554	1	51	-1.0	-43.82	377.47	8.48	-35.34
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760555	0	57	-1.0	-48.64	426.48	8.11	-40.53
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760555	1	57	-1.0	-48.67	426.53	8.13	-40.54
CC(CN(C)C(=O)CCCN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300019760556	0	46	-1.0	-59.76	376.76	6.10	-53.66
CC(CN(C)C(=O)CCCN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300019760556	1	46	-1.0	-59.84	376.82	6.12	-53.72
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760557	0	44	-1.0	-60.32	369.56	7.35	-52.97
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760557	1	44	-1.0	-60.29	369.62	7.37	-52.92
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760558	0	52	-1.0	-41.79	393.98	2.20	-39.59
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760558	1	52	-1.0	-41.75	394.04	2.21	-39.54
CC(CN(C)C(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760559	0	55	-1.0	-47.24	416.87	2.82	-44.42
CC(CN(C)C(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760559	1	55	-1.0	-47.21	416.81	2.80	-44.41
CC(CN(C)C(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=N[N-]N=N1	REAL300019760560	0	59	-1.0	-48.97	444.23	6.14	-42.83
CC(CN(C)C(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=NN=N[N-]1	REAL300019760560	1	59	-1.0	-49.02	444.29	6.15	-42.87
CC(CN(C)C(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760561	0	55	-1.0	-49.10	414.64	5.53	-43.57
CC(CN(C)C(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760561	1	55	-1.0	-49.10	414.70	5.55	-43.55
CCC(C)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)N1	REAL300019760562	0	44	-1.0	-52.74	352.43	3.80	-48.94
CCC(C)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)N1	REAL300019760562	1	44	-1.0	-52.74	352.48	3.82	-48.92
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760563	0	54	-1.0	-50.29	409.95	8.45	-41.84
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760563	1	54	-1.0	-50.29	410.01	8.47	-41.82
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760564	0	42	-1.0	-50.08	347.98	6.55	-43.53
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760564	1	42	-1.0	-50.10	348.03	6.56	-43.54
CC(CN(C)C(=O)C1COC2=CC=C(Br)C=C2C1)C1=N[N-]N=N1	REAL300019760565	0	40	-1.0	-41.36	338.02	5.37	-35.99
CC(CN(C)C(=O)C1COC2=CC=C(Br)C=C2C1)C1=NN=N[N-]1	REAL300019760565	1	40	-1.0	-41.34	338.08	5.39	-35.95
CC1=CC=C(OC(C)C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C)=C1	REAL300019760566	0	45	-1.0	-50.86	355.19	6.80	-44.06
CC1=CC=C(OC(C)C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C)=C1	REAL300019760566	1	45	-1.0	-50.89	355.24	6.81	-44.08
CC(CN(C)C(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=N[N-]N=N1	REAL300019760567	0	45	-1.0	-53.65	362.52	0.69	-52.96
CC(CN(C)C(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=NN=N[N-]1	REAL300019760567	1	45	-1.0	-53.65	362.58	0.70	-52.95
CC(CN(C)C(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019760568	0	38	-1.0	-49.13	325.56	6.81	-42.32
CC(CN(C)C(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019760568	1	38	-1.0	-49.13	325.62	6.83	-42.30
CC(CN(C)C(=O)CC1CCC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019760569	0	42	-1.0	-45.05	348.94	7.51	-37.54
CC(CN(C)C(=O)CC1CCC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019760569	1	42	-1.0	-45.06	348.99	7.52	-37.54
CC(CN(C)C(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300019760570	0	41	-1.0	-44.36	339.65	5.74	-38.62
CC(CN(C)C(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019760570	1	41	-1.0	-44.31	339.59	5.73	-38.58
CC(CN(C)C(=O)C1=C(Cl)SC2=C1SN=N2)C1=NN=N[N-]1	REAL300019760571	0	30	-1.0	-40.97	300.50	2.69	-38.28
CC(CN(C)C(=O)C1=C(Cl)SC2=C1SN=N2)C1=N[N-]N=N1	REAL300019760571	1	30	-1.0	-40.98	300.44	2.68	-38.30
CC(CN(C)C(=O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760572	0	55	-1.0	-56.32	417.44	5.68	-50.64
CC(CN(C)C(=O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760572	1	55	-1.0	-56.30	417.50	5.69	-50.61
CC(CN(C)C(=O)C1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760573	0	55	-1.0	-51.18	415.32	5.63	-45.55
CC(CN(C)C(=O)C1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760573	1	55	-1.0	-51.19	415.37	5.64	-45.55
COC(=O)C1=COC2=C1NC(C(=O)N(C)CC(C)C1=N[N-]N=N1)=C2	REAL300019760574	0	39	-1.0	-46.44	332.01	3.51	-42.93
COC(=O)C1=COC2=C1NC(C(=O)N(C)CC(C)C1=NN=N[N-]1)=C2	REAL300019760574	1	39	-1.0	-46.45	332.07	3.52	-42.93
COC(=O)C1=CC(C)=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)NC2=C1	REAL300019760575	0	45	-1.0	-43.93	370.28	5.90	-38.03
COC(=O)C1=CC(C)=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)NC2=C1	REAL300019760575	1	45	-1.0	-43.97	370.34	5.91	-38.06
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL300019760576	0	37	-1.0	-49.95	325.29	3.75	-46.20
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL300019760576	1	37	-1.0	-49.94	325.35	3.76	-46.18
CC(CN(C)C(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=N[N-]N=N1	REAL300019760577	0	43	-1.0	-51.07	351.89	6.95	-44.12
CC(CN(C)C(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=NN=N[N-]1	REAL300019760577	1	43	-1.0	-51.03	351.95	6.97	-44.06
COC(=O)C1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL300019760578	0	41	-1.0	-51.18	332.96	5.28	-45.90
COC(=O)C1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL300019760578	1	41	-1.0	-51.18	333.02	5.29	-45.89
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CCCO1)C1=N[N-]N=N1	REAL300019760579	0	53	-1.0	-47.31	399.30	2.84	-44.47
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CCCO1)C1=NN=N[N-]1	REAL300019760579	1	53	-1.0	-47.37	399.36	2.85	-44.52
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CC=CC1)C1=N[N-]N=N1	REAL300019760580	0	50	-1.0	-49.93	380.59	4.50	-45.43
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CC=CC1)C1=NN=N[N-]1	REAL300019760580	1	50	-1.0	-49.92	380.64	4.51	-45.41
CC(CN(C)C(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019760581	0	45	-1.0	-56.33	367.32	6.60	-49.73
CC(CN(C)C(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019760581	1	45	-1.0	-56.42	367.38	6.61	-49.81
CC(CN(C)C(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=N[N-]N=N1	REAL300019760582	0	39	-1.0	-43.80	328.30	6.50	-37.30
CC(CN(C)C(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=NN=N[N-]1	REAL300019760582	1	39	-1.0	-43.78	328.36	6.52	-37.26
CC(CN(C)C(=O)C1=CC=C2CCOC(=O)C2=C1)C1=N[N-]N=N1	REAL300019760583	0	39	-1.0	-59.63	319.68	4.99	-54.64
CC(CN(C)C(=O)C1=CC=C2CCOC(=O)C2=C1)C1=NN=N[N-]1	REAL300019760583	1	39	-1.0	-59.61	319.73	5.01	-54.60
CC(CN(C)C(=O)C1=NOC2=C1CN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019760584	0	52	-1.0	-48.32	407.04	5.38	-42.94
CC(CN(C)C(=O)C1=NOC2=C1CN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019760584	1	52	-1.0	-48.35	407.10	5.39	-42.96
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760585	0	57	-1.0	-48.31	424.85	4.09	-44.22
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760585	1	57	-1.0	-48.30	424.90	4.11	-44.19
CC(CN(C)C(=O)C1CC2=CC(Br)=CN=C2C1)C1=N[N-]N=N1	REAL300019760586	0	38	-1.0	-42.80	324.90	4.79	-38.01
CC(CN(C)C(=O)C1CC2=CC(Br)=CN=C2C1)C1=NN=N[N-]1	REAL300019760586	1	38	-1.0	-42.82	324.95	4.81	-38.01
CC1=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)N=CC2=NN1	REAL300019760587	0	37	-1.0	-46.59	307.44	2.64	-43.95
CC1=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)N=CC2=NN1	REAL300019760587	1	37	-1.0	-46.54	307.49	2.65	-43.89
CC(CN(C)C(=O)C1=CN(CC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300019760588	0	35	-1.0	-48.34	308.27	5.59	-42.75
CC(CN(C)C(=O)C1=CN(CC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300019760588	1	35	-1.0	-48.36	308.21	5.58	-42.78
CC(CN(C)C(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300019760589	0	58	-1.0	-43.99	431.55	6.13	-37.86
CC(CN(C)C(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300019760589	1	58	-1.0	-44.07	431.61	6.14	-37.93
CC(CN(C)C(=O)CCCCC1CSSC1)C1=N[N-]N=N1	REAL300019760590	0	43	-1.0	-50.00	358.27	7.60	-42.40
CC(CN(C)C(=O)CCCCC1CSSC1)C1=NN=N[N-]1	REAL300019760590	1	43	-1.0	-50.01	358.33	7.62	-42.39
CNC(=O)N1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019760591	0	44	-1.0	-53.91	338.05	2.17	-51.74
CNC(=O)N1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019760591	1	44	-1.0	-53.92	338.10	2.18	-51.74
CC(CN(C)C(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL300019760592	0	37	-1.0	-42.03	315.26	4.86	-37.17
CC(CN(C)C(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL300019760592	1	37	-1.0	-42.04	315.21	4.84	-37.20
CC(CN(C)C(=O)C(C)(C)C1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760593	0	58	-1.0	-52.82	413.07	7.72	-45.10
CC(CN(C)C(=O)C(C)(C)C1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760593	1	58	-1.0	-52.83	413.13	7.73	-45.10
CC(CN(C)C(=O)C1CC2(CCC2)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760594	0	59	-1.0	-51.46	432.01	7.36	-44.10
CC(CN(C)C(=O)C1CC2(CCC2)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760594	1	59	-1.0	-51.46	432.06	7.38	-44.08
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CCCC1)C1=N[N-]N=N1	REAL300019760595	0	55	-1.0	-43.80	408.74	4.88	-38.92
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CCCC1)C1=NN=N[N-]1	REAL300019760595	1	55	-1.0	-43.82	408.80	4.90	-38.92
CC(CN(C)C(=O)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019760596	0	48	-1.0	-46.59	391.36	9.13	-37.46
CC(CN(C)C(=O)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019760596	1	48	-1.0	-46.61	391.42	9.15	-37.46
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760597	0	48	-1.0	-49.43	384.55	7.89	-41.54
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760597	1	48	-1.0	-49.45	384.61	7.90	-41.55
CC(CN(C)C(=O)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019760598	0	48	-1.0	-46.09	401.69	9.59	-36.50
CC(CN(C)C(=O)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019760598	1	48	-1.0	-46.07	401.75	9.61	-36.46
CC1=CC2=CC=CN=C2C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760599	0	40	-1.0	-56.92	326.14	5.33	-51.59
CC1=CC2=CC=CN=C2C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760599	1	40	-1.0	-56.93	326.09	5.31	-51.62
CC(CN(C)C(=O)CC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300019760600	0	32	-1.0	-46.98	302.13	4.85	-42.13
CC(CN(C)C(=O)CC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300019760600	1	32	-1.0	-46.98	302.19	4.86	-42.12
CC(CN(C)C(=O)C1=CC=CC=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019760601	0	42	-1.0	-55.68	344.10	5.32	-50.36
CC(CN(C)C(=O)C1=CC=CC=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019760601	1	42	-1.0	-55.62	344.04	5.31	-50.31
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300019760602	0	40	-1.0	-44.57	324.45	4.90	-39.67
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300019760602	1	40	-1.0	-44.58	324.39	4.88	-39.70
CC(CN(C)C(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019760603	0	43	-1.0	-47.52	367.72	8.41	-39.11
CC(CN(C)C(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019760603	1	43	-1.0	-47.54	367.78	8.42	-39.12
COC1(C2=CC=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C2)COC1	REAL300019760604	0	44	-1.0	-48.29	344.51	3.32	-44.97
COC1(C2=CC=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C2)COC1	REAL300019760604	1	44	-1.0	-48.26	344.57	3.34	-44.92
COCCN1C=CC2=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=CC=C21	REAL300019760605	0	46	-1.0	-51.89	374.85	5.81	-46.08
COCCN1C=CC2=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=CC=C21	REAL300019760605	1	46	-1.0	-51.90	374.91	5.83	-46.07
CC(C)N1C=CC2=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=CC=C21	REAL300019760606	0	45	-1.0	-52.59	359.02	7.20	-45.39
CC(C)N1C=CC2=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=CC=C21	REAL300019760606	1	45	-1.0	-52.60	359.07	7.22	-45.38
CCC(CC(=O)N(C)CC(C)C1=N[N-]N=N1)CC(F)(F)F	REAL300019760607	0	40	-1.0	-49.82	316.25	4.92	-44.90
CCC(CC(=O)N(C)CC(C)C1=NN=N[N-]1)CC(F)(F)F	REAL300019760607	1	40	-1.0	-49.77	316.30	4.92	-44.85
CC(CN(C)C(=O)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760608	0	48	-1.0	-42.47	389.34	9.08	-33.39
CC(CN(C)C(=O)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760608	1	48	-1.0	-42.45	389.39	9.10	-33.35
CC(CN(C)C(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=NN=N[N-]1	REAL300019760609	0	38	-1.0	-44.72	332.58	5.28	-39.44
CC(CN(C)C(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=N[N-]N=N1	REAL300019760609	1	38	-1.0	-44.68	332.52	5.27	-39.41
CC(CN(C)C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=NN=N[N-]1	REAL300019760610	0	38	-1.0	-44.37	342.89	5.74	-38.63
CC(CN(C)C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=N[N-]N=N1	REAL300019760610	1	38	-1.0	-44.35	342.84	5.72	-38.63
CC(CN(C)C(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL300019760611	0	38	-1.0	-45.78	342.91	5.74	-40.04
CC(CN(C)C(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL300019760611	1	38	-1.0	-45.76	342.85	5.72	-40.04
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N(C)CC(C)C3=N[N-]N=N3)N2C)C=C1	REAL300019760612	0	51	-1.0	-54.60	410.92	8.27	-46.33
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N(C)CC(C)C3=NN=N[N-]3)N2C)C=C1	REAL300019760612	1	51	-1.0	-54.62	410.98	8.28	-46.34
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=CC(F)=CC(F)=C21	REAL300019760613	0	39	-1.0	-42.66	331.03	4.68	-37.98
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=CC(F)=CC(F)=C21	REAL300019760613	1	39	-1.0	-42.70	331.09	4.70	-38.00
CC(CN(C)C(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300019760614	0	51	-1.0	-50.23	408.37	3.78	-46.45
CC(CN(C)C(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL300019760614	1	51	-1.0	-50.19	408.43	3.79	-46.40
CC(CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760615	0	55	-1.0	-44.82	413.17	4.26	-40.56
CC(CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760615	1	55	-1.0	-44.85	413.23	4.28	-40.57
CC(CN(C)C(=O)C1=CC=C(Cl)C(F)=C1F)C1=N[N-]N=N1	REAL300019760616	0	32	-1.0	-46.64	293.48	4.68	-41.96
CC(CN(C)C(=O)C1=CC=C(Cl)C(F)=C1F)C1=NN=N[N-]1	REAL300019760616	1	32	-1.0	-46.69	293.54	4.70	-41.99
COC(=O)CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760617	0	41	-1.0	-48.96	340.23	5.52	-43.44
COC(=O)CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760617	1	41	-1.0	-48.97	340.29	5.54	-43.43
CC(CN(C)C(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760618	0	58	-1.0	-43.99	438.43	3.07	-40.92
CC(CN(C)C(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760618	1	58	-1.0	-44.04	438.49	3.08	-40.96
CC(CN(C)C(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760619	0	59	-1.0	-43.84	433.08	3.01	-40.83
CC(CN(C)C(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760619	1	59	-1.0	-43.83	433.13	3.03	-40.80
CC(CN(C)C(=O)C1=CC(F)=C(F)C(F)=C1N)C1=N[N-]N=N1	REAL300019760620	0	34	-1.0	-41.16	296.14	2.35	-38.81
CC(CN(C)C(=O)C1=CC(F)=C(F)C(F)=C1N)C1=NN=N[N-]1	REAL300019760620	1	34	-1.0	-41.12	296.20	2.37	-38.75
CC(CN(C)C(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760621	0	55	-1.0	-54.87	412.92	6.04	-48.83
CC(CN(C)C(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760621	1	55	-1.0	-54.91	412.97	6.06	-48.85
CC(CN(C)C(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760622	0	49	-1.0	-57.43	375.63	4.05	-53.38
CC(CN(C)C(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760622	1	49	-1.0	-57.43	375.69	4.07	-53.36
CC(CN(C)C(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760623	0	57	-1.0	-39.97	407.53	5.19	-34.78
CC(CN(C)C(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760623	1	57	-1.0	-39.98	407.58	5.21	-34.77
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760624	0	58	-1.0	-45.00	438.98	3.11	-41.89
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760624	1	58	-1.0	-44.98	439.04	3.13	-41.85
CC(CN(C)C(=O)C1=C(Br)C=CN=C1F)C1=NN=N[N-]1	REAL300019760625	0	31	-1.0	-45.44	290.97	2.93	-42.51
CC(CN(C)C(=O)C1=C(Br)C=CN=C1F)C1=N[N-]N=N1	REAL300019760625	1	31	-1.0	-45.47	290.91	2.92	-42.55
CC(CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=N[N-]N=N1	REAL300019760626	0	52	-1.0	-42.59	403.03	5.21	-37.38
CC(CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=NN=N[N-]1	REAL300019760626	1	52	-1.0	-42.57	403.09	5.23	-37.34
CC(CN(C)C(=O)C1=C(N)C(F)=CC(F)=C1F)C1=N[N-]N=N1	REAL300019760627	0	34	-1.0	-41.44	296.38	2.38	-39.06
CC(CN(C)C(=O)C1=C(N)C(F)=CC(F)=C1F)C1=NN=N[N-]1	REAL300019760627	1	34	-1.0	-41.46	296.44	2.40	-39.06
CC(CN(C)C(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019760628	0	48	-1.0	-43.23	389.55	0.51	-42.72
CC(CN(C)C(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019760628	1	48	-1.0	-43.20	389.60	0.53	-42.67
CC(CN(C)C(=O)C1=CC(N(C)C)=CC=C1Br)C1=N[N-]N=N1	REAL300019760629	0	40	-1.0	-45.38	332.44	4.94	-40.44
CC(CN(C)C(=O)C1=CC(N(C)C)=CC=C1Br)C1=NN=N[N-]1	REAL300019760629	1	40	-1.0	-45.39	332.50	4.96	-40.43
CC(CN(C)C(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=N[N-]N=N1	REAL300019760630	0	42	-1.0	-50.89	345.17	2.56	-48.33
CC(CN(C)C(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=NN=N[N-]1	REAL300019760630	1	42	-1.0	-50.87	345.23	2.58	-48.29
CC(CN(C)C(=O)C(C)(NC(=O)OC(C)(C)C)C(F)(F)F)C1=N[N-]N=N1	REAL300019760631	0	48	-1.0	-54.08	375.14	3.47	-50.61
CC(CN(C)C(=O)C(C)(NC(=O)OC(C)(C)C)C(F)(F)F)C1=NN=N[N-]1	REAL300019760631	1	48	-1.0	-54.04	375.20	3.49	-50.55
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CC2(CCC2)C1)C1=N[N-]N=N1	REAL300019760632	0	59	-1.0	-44.89	440.12	5.17	-39.72
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CC2(CCC2)C1)C1=NN=N[N-]1	REAL300019760632	1	59	-1.0	-44.87	440.18	5.18	-39.69
CC(CN(C)C(=O)C12CCN(CCC1)S2(=O)=O)C1=N[N-]N=N1	REAL300019760633	0	41	-1.0	-53.64	317.16	0.28	-53.36
CC(CN(C)C(=O)C12CCN(CCC1)S2(=O)=O)C1=NN=N[N-]1	REAL300019760633	1	41	-1.0	-53.58	317.22	0.30	-53.28
CC(CN(C)C(=O)C1=CC=CN=C1OC1=CC=CN=C1)C1=NN=N[N-]1	REAL300019760634	0	41	-1.0	-51.64	344.58	3.47	-48.17
CC(CN(C)C(=O)C1=CC=CN=C1OC1=CC=CN=C1)C1=N[N-]N=N1	REAL300019760634	1	41	-1.0	-51.61	344.52	3.46	-48.15
CC1=CC=CC(C2(C(=O)N(C)CC(C)C3=N[N-]N=N3)CC2(F)F)=C1	REAL300019760635	0	42	-1.0	-44.31	338.06	6.75	-37.56
CC1=CC=CC(C2(C(=O)N(C)CC(C)C3=NN=N[N-]3)CC2(F)F)=C1	REAL300019760635	1	42	-1.0	-44.37	338.12	6.77	-37.60
CC(CN(C)C(=O)C1=C(C2CC2)ON=C1Br)C1=N[N-]N=N1	REAL300019760636	0	35	-1.0	-43.56	321.11	4.68	-38.88
CC(CN(C)C(=O)C1=C(C2CC2)ON=C1Br)C1=NN=N[N-]1	REAL300019760636	1	35	-1.0	-43.57	321.16	4.69	-38.88
CC(CN(C)C(=O)C1=CC2=C(N1)C(Br)=CO2)C1=N[N-]N=N1	REAL300019760637	0	33	-1.0	-42.58	296.52	3.36	-39.22
CC(CN(C)C(=O)C1=CC2=C(N1)C(Br)=CO2)C1=NN=N[N-]1	REAL300019760637	1	33	-1.0	-42.58	296.58	3.38	-39.20
CC(C)C1=CNC2=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=NC2=C1	REAL300019760638	0	44	-1.0	-56.67	352.93	5.02	-51.65
CC(C)C1=CNC2=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=NC2=C1	REAL300019760638	1	44	-1.0	-56.66	352.99	5.03	-51.63
CC(CN(C)C(=O)CC1=CC2=C(C=C1Br)OCO2)C1=N[N-]N=N1	REAL300019760639	0	38	-1.0	-49.59	334.13	4.26	-45.33
CC(CN(C)C(=O)CC1=CC2=C(C=C1Br)OCO2)C1=NN=N[N-]1	REAL300019760639	1	38	-1.0	-49.62	334.19	4.28	-45.34
CC(CN(C)C(=O)C1=C(Br)SC2=C1SN=N2)C1=NN=N[N-]1	REAL300019760640	0	30	-1.0	-40.71	303.78	2.75	-37.96
CC(CN(C)C(=O)C1=C(Br)SC2=C1SN=N2)C1=N[N-]N=N1	REAL300019760640	1	30	-1.0	-40.71	303.72	2.74	-37.97
CC(CN(C)C(=O)C1=NC2=CC(Br)=CNC2=N1)C1=N[N-]N=N1	REAL300019760641	0	34	-1.0	-61.17	309.16	3.63	-57.54
CC(CN(C)C(=O)C1=NC2=CC(Br)=CNC2=N1)C1=NN=N[N-]1	REAL300019760641	1	34	-1.0	-61.19	309.22	3.64	-57.55
CC(CN(C)C(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=N[N-]N=N1	REAL300019760642	0	56	-1.0	-59.62	434.27	3.30	-56.32
CC(CN(C)C(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=NN=N[N-]1	REAL300019760642	1	56	-1.0	-59.65	434.32	3.31	-56.34
CC(CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=N[N-]N=N1	REAL300019760643	0	59	-1.0	-56.27	433.58	6.50	-49.77
CC(CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=NN=N[N-]1	REAL300019760643	1	59	-1.0	-56.26	433.64	6.51	-49.75
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760644	0	55	-1.0	-45.00	418.70	2.37	-42.63
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760644	1	55	-1.0	-45.02	418.76	2.38	-42.64
C#CCC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019760645	0	54	-1.0	-56.95	411.52	5.45	-51.50
C#CCC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019760645	1	54	-1.0	-56.93	411.58	5.47	-51.46
CC(CN(C)C(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=N[N-]N=N1	REAL300019760646	0	54	-1.0	-51.22	411.83	5.88	-45.34
CC(CN(C)C(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=NN=N[N-]1	REAL300019760646	1	54	-1.0	-51.24	411.89	5.89	-45.35
CCOC1=CC(Br)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1N	REAL300019760647	0	41	-1.0	-43.11	349.60	3.10	-40.01
CCOC1=CC(Br)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1N	REAL300019760647	1	41	-1.0	-43.09	349.66	3.12	-39.97
CC(CN(C)C(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL300019760648	0	56	-1.0	-48.21	423.69	5.91	-42.30
CC(CN(C)C(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL300019760648	1	56	-1.0	-48.28	423.75	5.93	-42.35
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019760649	0	39	-1.0	-46.61	336.03	6.91	-39.70
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019760649	1	39	-1.0	-46.60	336.09	6.92	-39.68
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=N[N-]N=N1	REAL300019760650	0	52	-1.0	-47.69	408.07	2.30	-45.39
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=NN=N[N-]1	REAL300019760650	1	52	-1.0	-47.73	408.13	2.32	-45.41
C=CCN(CCC(=O)N(C)CC(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019760651	0	52	-1.0	-48.64	408.05	5.94	-42.70
C=CCN(CCC(=O)N(C)CC(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019760651	1	52	-1.0	-48.61	408.10	5.96	-42.65
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760652	0	55	-1.0	-39.76	417.14	4.85	-34.91
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760652	1	55	-1.0	-39.73	417.19	4.86	-34.87
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL300019760653	0	41	-1.0	-44.22	321.59	6.68	-37.54
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL300019760653	1	41	-1.0	-44.22	321.64	6.69	-37.53
COC1=CC=CC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL300019760654	0	41	-1.0	-46.95	338.35	2.64	-44.31
COC1=CC=CC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL300019760654	1	41	-1.0	-46.92	338.40	2.65	-44.27
CC(CN(C)C(=O)C1=NN(C)C2=C1COCC2)C1=N[N-]N=N1	REAL300019760655	0	40	-1.0	-50.46	320.31	2.48	-47.98
CC(CN(C)C(=O)C1=NN(C)C2=C1COCC2)C1=NN=N[N-]1	REAL300019760655	1	40	-1.0	-50.45	320.36	2.50	-47.95
CC1=CC=C(C2(C(=O)N(C)CC(C)C3=N[N-]N=N3)CCC(=O)CC2)C=C1	REAL300019760656	0	50	-1.0	-43.98	366.03	6.66	-37.32
CC1=CC=C(C2(C(=O)N(C)CC(C)C3=NN=N[N-]3)CCC(=O)CC2)C=C1	REAL300019760656	1	50	-1.0	-43.93	366.09	6.68	-37.25
CC(CN(C)C(=O)C1(C2CCOCC2)CC1(F)F)C1=N[N-]N=N1	REAL300019760657	0	43	-1.0	-52.79	333.90	3.72	-49.07
CC(CN(C)C(=O)C1(C2CCOCC2)CC1(F)F)C1=NN=N[N-]1	REAL300019760657	1	43	-1.0	-52.79	333.96	3.74	-49.05
CC(CN(C)C(=O)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019760658	0	37	-1.0	-52.03	330.39	4.43	-47.60
CC(CN(C)C(=O)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019760658	1	37	-1.0	-52.05	330.33	4.42	-47.63
CC(CN(C)C(=O)C1=C(C(F)(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300019760659	0	40	-1.0	-48.21	334.69	2.99	-45.22
CC(CN(C)C(=O)C1=C(C(F)(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300019760659	1	40	-1.0	-48.22	334.64	2.98	-45.24
CC(CN(C)C(=O)C1=CC2=C(C=CS2)N1C)C1=N[N-]N=N1	REAL300019760660	0	36	-1.0	-42.92	303.11	4.68	-38.24
CC(CN(C)C(=O)C1=CC2=C(C=CS2)N1C)C1=NN=N[N-]1	REAL300019760660	1	36	-1.0	-42.93	303.17	4.70	-38.23
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1CC(F)F	REAL300019760661	0	38	-1.0	-47.37	320.53	3.41	-43.96
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1CC(F)F	REAL300019760661	1	38	-1.0	-47.37	320.59	3.43	-43.94
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=NN1C1CCC1	REAL300019760662	0	42	-1.0	-46.49	332.93	4.51	-41.98
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=NN1C1CCC1	REAL300019760662	1	42	-1.0	-46.48	332.99	4.52	-41.96
CC(CN(C)C(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760663	0	53	-1.0	-47.71	408.80	1.86	-45.85
CC(CN(C)C(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760663	1	53	-1.0	-47.73	408.86	1.88	-45.85
CC(CN(C)C(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL300019760664	0	39	-1.0	-50.84	348.69	4.33	-46.51
CC(CN(C)C(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL300019760664	1	39	-1.0	-50.88	348.74	4.35	-46.53
CC(CN(C)C(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760665	0	52	-1.0	-47.97	400.56	1.61	-46.36
CC(CN(C)C(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760665	1	52	-1.0	-47.95	400.51	1.59	-46.36
CC(CN(C)C(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019760666	0	55	-1.0	-47.84	416.00	6.06	-41.78
CC(CN(C)C(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019760666	1	55	-1.0	-47.83	416.06	6.08	-41.75
COC1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019760667	0	50	-1.0	-46.59	387.24	2.55	-44.04
COC1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019760667	1	50	-1.0	-46.62	387.30	2.56	-44.06
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=N[N-]N=N1	REAL300019760668	0	59	-1.0	-41.22	436.43	6.15	-35.07
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=NN=N[N-]1	REAL300019760668	1	59	-1.0	-41.20	436.49	6.17	-35.03
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=N[N-]N=N1	REAL300019760669	0	58	-1.0	-44.43	428.07	5.41	-39.02
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=NN=N[N-]1	REAL300019760669	1	58	-1.0	-44.45	428.13	5.43	-39.02
CC(CN(C)C(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760670	0	59	-1.0	-46.09	433.68	5.08	-41.01
CC(CN(C)C(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760670	1	59	-1.0	-46.06	433.74	5.10	-40.96
CC(CN(C)C(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760671	0	56	-1.0	-52.29	414.79	1.64	-50.65
CC(CN(C)C(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760671	1	56	-1.0	-52.30	414.85	1.65	-50.65
CC(CN(C)C(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019760672	0	58	-1.0	-50.62	429.12	4.75	-45.87
CC(CN(C)C(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019760672	1	58	-1.0	-50.61	429.17	4.77	-45.84
CC(CN(C)C(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=N[N-]N=N1	REAL300019760673	0	48	-1.0	-49.83	394.82	4.08	-45.75
CC(CN(C)C(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=NN=N[N-]1	REAL300019760673	1	48	-1.0	-49.88	394.88	4.09	-45.79
CC(CN(C)C(=O)C1(CF)CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019760674	0	55	-1.0	-47.50	401.05	5.25	-42.25
CC(CN(C)C(=O)C1(CF)CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019760674	1	55	-1.0	-47.51	401.10	5.26	-42.25
CC(CN(C)C(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2)C1=N[N-]N=N1	REAL300019760675	0	59	-1.0	-43.34	420.21	4.43	-38.91
CC(CN(C)C(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2)C1=NN=N[N-]1	REAL300019760675	1	59	-1.0	-43.38	420.27	4.45	-38.93
CC(CN(C)C(=O)C1=NN(C)C=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760676	0	49	-1.0	-44.19	387.26	2.87	-41.32
CC(CN(C)C(=O)C1=NN(C)C=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760676	1	49	-1.0	-44.17	387.31	2.89	-41.28
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019760677	0	35	-1.0	-46.94	313.42	5.50	-41.44
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019760677	1	35	-1.0	-46.93	313.48	5.52	-41.41
CC(CN(C)C(=O)C1(C2=CC=C(Cl)C=C2F)CC1)C1=N[N-]N=N1	REAL300019760678	0	39	-1.0	-47.51	336.42	6.52	-40.99
CC(CN(C)C(=O)C1(C2=CC=C(Cl)C=C2F)CC1)C1=NN=N[N-]1	REAL300019760678	1	39	-1.0	-47.47	336.47	6.53	-40.94
COC1=NN(C)C(Br)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760679	0	36	-1.0	-44.98	326.09	0.49	-44.49
COC1=NN(C)C(Br)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760679	1	36	-1.0	-45.01	326.03	0.48	-44.53
CC(=O)NC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(F)=C1	REAL300019760680	0	39	-1.0	-60.73	326.02	3.05	-57.68
CC(=O)NC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(F)=C1	REAL300019760680	1	39	-1.0	-60.74	326.07	3.06	-57.68
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL300019760681	0	56	-1.0	-50.10	429.75	2.66	-47.44
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019760681	1	56	-1.0	-50.10	429.81	2.68	-47.42
CC(CN(C)C(=O)CC1=CC(C(F)(F)F)=CO1)C1=N[N-]N=N1	REAL300019760682	0	35	-1.0	-50.12	312.00	4.32	-45.80
CC(CN(C)C(=O)CC1=CC(C(F)(F)F)=CO1)C1=NN=N[N-]1	REAL300019760682	1	35	-1.0	-50.10	312.05	4.33	-45.77
CC(CN(C)C(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=N[N-]N=N1	REAL300019760683	0	45	-1.0	-67.39	363.59	3.21	-64.18
CC(CN(C)C(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=NN=N[N-]1	REAL300019760683	1	45	-1.0	-67.41	363.65	3.22	-64.19
CC1=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)SC2=C(C)S1	REAL300019760684	0	38	-1.0	-42.95	334.61	5.94	-37.01
CC1=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)SC2=C(C)S1	REAL300019760684	1	38	-1.0	-42.96	334.67	5.96	-37.00
CC(CN(C)C(=O)C1N(C(=O)OC(C)(C)C)CCC12CCC2)C1=N[N-]N=N1	REAL300019760685	0	56	-1.0	-51.66	421.87	6.38	-45.28
CC(CN(C)C(=O)C1N(C(=O)OC(C)(C)C)CCC12CCC2)C1=NN=N[N-]1	REAL300019760685	1	56	-1.0	-51.61	421.92	6.40	-45.21
CC(CN(C)C(=O)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760686	0	55	-1.0	-53.66	408.29	3.93	-49.73
CC(CN(C)C(=O)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760686	1	55	-1.0	-53.67	408.35	3.95	-49.72
CC(CN(C)C(=O)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760687	0	57	-1.0	-46.68	423.32	7.29	-39.39
CC(CN(C)C(=O)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760687	1	57	-1.0	-46.70	423.38	7.30	-39.40
CC(CN(C)C(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=N[N-]N=N1	REAL300019760688	0	35	-1.0	-48.61	333.30	6.51	-42.10
CC(CN(C)C(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=NN=N[N-]1	REAL300019760688	1	35	-1.0	-48.63	333.35	6.53	-42.10
CC(CN(C)C(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300019760689	0	44	-1.0	-54.44	330.31	1.24	-53.20
CC(CN(C)C(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300019760689	1	44	-1.0	-54.45	330.36	1.26	-53.19
CC(CN(C)C(=O)CN1C=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300019760690	0	39	-1.0	-52.03	330.09	6.60	-45.43
CC(CN(C)C(=O)CN1C=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300019760690	1	39	-1.0	-52.09	330.15	6.61	-45.48
CC(CN(C)C(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=N[N-]N=N1	REAL300019760691	0	48	-1.0	-63.78	386.60	7.10	-56.68
CC(CN(C)C(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=NN=N[N-]1	REAL300019760691	1	48	-1.0	-63.77	386.65	7.11	-56.66
CC(CN(C)C(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=N[N-]N=N1	REAL300019760692	0	46	-1.0	-50.65	365.64	5.84	-44.81
CC(CN(C)C(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=NN=N[N-]1	REAL300019760692	1	46	-1.0	-50.62	365.69	5.86	-44.76
CC(CN(C)C(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=N[N-]N=N1	REAL300019760693	0	40	-1.0	-53.56	337.44	5.04	-48.52
CC(CN(C)C(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=NN=N[N-]1	REAL300019760693	1	40	-1.0	-53.55	337.50	5.06	-48.49
COC1=CC2=NC=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C2C=C1	REAL300019760694	0	41	-1.0	-47.86	332.45	3.74	-44.12
COC1=CC2=NC=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=C2C=C1	REAL300019760694	1	41	-1.0	-47.87	332.39	3.73	-44.14
CCSC1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019760695	0	45	-1.0	-46.33	349.64	6.31	-40.02
CCSC1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019760695	1	45	-1.0	-46.33	349.69	6.33	-40.00
CC1=CC(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(C)=N1	REAL300019760696	0	43	-1.0	-47.15	349.93	5.37	-41.78
CC1=CC(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(C)=N1	REAL300019760696	1	43	-1.0	-47.19	349.98	5.39	-41.80
CC1=CC2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2C=C1	REAL300019760697	0	41	-1.0	-47.81	331.47	6.99	-40.82
CC1=CC2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2C=C1	REAL300019760697	1	41	-1.0	-47.78	331.53	7.00	-40.78
CC(CN(C)C(=O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760698	0	55	-1.0	-51.58	417.07	5.69	-45.89
CC(CN(C)C(=O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760698	1	55	-1.0	-51.58	417.13	5.70	-45.88
CC(CN(C)C(=O)C1=CSC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019760699	0	29	-1.0	-33.04	280.17	3.77	-29.27
CC(CN(C)C(=O)C1=CSC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300019760699	1	29	-1.0	-33.06	280.22	3.79	-29.27
CC(CN(C)C(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=N[N-]N=N1	REAL300019760700	0	44	-1.0	-51.74	355.30	3.52	-48.22
CC(CN(C)C(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=NN=N[N-]1	REAL300019760700	1	44	-1.0	-51.70	355.35	3.53	-48.17
CC1=NN(C2CCC2)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760701	0	42	-1.0	-50.02	329.63	4.37	-45.65
CC1=NN(C2CCC2)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760701	1	42	-1.0	-50.06	329.69	4.39	-45.67
CC(CN(C)C(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=NN=N[N-]1	REAL300019760702	0	39	-1.0	-45.38	327.68	5.26	-40.12
CC(CN(C)C(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=N[N-]N=N1	REAL300019760702	1	39	-1.0	-45.39	327.63	5.25	-40.14
CC(CN(C)C(=O)C1=CNC=C1Br)C1=N[N-]N=N1	REAL300019760703	0	30	-1.0	-49.74	271.39	2.57	-47.17
CC(CN(C)C(=O)C1=CNC=C1Br)C1=NN=N[N-]1	REAL300019760703	1	30	-1.0	-49.75	271.45	2.58	-47.17
CC(CN(C)C(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019760704	0	42	-1.0	-59.29	363.64	4.07	-55.22
CC(CN(C)C(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019760704	1	42	-1.0	-59.34	363.69	4.08	-55.26
CC(CN(C)C(=O)C1CC(OC(F)(F)F)C1)C1=N[N-]N=N1	REAL300019760705	0	36	-1.0	-40.99	307.27	2.87	-38.12
CC(CN(C)C(=O)C1CC(OC(F)(F)F)C1)C1=NN=N[N-]1	REAL300019760705	1	36	-1.0	-41.01	307.33	2.89	-38.12
CC(CN(C)C(=O)C1=CC(S(C)(=O)=O)=CO1)C1=N[N-]N=N1	REAL300019760706	0	35	-1.0	-51.06	310.15	-0.02	-51.08
CC(CN(C)C(=O)C1=CC(S(C)(=O)=O)=CO1)C1=NN=N[N-]1	REAL300019760706	1	35	-1.0	-51.04	310.21	-0.01	-51.05
CC(CN(C)C(=O)CC1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL300019760707	0	43	-1.0	-50.23	344.14	5.20	-45.03
CC(CN(C)C(=O)CC1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL300019760707	1	43	-1.0	-50.23	344.20	5.21	-45.02
CC(CN(C)C(=O)CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300019760708	0	43	-1.0	-50.37	344.14	5.20	-45.17
CC(CN(C)C(=O)CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300019760708	1	43	-1.0	-50.34	344.20	5.21	-45.13
CC(CN(C)C(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=NN=N[N-]1	REAL300019760709	0	41	-1.0	-44.10	339.65	5.74	-38.36
CC(CN(C)C(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=N[N-]N=N1	REAL300019760709	1	41	-1.0	-44.12	339.59	5.73	-38.39
CC1=NC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1Br	REAL300019760710	0	34	-1.0	-43.05	300.10	4.43	-38.62
CC1=NC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1Br	REAL300019760710	1	34	-1.0	-43.01	300.16	4.45	-38.56
COC1=CC(Br)=CN=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760711	0	35	-1.0	-46.97	309.18	4.49	-42.48
COC1=CC(Br)=CN=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760711	1	35	-1.0	-47.01	309.12	4.47	-42.54
CC(CN(C)C(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=N[N-]N=N1	REAL300019760712	0	41	-1.0	-57.81	345.61	1.69	-56.12
CC(CN(C)C(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=NN=N[N-]1	REAL300019760712	1	41	-1.0	-57.84	345.67	1.71	-56.13
CC(CN(C)C(=O)C1=CC=C2SCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300019760713	0	39	-1.0	-53.85	328.37	5.34	-48.51
CC(CN(C)C(=O)C1=CC=C2SCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300019760713	1	39	-1.0	-53.89	328.43	5.36	-48.53
CCC1=CC=C(N2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)N=N2)C=C1	REAL300019760714	0	44	-1.0	-42.29	362.98	5.87	-36.42
CCC1=CC=C(N2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)N=N2)C=C1	REAL300019760714	1	44	-1.0	-42.25	362.93	5.85	-36.40
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760715	0	47	-1.0	-45.95	392.10	3.50	-42.45
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760715	1	47	-1.0	-45.99	392.16	3.52	-42.47
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760716	0	47	-1.0	-49.76	391.97	3.49	-46.27
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760716	1	47	-1.0	-49.74	392.03	3.50	-46.24
CC(CN(C)C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019760717	0	37	-2.0	-78.89	328.00	2.69	-76.20
CC(CN(C)C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019760717	1	37	-2.0	-78.95	328.06	2.70	-76.25
CC(CN(C)C(=O)C1CC(F)(F)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760718	0	52	-1.0	-48.18	389.21	5.42	-42.76
CC(CN(C)C(=O)C1CC(F)(F)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760718	1	52	-1.0	-48.22	389.27	5.43	-42.79
CC(CN(C)C(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=NN=N[N-]1	REAL300019760719	0	42	-1.0	-45.41	366.18	6.77	-38.64
CC(CN(C)C(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=N[N-]N=N1	REAL300019760719	1	42	-1.0	-45.43	366.12	6.76	-38.67
CC(CN(C)C(=O)CC1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL300019760720	0	41	-1.0	-48.41	321.38	5.51	-42.90
CC(CN(C)C(=O)CC1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL300019760720	1	41	-1.0	-48.46	321.44	5.52	-42.94
CC(C)CC(CCC1=CC=CC=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760721	0	53	-1.0	-48.00	400.45	8.81	-39.19
CC(C)CC(CCC1=CC=CC=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760721	1	53	-1.0	-47.97	400.51	8.83	-39.14
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760722	0	43	-1.0	-47.04	352.70	5.88	-41.16
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760722	1	43	-1.0	-47.02	352.76	5.90	-41.12
CC1=NN=NN1C1=CC(F)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760723	0	40	-1.0	-43.30	337.55	4.18	-39.12
CC1=NN=NN1C1=CC(F)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760723	1	40	-1.0	-43.27	337.61	4.20	-39.07
CC(CN(C)C(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=N[N-]N=N1	REAL300019760724	0	47	-1.0	-48.52	362.43	6.48	-42.04
CC(CN(C)C(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=NN=N[N-]1	REAL300019760724	1	47	-1.0	-48.54	362.49	6.50	-42.04
CC(CN(C)C(=O)C1=CC2=CN=CC(Br)=C2S1)C1=NN=N[N-]1	REAL300019760725	0	34	-1.0	-40.85	315.45	4.19	-36.66
CC(CN(C)C(=O)C1=CC2=CN=CC(Br)=C2S1)C1=N[N-]N=N1	REAL300019760725	1	34	-1.0	-40.83	315.39	4.18	-36.65
CC(CN(C)C(=O)C1CCC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL300019760726	0	43	-1.0	-45.36	332.76	3.83	-41.53
CC(CN(C)C(=O)C1CCC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL300019760726	1	43	-1.0	-45.35	332.82	3.85	-41.50
CC(CN(C)C(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019760727	0	48	-1.0	-49.67	374.43	3.95	-45.72
CC(CN(C)C(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019760727	1	48	-1.0	-49.69	374.49	3.96	-45.73
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300019760728	0	45	-1.0	-51.89	362.04	5.58	-46.31
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300019760728	1	45	-1.0	-51.93	362.10	5.59	-46.34
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=N[N-]N=N1	REAL300019760729	0	39	-1.0	-48.20	338.31	6.89	-41.31
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=NN=N[N-]1	REAL300019760729	1	39	-1.0	-48.16	338.36	6.90	-41.26
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CC2CCC1C2)C1=N[N-]N=N1	REAL300019760730	0	59	-1.0	-44.69	421.12	4.64	-40.05
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CC2CCC1C2)C1=NN=N[N-]1	REAL300019760730	1	59	-1.0	-44.67	421.18	4.66	-40.01
CC(CN(C)C(=O)C1=CC(Cl)=NC=C1C#N)C1=NN=N[N-]1	REAL300019760731	0	32	-1.0	-45.56	296.44	3.06	-42.50
CC(CN(C)C(=O)C1=CC(Cl)=NC=C1C#N)C1=N[N-]N=N1	REAL300019760731	1	32	-1.0	-45.57	296.38	3.04	-42.53
CC(CN(C)C(=O)C1=CC=CC2=C1C(=O)NC2)C1=N[N-]N=N1	REAL300019760732	0	37	-1.0	-66.71	304.67	2.64	-64.07
CC(CN(C)C(=O)C1=CC=CC2=C1C(=O)NC2)C1=NN=N[N-]1	REAL300019760732	1	37	-1.0	-66.71	304.72	2.65	-64.06
CC(CN(C)C(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL300019760733	0	42	-1.0	-47.37	341.70	3.72	-43.65
CC(CN(C)C(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL300019760733	1	42	-1.0	-47.42	341.75	3.74	-43.68
CCC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1Cl	REAL300019760734	0	38	-1.0	-44.49	318.99	5.89	-38.60
CCC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1Cl	REAL300019760734	1	38	-1.0	-44.47	319.05	5.91	-38.56
CC1=CN=C(N2CCOCC2)N=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760735	0	46	-1.0	-44.66	367.42	3.22	-41.44
CC1=CN=C(N2CCOCC2)N=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760735	1	46	-1.0	-44.66	367.36	3.21	-41.45
CC(CN(C)C(=O)C1=NSC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019760736	0	34	-1.0	-39.88	315.12	5.39	-34.49
CC(CN(C)C(=O)C1=NSC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019760736	1	34	-1.0	-39.88	315.06	5.37	-34.51
CC(CN(C)C(=O)C1=CC(Br)=C2OC=CC2=C1)C1=N[N-]N=N1	REAL300019760737	0	35	-1.0	-46.26	310.98	5.00	-41.26
CC(CN(C)C(=O)C1=CC(Br)=C2OC=CC2=C1)C1=NN=N[N-]1	REAL300019760737	1	35	-1.0	-46.26	311.04	5.02	-41.24
CC(CN(C)C(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=NN=N[N-]1	REAL300019760738	0	34	-1.0	-48.14	308.05	3.99	-44.15
CC(CN(C)C(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=N[N-]N=N1	REAL300019760738	1	34	-1.0	-48.18	307.99	3.97	-44.21
CC(CN(C)C(=O)CCC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300019760739	0	39	-1.0	-49.07	338.12	6.33	-42.74
CC(CN(C)C(=O)CCC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300019760739	1	39	-1.0	-49.10	338.17	6.34	-42.76
CC(CN(C)C(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=N[N-]N=N1	REAL300019760740	0	38	-1.0	-47.14	322.02	1.37	-45.77
CC(CN(C)C(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=NN=N[N-]1	REAL300019760740	1	38	-1.0	-47.14	322.08	1.39	-45.75
CC(CN(C)C(=O)C1=CN=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019760741	0	41	-1.0	-45.56	321.76	4.65	-40.91
CC(CN(C)C(=O)C1=CN=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019760741	1	41	-1.0	-45.54	321.82	4.67	-40.87
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760742	0	40	-1.0	-42.62	325.09	5.96	-36.66
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760742	1	40	-1.0	-42.61	325.14	5.97	-36.64
CC(CN(C)C(=O)C1CCC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019760743	0	42	-1.0	-42.34	335.83	6.91	-35.43
CC(CN(C)C(=O)C1CCC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019760743	1	42	-1.0	-42.36	335.88	6.93	-35.43
COCCN1C=CC2=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC=C21	REAL300019760744	0	46	-1.0	-50.96	371.70	5.74	-45.22
COCCN1C=CC2=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC=C21	REAL300019760744	1	46	-1.0	-50.95	371.75	5.76	-45.19
CC(C)N1C=CC2=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC=C21	REAL300019760745	0	45	-1.0	-51.16	356.06	7.16	-44.00
CC(C)N1C=CC2=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC=C21	REAL300019760745	1	45	-1.0	-51.16	356.11	7.18	-43.98
CC(CN(C)C(=O)C=CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019760746	0	39	-1.0	-50.46	325.55	4.29	-46.17
CC(CN(C)C(=O)C=CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019760746	1	39	-1.0	-50.47	325.60	4.31	-46.16
CC(CN(C)C(=O)C1=CC2=C(Br)C=NC=C2C=C1)C1=NN=N[N-]1	REAL300019760747	0	37	-1.0	-45.78	323.81	5.09	-40.69
CC(CN(C)C(=O)C1=CC2=C(Br)C=NC=C2C=C1)C1=N[N-]N=N1	REAL300019760747	1	37	-1.0	-45.75	323.76	5.08	-40.67
C=CCOCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C(C)(C)C	REAL300019760748	0	48	-1.0	-44.07	360.92	5.13	-38.94
C=CCOCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C(C)(C)C	REAL300019760748	1	48	-1.0	-44.08	360.98	5.14	-38.94
CC(CN(C)C(=O)C1CC2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300019760749	0	44	-1.0	-54.11	330.00	1.13	-52.98
CC(CN(C)C(=O)C1CC2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300019760749	1	44	-1.0	-54.12	330.06	1.15	-52.97
CC1=NN(C2CCC2)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760750	0	42	-1.0	-42.35	330.97	4.64	-37.71
CC1=NN(C2CCC2)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760750	1	42	-1.0	-42.36	331.02	4.65	-37.71
CC(CN(C)C(=O)C1=CC=NN1CCC(F)(F)F)C1=NN=N[N-]1	REAL300019760751	0	38	-1.0	-42.85	322.33	3.87	-38.98
CC(CN(C)C(=O)C1=CC=NN1CCC(F)(F)F)C1=N[N-]N=N1	REAL300019760751	1	38	-1.0	-42.83	322.27	3.86	-38.97
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760752	0	43	-1.0	-45.00	361.24	6.35	-38.65
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760752	1	43	-1.0	-45.06	361.29	6.36	-38.70
CC(CN(C)C(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=N[N-]N=N1	REAL300019760753	0	38	-1.0	-42.94	338.09	3.36	-39.58
CC(CN(C)C(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=NN=N[N-]1	REAL300019760753	1	38	-1.0	-42.96	338.15	3.38	-39.58
CC(CN(C)C(=O)C=CC1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300019760754	0	36	-1.0	-49.92	321.74	6.17	-43.75
CC(CN(C)C(=O)C=CC1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300019760754	1	36	-1.0	-49.90	321.79	6.19	-43.71
CC(=O)NC(COC(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760755	0	45	-1.0	-54.04	354.94	2.27	-51.77
CC(=O)NC(COC(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760755	1	45	-1.0	-54.14	355.01	2.29	-51.85
CCCCOC1=CC=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760756	0	49	-1.0	-47.80	393.78	7.43	-40.37
CCCCOC1=CC=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760756	1	49	-1.0	-47.81	393.83	7.45	-40.36
COC1=CC2=CC=C(CC(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2C=C1	REAL300019760757	0	45	-1.0	-51.32	365.89	6.66	-44.66
COC1=CC2=CC=C(CC(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2C=C1	REAL300019760757	1	45	-1.0	-51.33	365.95	6.68	-44.65
CC(C)CC(CC1=CC=CC=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760758	0	50	-1.0	-46.33	384.03	8.15	-38.18
CC(C)CC(CC1=CC=CC=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760758	1	50	-1.0	-46.31	384.09	8.17	-38.14
COC1=CC=C(Br)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1C	REAL300019760759	0	39	-1.0	-47.55	337.41	4.67	-42.88
COC1=CC=C(Br)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1C	REAL300019760759	1	39	-1.0	-47.59	337.47	4.68	-42.91
CC(CN(C)C(=O)C1=C(Cl)C=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL300019760760	0	32	-1.0	-43.71	322.39	5.68	-38.03
CC(CN(C)C(=O)C1=C(Cl)C=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL300019760760	1	32	-1.0	-43.75	322.45	5.70	-38.05
COC1=NC=C(Cl)C(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760761	0	38	-1.0	-42.98	326.38	1.85	-41.13
COC1=NC=C(Cl)C(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760761	1	38	-1.0	-42.98	326.44	1.87	-41.11
CCCCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019760762	0	57	-1.0	-48.01	422.85	10.08	-37.93
CCCCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019760762	1	57	-1.0	-47.97	422.91	10.10	-37.87
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760763	0	42	-1.0	-62.20	358.44	3.65	-58.55
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760763	1	42	-1.0	-62.27	358.50	3.67	-58.60
CC(CN(C)C(=O)C1=CC(F)=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300019760764	0	32	-1.0	-39.64	296.68	4.73	-34.91
CC(CN(C)C(=O)C1=CC(F)=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300019760764	1	32	-1.0	-39.64	296.74	4.75	-34.89
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL300019760765	0	38	-1.0	-46.99	327.32	5.05	-41.94
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL300019760765	1	38	-1.0	-46.97	327.38	5.07	-41.90
CC(CN(C)C(=O)[C@H]1CCC=CCC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760766	0	59	-1.0	-49.82	422.02	6.67	-43.15
CC(CN(C)C(=O)[C@H]1CCC=CCC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760766	1	59	-1.0	-49.77	422.08	6.68	-43.09
CC(CN(C)C(=O)C1=NC=C(F)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019760767	0	37	-1.0	-43.02	315.52	4.71	-38.31
CC(CN(C)C(=O)C1=NC=C(F)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019760767	1	37	-1.0	-43.03	315.46	4.69	-38.34
COC(=O)C1=CC=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=N1	REAL300019760768	0	41	-1.0	-49.93	350.11	4.46	-45.47
COC(=O)C1=CC=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=N1	REAL300019760768	1	41	-1.0	-49.88	350.17	4.48	-45.40
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760769	0	41	-1.0	-48.26	346.64	6.66	-41.60
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760769	1	41	-1.0	-48.25	346.70	6.68	-41.57
CC(CN(C)C(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019760770	0	41	-1.0	-46.19	337.96	6.47	-39.72
CC(CN(C)C(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019760770	1	41	-1.0	-46.28	338.02	6.48	-39.80
CC(CN(C)C(=O)CC1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019760771	0	44	-1.0	-52.24	353.25	4.94	-47.30
CC(CN(C)C(=O)CC1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019760771	1	44	-1.0	-52.23	353.19	4.92	-47.31
CC(CN(C)C(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=N[N-]N=N1	REAL300019760772	0	39	-1.0	-50.40	330.08	4.17	-46.23
CC(CN(C)C(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=NN=N[N-]1	REAL300019760772	1	39	-1.0	-50.36	330.14	4.18	-46.18
CC1=CC=C(C2(C(=O)N(C)CC(C)C3=N[N-]N=N3)CC2)C(F)=C1	REAL300019760773	0	42	-1.0	-48.51	341.09	6.68	-41.83
CC1=CC=C(C2(C(=O)N(C)CC(C)C3=NN=N[N-]3)CC2)C(F)=C1	REAL300019760773	1	42	-1.0	-48.44	341.15	6.69	-41.75
CC(CN(C)C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL300019760774	0	32	-2.0	-91.64	294.57	3.24	-88.40
CC(CN(C)C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL300019760774	1	32	-2.0	-91.64	294.63	3.25	-88.39
CCCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=NN1CC	REAL300019760775	0	43	-1.0	-43.02	345.32	3.89	-39.13
CCCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=NN1CC	REAL300019760775	1	43	-1.0	-43.04	345.38	3.91	-39.13
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300019760776	0	40	-1.0	-48.63	342.62	3.28	-45.35
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300019760776	1	40	-1.0	-48.66	342.68	3.30	-45.36
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760777	0	49	-1.0	-51.45	406.81	0.32	-51.13
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760777	1	49	-1.0	-51.45	406.87	0.34	-51.11
CC(CN(C)C(=O)C1=CC=CC=C1NC(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760778	0	50	-1.0	-49.31	409.87	6.81	-42.50
CC(CN(C)C(=O)C1=CC=CC=C1NC(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760778	1	50	-1.0	-49.34	409.93	6.83	-42.51
CC(CN(C)C(=O)C1=CC=CC=C1NC(=O)N1CCCCC1)C1=N[N-]N=N1	REAL300019760779	0	51	-1.0	-43.54	391.11	6.17	-37.37
CC(CN(C)C(=O)C1=CC=CC=C1NC(=O)N1CCCCC1)C1=NN=N[N-]1	REAL300019760779	1	51	-1.0	-43.59	391.17	6.18	-37.41
CC(CN(C)C(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019760780	0	41	-1.0	-45.84	355.65	5.36	-40.48
CC(CN(C)C(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300019760780	1	41	-1.0	-45.79	355.59	5.35	-40.44
CC(CN(C)C(=O)C1=C2NC=NC2=CC(Br)=C1)C1=N[N-]N=N1	REAL300019760781	0	35	-1.0	-42.57	311.29	4.34	-38.23
CC(CN(C)C(=O)C1=C2NC=NC2=CC(Br)=C1)C1=NN=N[N-]1	REAL300019760781	1	35	-1.0	-42.57	311.34	4.36	-38.21
CC(CN(C)C(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=N[N-]N=N1	REAL300019760782	0	42	-1.0	-55.48	340.08	5.08	-50.40
CC(CN(C)C(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=NN=N[N-]1	REAL300019760782	1	42	-1.0	-55.51	340.13	5.10	-50.41
CC(CN(C)C(=O)CNC(=O)N(C)CC1=CC=CO1)C1=N[N-]N=N1	REAL300019760783	0	44	-1.0	-49.18	363.71	2.79	-46.39
CC(CN(C)C(=O)CNC(=O)N(C)CC1=CC=CO1)C1=NN=N[N-]1	REAL300019760783	1	44	-1.0	-49.16	363.77	2.81	-46.35
CC(CN(C)C(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019760784	0	45	-1.0	-55.64	373.73	6.66	-48.98
CC(CN(C)C(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019760784	1	45	-1.0	-55.63	373.78	6.67	-48.96
CC(CN(C)C(=O)C1=NNC2=C1CCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019760785	0	53	-1.0	-41.28	408.07	4.36	-36.92
CC(CN(C)C(=O)C1=NNC2=C1CCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019760785	1	53	-1.0	-41.28	408.13	4.38	-36.90
CC1=NNC2=C1CC(C(=O)N(C)CC(C)C1=N[N-]N=N1)CC2	REAL300019760786	0	42	-1.0	-46.99	325.48	3.44	-43.55
CC1=NNC2=C1CC(C(=O)N(C)CC(C)C1=NN=N[N-]1)CC2	REAL300019760786	1	42	-1.0	-47.00	325.54	3.45	-43.55
CC1=C2CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)CCC2=NN1	REAL300019760786	1	42	-1.0	-44.89	329.89	3.53	-41.36
CC(CN(C)C(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760787	0	50	-1.0	-46.89	411.21	7.18	-39.71
CC(CN(C)C(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760787	1	50	-1.0	-46.95	411.15	7.16	-39.79
CC(CN(C)C(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300019760788	0	43	-1.0	-51.89	350.26	4.30	-47.59
CC(CN(C)C(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300019760788	1	43	-1.0	-51.88	350.32	4.32	-47.56
CSC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019760789	0	38	-1.0	-46.24	327.66	5.59	-40.65
CSC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019760789	1	38	-1.0	-46.27	327.72	5.61	-40.66
CC(CN(C)C(=O)C(C)(C)OC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019760790	0	42	-1.0	-55.57	332.23	5.66	-49.91
CC(CN(C)C(=O)C(C)(C)OC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019760790	1	42	-1.0	-55.55	332.29	5.68	-49.87
CC(CN(C)C(=O)C1=CC(S(N)(=O)=O)=CO1)C1=N[N-]N=N1	REAL300019760791	0	34	-1.0	-49.16	303.60	-2.60	-51.76
CC(CN(C)C(=O)C1=CC(S(N)(=O)=O)=CO1)C1=NN=N[N-]1	REAL300019760791	1	34	-1.0	-49.17	303.66	-2.58	-51.75
CC(CN(C)C(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=NN=N[N-]1	REAL300019760792	0	36	-1.0	-49.02	313.51	4.23	-44.79
CC(CN(C)C(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=N[N-]N=N1	REAL300019760792	1	36	-1.0	-49.01	313.45	4.21	-44.80
CC(CN(C)C(=O)C1=CC(Cl)=NN1C1=NC=CC=C1Cl)C1=NN=N[N-]1	REAL300019760793	0	38	-1.0	-44.53	341.17	6.45	-38.08
CC(CN(C)C(=O)C1=CC(Cl)=NN1C1=NC=CC=C1Cl)C1=N[N-]N=N1	REAL300019760793	1	38	-1.0	-44.54	341.11	6.43	-38.11
CC(CN(C)C(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=N[N-]N=N1	REAL300019760794	0	42	-1.0	-45.66	346.32	5.22	-40.44
CC(CN(C)C(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=NN=N[N-]1	REAL300019760794	1	42	-1.0	-45.68	346.38	5.24	-40.44
CC(CN(C)C(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760795	0	46	-1.0	-57.71	364.71	3.09	-54.62
CC(CN(C)C(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760795	1	46	-1.0	-57.75	364.77	3.10	-54.65
CC(CN(C)C(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL300019760796	0	36	-1.0	-41.64	315.49	3.25	-38.39
CC(CN(C)C(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL300019760796	1	36	-1.0	-41.61	315.54	3.27	-38.34
CC(CN(C)C(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=N[N-]N=N1	REAL300019760797	0	43	-1.0	-45.03	338.29	2.55	-42.48
CC(CN(C)C(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=NN=N[N-]1	REAL300019760797	1	43	-1.0	-45.03	338.35	2.57	-42.46
CC(CN(C)C(=O)C1=NNC2=C1C[C@@H](C)O[C@H]2C)C1=N[N-]N=N1	REAL300019760797	1	43	-1.0	-44.73	341.00	2.63	-42.10
CC(CN(C)C(=O)C1=NNC2=C1C[C@@H](C)O[C@H]2C)C1=NN=N[N-]1	REAL300019760797	1	43	-1.0	-44.76	341.06	2.65	-42.11
CC(CN(C)C(=O)CCC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300019760798	0	35	-1.0	-45.79	321.51	5.55	-40.24
CC(CN(C)C(=O)CCC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300019760798	1	35	-1.0	-45.78	321.56	5.57	-40.21
CC(CN(C)C(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=N[N-]N=N1	REAL300019760799	0	38	-1.0	-54.43	333.76	5.24	-49.19
CC(CN(C)C(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=NN=N[N-]1	REAL300019760799	1	38	-1.0	-54.41	333.82	5.26	-49.15
CC(CN(C)C(=O)CC1=C(Br)C=C2NC=NC2=C1)C1=N[N-]N=N1	REAL300019760799	1	38	-1.0	-52.80	333.62	5.23	-47.57
CC(CN(C)C(=O)CC1=C(Br)C=C2NC=NC2=C1)C1=NN=N[N-]1	REAL300019760799	1	38	-1.0	-52.74	333.68	5.25	-47.49
CC(CN(C)C(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760800	0	53	-1.0	-37.79	392.31	6.70	-31.09
CC(CN(C)C(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760800	1	53	-1.0	-37.81	392.36	6.71	-31.10
CC(C)OC1=CC=C(Cl)N=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760801	0	41	-1.0	-46.16	345.51	5.81	-40.35
CC(C)OC1=CC=C(Cl)N=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760801	1	41	-1.0	-46.19	345.45	5.79	-40.40
C=CCOC1=CC=C(Cl)N=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760802	0	39	-1.0	-46.43	338.50	5.71	-40.72
C=CCOC1=CC=C(Cl)N=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760802	1	39	-1.0	-46.41	338.44	5.69	-40.72
CC(CN(C)C(=O)C1CCCC(F)(F)CC1)C1=N[N-]N=N1	REAL300019760803	0	41	-1.0	-47.53	312.39	5.01	-42.52
CC(CN(C)C(=O)C1CCCC(F)(F)CC1)C1=NN=N[N-]1	REAL300019760803	1	41	-1.0	-47.53	312.45	5.03	-42.50
CC(CN(C)C(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300019760804	0	40	-1.0	-57.05	335.57	5.72	-51.33
CC(CN(C)C(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300019760804	1	40	-1.0	-57.06	335.63	5.73	-51.33
CC(CN(C)C(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300019760805	0	39	-1.0	-46.16	324.30	6.26	-39.90
CC(CN(C)C(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300019760805	1	39	-1.0	-46.15	324.36	6.28	-39.87
CC(CN(C)C(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760806	0	51	-1.0	-58.36	410.10	6.52	-51.84
CC(CN(C)C(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760806	1	51	-1.0	-58.38	410.15	6.53	-51.85
CC(CN(C)C(=O)C1=C2C=NSC2=CC=C1)C1=NN=N[N-]1	REAL300019760807	0	34	-1.0	-51.38	291.32	4.10	-47.28
CC(CN(C)C(=O)C1=C2C=NSC2=CC=C1)C1=N[N-]N=N1	REAL300019760807	1	34	-1.0	-51.33	291.26	4.08	-47.25
CC(CN(C)C(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=N[N-]N=N1	REAL300019760808	0	38	-1.0	-54.45	340.09	2.12	-52.33
CC(CN(C)C(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=NN=N[N-]1	REAL300019760808	1	38	-1.0	-54.46	340.14	2.14	-52.32
CC(CN(C)C(=O)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019760809	0	38	-1.0	-44.15	338.58	6.05	-38.10
CC(CN(C)C(=O)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019760809	1	38	-1.0	-44.14	338.64	6.06	-38.08
CC(CN(C)C(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL300019760810	0	34	-1.0	-40.70	309.82	2.87	-37.83
CC(CN(C)C(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL300019760810	1	34	-1.0	-40.70	309.88	2.89	-37.81
CC(CN(C)C(=O)[C@H]1C[C@@H]2O[C@H](C)C[C@@H]2N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760811	0	57	-1.0	-51.31	428.67	4.78	-46.53
CC(CN(C)C(=O)[C@H]1C[C@@H]2O[C@H](C)C[C@@H]2N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760811	1	57	-1.0	-51.33	428.73	4.80	-46.53
CC(CN(C)C(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019760812	0	48	-1.0	-45.29	391.02	2.59	-42.70
CC(CN(C)C(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019760812	1	48	-1.0	-45.28	391.08	2.61	-42.67
CC(CN(C)C(=O)C1=NC(C2CC2)=NC=C1Cl)C1=N[N-]N=N1	REAL300019760813	0	37	-1.0	-40.50	320.25	5.23	-35.27
CC(CN(C)C(=O)C1=NC(C2CC2)=NC=C1Cl)C1=NN=N[N-]1	REAL300019760813	1	37	-1.0	-40.55	320.31	5.25	-35.30
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CC1(F)F)C1=N[N-]N=N1	REAL300019760814	0	39	-1.0	-52.08	326.17	6.08	-46.00
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CC1(F)F)C1=NN=N[N-]1	REAL300019760814	1	39	-1.0	-52.03	326.22	6.10	-45.93
CC(CN(C)C(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019760815	0	54	-1.0	-54.11	419.50	1.86	-52.25
CC(CN(C)C(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019760815	1	54	-1.0	-54.14	419.56	1.87	-52.27
CC(CN(C)C(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1)C1=N[N-]N=N1	REAL300019760816	0	46	-1.0	-49.52	361.46	6.71	-42.81
CC(CN(C)C(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1)C1=NN=N[N-]1	REAL300019760816	1	46	-1.0	-49.53	361.52	6.72	-42.81
COC1(CC(=O)N(C)CC(C)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019760817	0	53	-1.0	-55.36	415.04	3.41	-51.95
COC1(CC(=O)N(C)CC(C)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019760817	1	53	-1.0	-55.42	415.10	3.43	-51.99
CC(CN(C)C(=O)C1(CC2=NNN=C2)CCCC1)C1=N[N-]N=N1	REAL300019760818	0	44	-1.0	-51.15	326.78	3.12	-48.03
CC(CN(C)C(=O)C1(CC2=NNN=C2)CCCC1)C1=NN=N[N-]1	REAL300019760818	1	44	-1.0	-51.15	326.83	3.14	-48.01
CC(CN(C)C(=O)C1=CN(C(C)(C)C)N=C1C(C)(C)C)C1=NN=N[N-]1	REAL300019760819	0	53	-1.0	-44.04	400.37	6.15	-37.89
CC(CN(C)C(=O)C1=CN(C(C)(C)C)N=C1C(C)(C)C)C1=N[N-]N=N1	REAL300019760819	1	53	-1.0	-44.05	400.32	6.13	-37.92
C#CC1=CC=C(C2CC2C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760820	0	41	-1.0	-47.57	336.55	7.54	-40.03
C#CC1=CC=C(C2CC2C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760820	1	41	-1.0	-47.58	336.61	7.55	-40.03
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C2=CC=CC=C2C=N1	REAL300019760821	0	40	-1.0	-49.17	329.93	5.17	-44.00
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C2=CC=CC=C2C=N1	REAL300019760821	1	40	-1.0	-49.17	329.99	5.18	-43.99
CC(CN(C)C(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300019760822	0	44	-1.0	-47.34	359.15	5.25	-42.09
CC(CN(C)C(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300019760822	1	44	-1.0	-47.31	359.21	5.27	-42.04
CC(CN(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CC[C@@H](C2)C1)C1=N[N-]N=N1	REAL300019760823	0	59	-1.0	-52.19	408.53	7.14	-45.05
CC(CN(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CC[C@@H](C2)C1)C1=NN=N[N-]1	REAL300019760823	1	59	-1.0	-52.15	408.59	7.15	-45.00
CC(CN(C)C(=O)C12CCC(C(F)(F)F)(CC1)C2)C1=N[N-]N=N1	REAL300019760824	0	42	-1.0	-44.88	328.87	5.44	-39.44
CC(CN(C)C(=O)C12CCC(C(F)(F)F)(CC1)C2)C1=NN=N[N-]1	REAL300019760824	1	42	-1.0	-44.89	328.93	5.46	-39.43
CC(CN(C)C(=O)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760825	0	52	-1.0	-57.21	399.03	3.58	-53.63
CC(CN(C)C(=O)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760825	1	52	-1.0	-57.22	399.09	3.60	-53.62
COC1=CC=C(C=CC(=O)N(C)CC(C)C2=N[N-]N=N2)C(OC)=C1OC	REAL300019760826	0	48	-1.0	-53.46	393.40	4.90	-48.56
COC1=CC=C(C=CC(=O)N(C)CC(C)C2=NN=N[N-]2)C(OC)=C1OC	REAL300019760826	1	48	-1.0	-53.44	393.46	4.92	-48.52
CC(CN(C)C(=O)C1COC=CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760827	0	48	-1.0	-53.28	373.33	4.21	-49.07
CC(CN(C)C(=O)C1COC=CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760827	1	48	-1.0	-53.31	373.38	4.23	-49.08
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CC(C)(C)C1)C1=N[N-]N=N1	REAL300019760828	0	58	-1.0	-44.57	428.70	4.66	-39.91
CC(CN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CC(C)(C)C1)C1=NN=N[N-]1	REAL300019760828	1	58	-1.0	-44.58	428.76	4.68	-39.90
CC(CN(C)C(=O)C1(C2CC2)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760829	0	56	-1.0	-55.26	412.57	6.31	-48.95
CC(CN(C)C(=O)C1(C2CC2)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760829	1	56	-1.0	-55.26	412.63	6.32	-48.94
CC(CN(C)C(=O)C1=C2C(=O)NCCN2N=C1)C1=NN=N[N-]1	REAL300019760830	0	37	-1.0	-60.40	302.29	0.71	-59.69
CC(CN(C)C(=O)C1=C2C(=O)NCCN2N=C1)C1=N[N-]N=N1	REAL300019760830	1	37	-1.0	-60.37	302.23	0.70	-59.67
CC=CC1=CC=C(OCC(=O)N(C)CC(C)C2=N[N-]N=N2)C(OC)=C1	REAL300019760831	0	47	-1.0	-55.55	381.31	6.76	-48.79
CC=CC1=CC=C(OCC(=O)N(C)CC(C)C2=NN=N[N-]2)C(OC)=C1	REAL300019760831	1	47	-1.0	-55.55	381.36	6.77	-48.78
CC(CN(C)C(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019760832	0	56	-1.0	-50.45	429.96	3.77	-46.68
CC(CN(C)C(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019760832	1	56	-1.0	-50.45	430.01	3.79	-46.66
CC(CN(C)C(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760833	0	56	-1.0	-54.88	409.89	5.61	-49.27
CC(CN(C)C(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760833	1	56	-1.0	-54.84	409.95	5.62	-49.22
CC(CN(C)C(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=N[N-]N=N1	REAL300019760834	0	39	-1.0	-46.19	327.97	2.71	-43.48
CC(CN(C)C(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=NN=N[N-]1	REAL300019760834	1	39	-1.0	-46.17	328.03	2.72	-43.45
CC(CN(C)C(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019760835	0	49	-1.0	-53.02	366.44	6.64	-46.38
CC(CN(C)C(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019760835	1	49	-1.0	-53.06	366.50	6.65	-46.41
CC1=NN=C(CC2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2)O1	REAL300019760836	0	43	-1.0	-49.89	357.70	1.40	-48.49
CC1=NN=C(CC2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2)O1	REAL300019760836	1	43	-1.0	-49.90	357.76	1.42	-48.48
CC(CN(C)C(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019760837	0	59	-1.0	-49.72	439.21	6.98	-42.74
CC(CN(C)C(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019760837	1	59	-1.0	-49.69	439.27	7.00	-42.69
CC(CN(C)C(=O)C1=CC2=C(Br)C=CC=C2C=C1)C1=N[N-]N=N1	REAL300019760838	0	38	-1.0	-51.56	328.48	6.86	-44.70
CC(CN(C)C(=O)C1=CC2=C(Br)C=CC=C2C=C1)C1=NN=N[N-]1	REAL300019760838	1	38	-1.0	-51.57	328.54	6.87	-44.70
CC(CN(C)C(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019760839	0	44	-1.0	-47.93	367.12	8.02	-39.91
CC(CN(C)C(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019760839	1	44	-1.0	-47.92	367.18	8.03	-39.89
CC1=CC2=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL300019760840	0	40	-1.0	-44.08	330.50	5.08	-39.00
CC1=CC2=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL300019760840	1	40	-1.0	-44.06	330.44	5.07	-38.99
CC(CN(C)C(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019760841	0	45	-1.0	-45.00	366.76	5.82	-39.18
CC(CN(C)C(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019760841	1	45	-1.0	-45.00	366.82	5.84	-39.16
CC(CN(C)C(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL300019760842	0	38	-1.0	-45.62	326.62	1.49	-44.13
CC(CN(C)C(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL300019760842	1	38	-1.0	-45.60	326.57	1.47	-44.13
COC1=C2C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)NC2=C(C)C=C1	REAL300019760843	0	43	-1.0	-46.11	345.55	4.57	-41.54
COC1=C2C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)NC2=C(C)C=C1	REAL300019760843	1	43	-1.0	-46.12	345.61	4.59	-41.53
CCCCOC1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019760844	0	48	-1.0	-48.99	384.73	6.91	-42.08
CCCCOC1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019760844	1	48	-1.0	-49.04	384.79	6.93	-42.11
CC(CN(C)C(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019760845	0	49	-1.0	-54.28	400.23	3.39	-50.89
CC(CN(C)C(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019760845	1	49	-1.0	-54.29	400.29	3.41	-50.88
COC1=NC2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2C=C1	REAL300019760846	0	41	-1.0	-49.58	337.33	2.96	-46.62
COC1=NC2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2C=C1	REAL300019760846	1	41	-1.0	-49.52	337.27	2.94	-46.58
CC1=CN2C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CN=C2S1	REAL300019760847	0	35	-1.0	-45.67	300.71	4.39	-41.28
CC1=CN2C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CN=C2S1	REAL300019760847	1	35	-1.0	-45.66	300.65	4.37	-41.29
CC(CN(C)C(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019760848	0	42	-1.0	-45.97	360.81	5.47	-40.50
CC(CN(C)C(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300019760848	1	42	-1.0	-45.97	360.86	5.49	-40.48
CC(CN(C)C(=O)C1=CC(Cl)=C(Cl)S1)C1=N[N-]N=N1	REAL300019760849	0	29	-1.0	-43.78	286.48	4.06	-39.72
CC(CN(C)C(=O)C1=CC(Cl)=C(Cl)S1)C1=NN=N[N-]1	REAL300019760849	1	29	-1.0	-43.79	286.53	4.07	-39.72
CC(CN(C)C(=O)C1=CC(C(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL300019760850	0	43	-1.0	-43.49	336.60	5.67	-37.82
CC(CN(C)C(=O)C1=CC(C(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300019760850	1	43	-1.0	-43.49	336.54	5.65	-37.84
COC1CC2(C1)CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)CC2	REAL300019760851	0	49	-1.0	-47.63	363.97	5.00	-42.63
COC1CC2(C1)CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)CC2	REAL300019760851	1	49	-1.0	-47.64	364.03	5.02	-42.62
CCCC(CCC1=CC=CC=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760852	0	50	-1.0	-48.70	389.77	8.44	-40.26
CCCC(CCC1=CC=CC=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760852	1	50	-1.0	-48.69	389.82	8.46	-40.23
CCC(C)(C)C1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019760853	0	53	-1.0	-46.75	364.49	6.81	-39.94
CCC(C)(C)C1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019760853	1	53	-1.0	-46.79	364.55	6.83	-39.96
CC1=CC2=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CN=C2C=C1	REAL300019760854	0	40	-1.0	-43.61	325.59	4.99	-38.62
CC1=CC2=CC(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CN=C2C=C1	REAL300019760854	1	40	-1.0	-43.63	325.53	4.97	-38.66
CC(CN(C)C(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=N[N-]N=N1	REAL300019760855	0	37	-1.0	-48.34	319.75	2.32	-46.02
CC(CN(C)C(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=NN=N[N-]1	REAL300019760855	1	37	-1.0	-48.33	319.81	2.34	-45.99
CC(CN(C)C(=O)C1CCC2(CC(=O)C2)CC1)C1=N[N-]N=N1	REAL300019760856	0	44	-1.0	-50.28	334.02	5.16	-45.12
CC(CN(C)C(=O)C1CCC2(CC(=O)C2)CC1)C1=NN=N[N-]1	REAL300019760856	1	44	-1.0	-50.27	334.07	5.17	-45.10
CC(CN(C)C(=O)C1=CC=C2OCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300019760857	0	39	-1.0	-55.03	319.90	3.80	-51.23
CC(CN(C)C(=O)C1=CC=C2OCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300019760857	1	39	-1.0	-55.04	319.96	3.81	-51.23
CCC(CCC1=CC=CC=C1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760858	0	47	-1.0	-48.52	368.27	7.67	-40.85
CCC(CCC1=CC=CC=C1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760858	1	47	-1.0	-48.51	368.33	7.69	-40.82
COC1(C(F)(F)C(=O)N(C)CC(C)C2=N[N-]N=N2)CCCC1	REAL300019760859	0	42	-1.0	-39.69	322.38	4.57	-35.12
COC1(C(F)(F)C(=O)N(C)CC(C)C2=NN=N[N-]2)CCCC1	REAL300019760859	1	42	-1.0	-39.70	322.44	4.58	-35.12
CC(CN(C)C(=O)CCC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300019760860	0	46	-1.0	-47.18	365.54	6.01	-41.17
CC(CN(C)C(=O)CCC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300019760860	1	46	-1.0	-47.20	365.59	6.02	-41.18
CC(CN(C)C(=O)C1CC12CCC(F)(F)CC2)C1=N[N-]N=N1	REAL300019760861	0	42	-1.0	-44.53	331.45	6.01	-38.52
CC(CN(C)C(=O)C1CC12CCC(F)(F)CC2)C1=NN=N[N-]1	REAL300019760861	1	42	-1.0	-44.56	331.51	6.02	-38.54
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N=C1Br	REAL300019760862	0	34	-1.0	-44.24	300.12	4.41	-39.83
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N=C1Br	REAL300019760862	1	34	-1.0	-44.24	300.07	4.39	-39.85
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=N[N-]N=N1	REAL300019760863	0	42	-1.0	-46.48	344.33	5.32	-41.16
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=NN=N[N-]1	REAL300019760863	1	42	-1.0	-46.51	344.38	5.33	-41.18
CC(CN(C)C(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=NN=N[N-]1	REAL300019760864	0	36	-1.0	-45.88	314.93	3.94	-41.94
CC(CN(C)C(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=N[N-]N=N1	REAL300019760864	1	36	-1.0	-45.86	314.88	3.92	-41.94
COC(=O)C1=CSC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760865	0	35	-1.0	-48.80	308.33	3.64	-45.16
COC(=O)C1=CSC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760865	1	35	-1.0	-48.87	308.39	3.66	-45.21
CC(CN(C)C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019760866	0	43	-1.0	-42.16	335.37	4.46	-37.70
CC(CN(C)C(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019760866	1	43	-1.0	-42.16	335.32	4.45	-37.71
CC(CN(C)C(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300019760867	0	40	-1.0	-42.55	350.11	6.12	-36.43
CC(CN(C)C(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300019760867	1	40	-1.0	-42.54	350.17	6.13	-36.41
CC(CN(C)C(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1)C1=NN=N[N-]1	REAL300019760868	0	39	-1.0	-50.80	338.42	2.63	-48.17
CC(CN(C)C(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1)C1=N[N-]N=N1	REAL300019760868	1	39	-1.0	-50.84	338.37	2.61	-48.23
CC(CN(C)C(=O)C1C(C2CC2)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760869	0	56	-1.0	-50.85	422.66	6.38	-44.47
CC(CN(C)C(=O)C1C(C2CC2)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760869	1	56	-1.0	-50.85	422.72	6.40	-44.45
CC(CN(C)C(=O)C1(C)CC2=CC(Cl)=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL300019760870	0	42	-1.0	-44.76	348.36	6.06	-38.70
CC(CN(C)C(=O)C1(C)CC2=CC(Cl)=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL300019760870	1	42	-1.0	-44.78	348.42	6.08	-38.70
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760871	0	52	-1.0	-46.91	402.54	3.55	-43.36
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760871	1	52	-1.0	-46.92	402.60	3.57	-43.35
CC(CN(C)C(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=NN=N[N-]1	REAL300019760872	0	46	-1.0	-52.49	361.65	5.47	-47.02
CC(CN(C)C(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=N[N-]N=N1	REAL300019760872	1	46	-1.0	-52.47	361.59	5.45	-47.02
CC(CN(C)C(=O)C12CCCN1C(=O)CCCC2)C1=N[N-]N=N1	REAL300019760873	0	46	-1.0	-57.90	337.01	4.10	-53.80
CC(CN(C)C(=O)C12CCCN1C(=O)CCCC2)C1=NN=N[N-]1	REAL300019760873	1	46	-1.0	-57.96	337.07	4.11	-53.85
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019760874	0	42	-1.0	-44.13	344.91	6.68	-37.45
CC(CN(C)C(=O)C1(C2=CC=CC=C2)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019760874	1	42	-1.0	-44.13	344.97	6.69	-37.44
CC(CN(C)C(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=N[N-]N=N1	REAL300019760875	0	43	-1.0	-49.93	341.14	6.15	-43.78
CC(CN(C)C(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=NN=N[N-]1	REAL300019760875	1	43	-1.0	-49.93	341.20	6.16	-43.77
CC(CN(C)C(=O)CCC1=CC=CC(Br)=C1F)C1=N[N-]N=N1	REAL300019760876	0	38	-1.0	-48.43	337.88	6.55	-41.88
CC(CN(C)C(=O)CCC1=CC=CC(Br)=C1F)C1=NN=N[N-]1	REAL300019760876	1	38	-1.0	-48.41	337.94	6.57	-41.84
CC(CN(C)C(=O)C(CC1=CSC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760877	0	52	-1.0	-44.67	408.40	4.06	-40.61
CC(CN(C)C(=O)C(CC1=CSC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760877	1	52	-1.0	-44.70	408.45	4.07	-40.63
CC(CN(C)C(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C1=N[N-]N=N1	REAL300019760878	0	50	-1.0	-45.33	338.60	6.54	-38.79
CC(CN(C)C(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C1=NN=N[N-]1	REAL300019760878	1	50	-1.0	-45.33	338.66	6.56	-38.77
CC(CN(C)C(=O)[C@]12C[C@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019760879	0	50	-1.0	-45.05	391.94	3.74	-41.31
CC(CN(C)C(=O)[C@]12C[C@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019760879	1	50	-1.0	-45.02	391.99	3.75	-41.27
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300019760880	0	38	-1.0	-51.41	325.44	3.27	-48.14
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300019760880	1	38	-1.0	-51.42	325.49	3.28	-48.14
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760881	0	43	-1.0	-60.71	334.64	3.75	-56.96
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760881	1	43	-1.0	-60.71	334.70	3.76	-56.95
CCC1=CC=C(C(=O)C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL300019760882	0	37	-1.0	-38.99	318.58	4.98	-34.01
CCC1=CC=C(C(=O)C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL300019760882	1	37	-1.0	-39.04	318.64	4.99	-34.05
COC1=CC(Br)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1F	REAL300019760883	0	36	-1.0	-42.66	317.07	3.96	-38.70
COC1=CC(Br)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1F	REAL300019760883	1	36	-1.0	-42.67	317.13	3.98	-38.69
CC(CN(C)C(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=N[N-]N=N1	REAL300019760884	0	50	-1.0	-44.44	388.22	3.66	-40.78
CC(CN(C)C(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=NN=N[N-]1	REAL300019760884	1	50	-1.0	-44.47	388.27	3.68	-40.79
CC(CN(C)C(=O)C1N(C(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL300019760885	0	53	-1.0	-53.11	408.08	5.51	-47.60
CC(CN(C)C(=O)C1N(C(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL300019760885	1	53	-1.0	-53.09	408.14	5.53	-47.56
CC(CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)C12COC2)C1=N[N-]N=N1	REAL300019760886	0	54	-1.0	-50.91	405.22	3.99	-46.92
CC(CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)C12COC2)C1=NN=N[N-]1	REAL300019760886	1	54	-1.0	-51.00	405.28	4.00	-47.00
CC(CN(C)C(=O)C1=CC(C2CCCC2)=NN1)C1=N[N-]N=N1	REAL300019760887	0	42	-1.0	-41.43	327.02	4.11	-37.32
CC(CN(C)C(=O)C1=CC(C2CCCC2)=NN1)C1=NN=N[N-]1	REAL300019760887	1	42	-1.0	-41.45	327.08	4.12	-37.33
CC(CN(C)C(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300019760888	0	44	-1.0	-47.12	354.28	2.61	-44.51
CC(CN(C)C(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300019760888	1	44	-1.0	-47.12	354.34	2.63	-44.49
CC(CN(C)C(=O)C1=CC=CC2=C1CCC(=O)N2)C1=N[N-]N=N1	REAL300019760889	0	40	-1.0	-46.18	318.02	3.12	-43.06
CC(CN(C)C(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NN=N[N-]1	REAL300019760889	1	40	-1.0	-46.21	318.08	3.14	-43.07
CC(CN(C)C(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300019760890	0	40	-1.0	-45.75	340.40	3.14	-42.61
CC(CN(C)C(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300019760890	1	40	-1.0	-45.80	340.46	3.16	-42.64
COC(=O)C1=CC=CC2=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=CC=C12	REAL300019760891	0	44	-1.0	-47.63	359.18	6.80	-40.83
COC(=O)C1=CC=CC2=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=CC=C12	REAL300019760891	1	44	-1.0	-47.67	359.24	6.82	-40.85
CC(CN(C)C(=O)C1=CN=CC2=C1CCNC2=O)C1=N[N-]N=N1	REAL300019760892	0	39	-1.0	-42.23	316.23	0.63	-41.60
CC(CN(C)C(=O)C1=CN=CC2=C1CCNC2=O)C1=NN=N[N-]1	REAL300019760892	1	39	-1.0	-42.21	316.29	0.64	-41.57
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NC=C1C(F)F	REAL300019760893	0	37	-1.0	-47.23	310.38	4.75	-42.48
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NC=C1C(F)F	REAL300019760893	1	37	-1.0	-47.22	310.44	4.77	-42.45
CC(CN(C)C(=O)C1=CC2=C(CCCNC2=O)S1)C1=N[N-]N=N1	REAL300019760894	0	40	-1.0	-56.17	330.68	2.21	-53.96
CC(CN(C)C(=O)C1=CC2=C(CCCNC2=O)S1)C1=NN=N[N-]1	REAL300019760894	1	40	-1.0	-56.17	330.74	2.22	-53.95
CC(CN(C)C(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019760895	0	41	-1.0	-52.32	326.65	1.67	-50.65
CC(CN(C)C(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019760895	1	41	-1.0	-52.33	326.60	1.66	-50.67
CC(CN(C)C(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=NN=N[N-]1	REAL300019760896	0	36	-1.0	-46.73	317.86	4.25	-42.48
CC(CN(C)C(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=N[N-]N=N1	REAL300019760896	1	36	-1.0	-46.73	317.81	4.23	-42.50
CCOCC(NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760897	0	52	-1.0	-47.68	404.38	1.90	-45.78
CCOCC(NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760897	1	52	-1.0	-47.70	404.43	1.91	-45.79
CC(CN(C)C(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019760898	0	59	-1.0	-51.64	440.82	6.98	-44.66
CC(CN(C)C(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019760898	1	59	-1.0	-51.64	440.88	7.00	-44.64
CC(CN(C)C(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760899	0	55	-1.0	-53.02	414.12	5.64	-47.38
CC(CN(C)C(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760899	1	55	-1.0	-53.04	414.18	5.66	-47.38
CC(CN(C)C(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760900	0	59	-1.0	-53.30	443.96	7.39	-45.91
CC(CN(C)C(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760900	1	59	-1.0	-53.27	444.02	7.40	-45.87
CC(CN(C)C(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760901	0	52	-1.0	-44.40	393.75	3.30	-41.10
CC(CN(C)C(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760901	1	52	-1.0	-44.40	393.81	3.32	-41.08
CC(CN(C)C(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019760902	0	53	-1.0	-47.28	411.84	4.56	-42.72
CC(CN(C)C(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019760902	1	53	-1.0	-47.33	411.90	4.58	-42.75
COC1=CC=CC=C1OC(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760903	0	43	-1.0	-55.74	342.96	5.16	-50.58
COC1=CC=CC=C1OC(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760903	1	43	-1.0	-55.74	343.02	5.18	-50.56
CC(CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)C12CCC2)C1=N[N-]N=N1	REAL300019760904	0	56	-1.0	-50.61	408.92	5.32	-45.29
CC(CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)C12CCC2)C1=NN=N[N-]1	REAL300019760904	1	56	-1.0	-50.67	408.97	5.34	-45.33
CC(CN(C)C(=O)[C@@H](C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760905	0	46	-1.0	-57.72	364.72	3.09	-54.63
CC(CN(C)C(=O)[C@@H](C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760905	1	46	-1.0	-57.74	364.77	3.11	-54.63
CC(CN(C)C(=O)C1=C(F)C=C(Br)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019760906	0	34	-1.0	-47.18	321.89	5.83	-41.35
CC(CN(C)C(=O)C1=C(F)C=C(Br)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019760906	1	34	-1.0	-47.16	321.95	5.84	-41.32
CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300019760907	0	46	-1.0	-56.83	365.71	2.51	-54.32
CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300019760907	1	46	-1.0	-56.84	365.77	2.52	-54.32
CCC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL300019760908	0	41	-1.0	-46.98	352.71	6.00	-40.98
CCC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300019760908	1	41	-1.0	-47.01	352.77	6.02	-40.99
CC(CN(C)C(=O)C1CCC(C2CCCO2)O1)C1=N[N-]N=N1	REAL300019760909	0	44	-1.0	-46.58	340.52	3.54	-43.04
CC(CN(C)C(=O)C1CCC(C2CCCO2)O1)C1=NN=N[N-]1	REAL300019760909	1	44	-1.0	-46.59	340.58	3.56	-43.03
CC(CN(C)C(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019760910	0	53	-1.0	-57.12	398.63	5.61	-51.51
CC(CN(C)C(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019760910	1	53	-1.0	-57.16	398.69	5.62	-51.54
CC(CN(C)C(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=N[N-]N=N1	REAL300019760911	0	35	-1.0	-45.62	317.41	5.41	-40.21
CC(CN(C)C(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NN=N[N-]1	REAL300019760911	1	35	-1.0	-45.60	317.47	5.43	-40.17
CC1=CC(F)=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019760912	0	37	-1.0	-43.76	316.26	5.45	-38.31
CC1=CC(F)=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019760912	1	37	-1.0	-43.73	316.32	5.46	-38.27
CC(CN(C)C(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300019760913	0	37	-1.0	-64.16	308.78	2.66	-61.50
CC(CN(C)C(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300019760913	1	37	-1.0	-64.11	308.73	2.64	-61.47
CC(CN(C)C(=O)C1=CN=C2OCCCC2=C1)C1=NN=N[N-]1	REAL300019760914	0	39	-1.0	-47.16	312.62	1.52	-45.64
CC(CN(C)C(=O)C1=CN=C2OCCCC2=C1)C1=N[N-]N=N1	REAL300019760914	1	39	-1.0	-47.14	312.56	1.50	-45.64
CC(CN(C)C(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=N[N-]N=N1	REAL300019760915	0	37	-1.0	-40.61	316.12	3.57	-37.04
CC(CN(C)C(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NN=N[N-]1	REAL300019760915	1	37	-1.0	-40.56	316.18	3.58	-36.98
CC(CN(C)C(=O)C(F)(F)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760916	0	41	-1.0	-41.59	340.98	6.69	-34.90
CC(CN(C)C(=O)C(F)(F)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760916	1	41	-1.0	-41.56	341.04	6.71	-34.85
CC1=CC2=C(C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)S2)S1	REAL300019760917	0	35	-1.0	-43.00	311.74	5.24	-37.76
CC1=CC2=C(C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)S2)S1	REAL300019760917	1	35	-1.0	-42.97	311.80	5.26	-37.71
CC(CN(C)C(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=N[N-]N=N1	REAL300019760918	0	43	-1.0	-51.63	362.06	0.65	-50.98
CC(CN(C)C(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=NN=N[N-]1	REAL300019760918	1	43	-1.0	-51.63	362.11	0.66	-50.97
CC(CN(C)C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=N[N-]N=N1	REAL300019760919	0	38	-1.0	-41.13	338.71	6.34	-34.79
CC(CN(C)C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=NN=N[N-]1	REAL300019760919	1	38	-1.0	-41.13	338.77	6.36	-34.77
CC(CN(C)C(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=N[N-]N=N1	REAL300019760920	0	45	-1.0	-45.58	373.94	8.03	-37.55
CC(CN(C)C(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NN=N[N-]1	REAL300019760920	1	45	-1.0	-45.58	374.00	8.05	-37.53
CON(CCC(=O)N(C)CC(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019760921	0	49	-1.0	-47.88	389.35	4.49	-43.39
CON(CCC(=O)N(C)CC(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019760921	1	49	-1.0	-47.91	389.41	4.50	-43.41
CC(CN(C)C(=O)C1=CC2=NNN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019760922	0	34	-1.0	-45.31	305.22	1.93	-43.38
CC(CN(C)C(=O)C1=CC2=NNN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019760922	1	34	-1.0	-45.33	305.28	1.94	-43.39
CC(CN(C)C(=O)C(C)(C)C1(O)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760923	0	59	-1.0	-54.65	427.27	3.18	-51.47
CC(CN(C)C(=O)C(C)(C)C1(O)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760923	1	59	-1.0	-54.63	427.33	3.20	-51.43
CC(CN(C)C(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300019760924	0	45	-1.0	-41.57	363.68	2.93	-38.64
CC(CN(C)C(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300019760924	1	45	-1.0	-41.55	363.73	2.94	-38.61
COC(=O)C1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(F)C=N1	REAL300019760925	0	37	-1.0	-43.53	319.02	2.97	-40.56
COC(=O)C1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(F)C=N1	REAL300019760925	1	37	-1.0	-43.55	318.96	2.96	-40.59
CC1=CC2=C(OCC2)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019760926	0	40	-1.0	-49.05	323.02	4.60	-44.45
CC1=CC2=C(OCC2)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019760926	1	40	-1.0	-49.06	323.08	4.62	-44.44
CC(CN(C)C(=O)C1=C2SC=CC2=CN=C1)C1=NN=N[N-]1	REAL300019760927	0	34	-1.0	-45.49	296.66	3.62	-41.87
CC(CN(C)C(=O)C1=C2SC=CC2=CN=C1)C1=N[N-]N=N1	REAL300019760927	1	34	-1.0	-45.50	296.61	3.60	-41.90
CC(C)OCC1=CC=CC=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019760928	0	48	-1.0	-49.17	381.82	6.58	-42.59
CC(C)OCC1=CC=CC=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019760928	1	48	-1.0	-49.20	381.87	6.60	-42.60
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019760929	0	39	-1.0	-43.98	345.97	7.21	-36.77
CC(CN(C)C(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019760929	1	39	-1.0	-44.02	346.03	7.23	-36.79
CC(CN(C)C(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019760930	0	48	-1.0	-48.09	359.90	7.71	-40.38
CC(CN(C)C(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019760930	1	48	-1.0	-48.08	359.95	7.73	-40.35
CC(CN(C)C(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=N[N-]N=N1	REAL300019760931	0	40	-1.0	-50.34	352.33	6.19	-44.15
CC(CN(C)C(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=NN=N[N-]1	REAL300019760931	1	40	-1.0	-50.35	352.39	6.20	-44.15
CC(CN(C)C(=O)CN1C=C(I)C=N1)C1=NN=N[N-]1	REAL300019760932	0	32	-1.0	-53.73	298.95	3.60	-50.13
CC(CN(C)C(=O)CN1C=C(I)C=N1)C1=N[N-]N=N1	REAL300019760932	1	32	-1.0	-53.73	298.89	3.58	-50.15
CC(CN(C)C(=O)C1=CN=C2C=C(Br)C=CN12)C1=NN=N[N-]1	REAL300019760933	0	35	-1.0	-42.99	307.83	4.95	-38.04
CC(CN(C)C(=O)C1=CN=C2C=C(Br)C=CN12)C1=N[N-]N=N1	REAL300019760933	1	35	-1.0	-42.98	307.77	4.93	-38.05
CC(CN(C)C(=O)C1=C(Cl)C=NN1C1CCCC1)C1=NN=N[N-]1	REAL300019760934	0	42	-1.0	-44.03	353.51	5.38	-38.65
CC(CN(C)C(=O)C1=C(Cl)C=NN1C1CCCC1)C1=N[N-]N=N1	REAL300019760934	1	42	-1.0	-44.02	353.45	5.37	-38.65
CC(CN(C)C(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=N[N-]N=N1	REAL300019760935	0	38	-1.0	-46.07	318.83	2.88	-43.19
CC(CN(C)C(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=NN=N[N-]1	REAL300019760935	1	38	-1.0	-46.07	318.88	2.89	-43.18
CC(CN(C)C(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=NN=N[N-]1	REAL300019760936	0	42	-1.0	-55.60	349.59	0.41	-55.19
CC(CN(C)C(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=N[N-]N=N1	REAL300019760936	1	42	-1.0	-55.60	349.54	0.39	-55.21
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CC2CCC(C2)C1)C1=N[N-]N=N1	REAL300019760937	0	59	-1.0	-48.47	408.90	7.13	-41.34
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CC2CCC(C2)C1)C1=NN=N[N-]1	REAL300019760937	1	59	-1.0	-48.51	408.96	7.15	-41.36
CC(CN(C)C(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=NN=N[N-]1	REAL300019760938	0	32	-1.0	-38.61	304.21	0.37	-38.24
CC(CN(C)C(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=N[N-]N=N1	REAL300019760938	1	32	-1.0	-38.62	304.15	0.35	-38.27
COC1=C(Cl)C=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C2=NC=CC=C21	REAL300019760939	0	41	-1.0	-47.73	354.73	4.72	-43.01
COC1=C(Cl)C=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C2=NC=CC=C21	REAL300019760939	1	41	-1.0	-47.78	354.68	4.71	-43.07
CC(CN(C)C(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=NN=N[N-]1	REAL300019760940	0	47	-1.0	-50.88	382.81	4.43	-46.45
CC(CN(C)C(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=N[N-]N=N1	REAL300019760940	1	47	-1.0	-50.86	382.75	4.41	-46.45
CC(CN(C)C(=O)C1(C#N)CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760941	0	53	-1.0	-44.54	403.82	4.93	-39.61
CC(CN(C)C(=O)C1(C#N)CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760941	1	53	-1.0	-44.51	403.88	4.95	-39.56
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC2=C1CCCC2	REAL300019761202	0	43	-1.0	-48.13	329.93	5.57	-42.56
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)NC2=C1CCCC2	REAL300019761202	1	43	-1.0	-48.12	329.98	5.59	-42.53
CC(CN(C)C(=O)C1=CC(CC2CCC2)=CN1)C1=N[N-]N=N1	REAL300019761203	0	43	-1.0	-49.31	340.16	6.02	-43.29
CC(CN(C)C(=O)C1=CC(CC2CCC2)=CN1)C1=NN=N[N-]1	REAL300019761203	1	43	-1.0	-49.29	340.21	6.03	-43.26
COC(=O)C1=CSC(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019761204	0	38	-1.0	-51.50	336.86	4.90	-46.60
COC(=O)C1=CSC(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019761204	1	38	-1.0	-51.48	336.92	4.92	-46.56
COC(=O)C1=CC=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1F	REAL300019761205	0	41	-1.0	-54.43	349.79	5.80	-48.63
COC(=O)C1=CC=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1F	REAL300019761205	1	41	-1.0	-54.46	349.85	5.82	-48.64
CC(CN(C)C(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=N[N-]N=N1	REAL300019761206	0	41	-1.0	-49.71	331.49	3.13	-46.58
CC(CN(C)C(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=NN=N[N-]1	REAL300019761206	1	41	-1.0	-49.71	331.55	3.15	-46.56
CC(CN(C)C(=O)C1CC(=O)N([C@@H](C)C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL300019761207	0	49	-1.0	-50.49	390.66	6.88	-43.61
CC(CN(C)C(=O)C1CC(=O)N([C@@H](C)C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL300019761207	1	49	-1.0	-50.49	390.71	6.89	-43.60
CC(CN(C)C(=O)C1CCC2(CNC(=O)C2)CC1)C1=N[N-]N=N1	REAL300019761208	0	46	-1.0	-52.28	344.37	2.26	-50.02
CC(CN(C)C(=O)C1CCC2(CNC(=O)C2)CC1)C1=NN=N[N-]1	REAL300019761208	1	46	-1.0	-52.29	344.43	2.27	-50.02
COC(=O)C1=C2CCCCC2=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL300019761209	0	45	-1.0	-44.89	364.88	6.08	-38.81
COC(=O)C1=C2CCCCC2=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL300019761209	1	45	-1.0	-44.85	364.94	6.10	-38.75
CC(CN(C)C(=O)C1CC(C2CCOCC2)=NO1)C1=N[N-]N=N1	REAL300019761210	0	44	-1.0	-52.06	346.11	3.51	-48.55
CC(CN(C)C(=O)C1CC(C2CCOCC2)=NO1)C1=NN=N[N-]1	REAL300019761210	1	44	-1.0	-52.09	346.16	3.53	-48.56
CC(CN(C)C(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300019761211	0	43	-1.0	-52.92	353.27	6.43	-46.49
CC(CN(C)C(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300019761211	1	43	-1.0	-52.93	353.33	6.44	-46.49
CC(C)CC1=CC=C2C(N)=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)SC2=N1	REAL300019761212	0	48	-1.0	-45.05	391.63	4.39	-40.66
CC(C)CC1=CC=C2C(N)=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)SC2=N1	REAL300019761212	1	48	-1.0	-45.02	391.68	4.41	-40.61
CC(CN(C)C(=O)C1CC(=O)N([C@H](C)C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL300019761213	0	49	-1.0	-50.67	387.14	6.75	-43.92
CC(CN(C)C(=O)C1CC(=O)N([C@H](C)C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL300019761213	1	49	-1.0	-50.68	387.20	6.77	-43.91
CC(CN(C)C(=O)C1=CC(Br)=CC2=C1NC(=O)CO2)C1=N[N-]N=N1	REAL300019761214	0	38	-1.0	-45.59	333.43	2.17	-43.42
CC(CN(C)C(=O)C1=CC(Br)=CC2=C1NC(=O)CO2)C1=NN=N[N-]1	REAL300019761214	1	38	-1.0	-45.57	333.48	2.18	-43.39
CC1=C(Br)C(=O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CN1C1CC1	REAL300019761215	0	42	-1.0	-55.23	353.15	5.80	-49.43
CC1=C(Br)C(=O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CN1C1CC1	REAL300019761215	1	42	-1.0	-55.24	353.21	5.81	-49.43
CC(CN(C)C(=O)C1=C2CCCCC2=NNC1=O)C1=N[N-]N=N1	REAL300019761216	0	41	-1.0	-50.30	327.33	2.13	-48.17
CC(CN(C)C(=O)C1=C2CCCCC2=NNC1=O)C1=NN=N[N-]1	REAL300019761216	1	41	-1.0	-50.25	327.39	2.14	-48.11
CC(CN(C)C(=O)C1=CC=C(N2CCCNS2(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019761217	0	46	-1.0	-50.49	369.22	1.07	-49.42
CC(CN(C)C(=O)C1=CC=C(N2CCCNS2(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019761217	1	46	-1.0	-50.44	369.27	1.09	-49.35
CC[C@@H]1C[C@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)N(C(=O)OC(C)(C)C)C1	REAL300019761218	0	55	-1.0	-56.65	419.38	5.97	-50.68
CC[C@@H]1C[C@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300019761218	1	55	-1.0	-56.66	419.44	5.98	-50.68
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CCCOC1)C1=N[N-]N=N1	REAL300019761219	0	56	-1.0	-39.12	407.87	2.28	-36.84
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CCCOC1)C1=NN=N[N-]1	REAL300019761219	1	56	-1.0	-39.14	407.93	2.29	-36.85
CC(CN(C)C(=O)C1=CN=C(C2CCOCC2)S1)C1=N[N-]N=N1	REAL300019761220	0	42	-1.0	-48.10	345.94	2.74	-45.36
CC(CN(C)C(=O)C1=CN=C(C2CCOCC2)S1)C1=NN=N[N-]1	REAL300019761220	1	42	-1.0	-48.12	346.00	2.76	-45.36
CC(CN(C)C(=O)C12CC(C(F)(F)F)(C1)CO2)C1=N[N-]N=N1	REAL300019761221	0	37	-1.0	-42.79	312.58	3.33	-39.46
CC(CN(C)C(=O)C12CC(C(F)(F)F)(C1)CO2)C1=NN=N[N-]1	REAL300019761221	1	37	-1.0	-42.79	312.64	3.34	-39.45
CC(CN(C)C(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300019761222	0	42	-1.0	-48.96	351.35	3.92	-45.04
CC(CN(C)C(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300019761222	1	42	-1.0	-48.96	351.41	3.93	-45.03
CC(CN(C)C(=O)C1=CN=C2COCCC2=C1)C1=N[N-]N=N1	REAL300019761223	0	39	-1.0	-44.44	312.74	2.29	-42.15
CC(CN(C)C(=O)C1=CN=C2COCCC2=C1)C1=NN=N[N-]1	REAL300019761223	1	39	-1.0	-44.43	312.80	2.31	-42.12
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019761224	0	40	-1.0	-41.71	328.68	6.05	-35.66
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019761224	1	40	-1.0	-41.70	328.74	6.07	-35.63
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=NN1CC(F)(F)F	REAL300019761225	0	38	-1.0	-49.62	328.23	4.26	-45.36
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=NN1CC(F)(F)F	REAL300019761225	1	38	-1.0	-49.65	328.29	4.28	-45.37
COCCOC1=CC(Br)=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019761226	0	43	-1.0	-48.39	370.16	4.17	-44.22
COCCOC1=CC(Br)=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019761226	1	43	-1.0	-48.40	370.22	4.18	-44.22
CC(CN(C)C(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL300019761227	0	39	-1.0	-51.33	330.91	6.14	-45.19
CC(CN(C)C(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL300019761227	1	39	-1.0	-51.34	330.97	6.16	-45.18
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019761228	0	41	-1.0	-43.50	340.60	6.39	-37.11
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019761228	1	41	-1.0	-43.48	340.55	6.38	-37.10
CC(CN(C)C(=O)C=CC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300019761229	0	33	-1.0	-48.25	309.61	5.27	-42.98
CC(CN(C)C(=O)C=CC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300019761229	1	33	-1.0	-48.26	309.67	5.29	-42.97
CC(CN(C)C(=O)C=CC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL300019761230	0	33	-1.0	-49.34	309.54	5.23	-44.11
CC(CN(C)C(=O)C=CC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL300019761230	1	33	-1.0	-49.32	309.60	5.24	-44.08
CC(CN(C)C(=O)C1=CC(F)=CC=C1NC(=O)[C@@H]1C[C@H]1C)C1=N[N-]N=N1	REAL300019761231	0	46	-1.0	-43.08	375.41	5.60	-37.48
CC(CN(C)C(=O)C1=CC(F)=CC=C1NC(=O)[C@@H]1C[C@H]1C)C1=NN=N[N-]1	REAL300019761231	1	46	-1.0	-43.05	375.47	5.62	-37.43
CC(CN(C)C(=O)C1=C(F)C=CC2=NNC=C21)C1=N[N-]N=N1	REAL300019761232	0	35	-1.0	-48.49	303.10	2.98	-45.51
CC(CN(C)C(=O)C1=C(F)C=CC2=NNC=C21)C1=NN=N[N-]1	REAL300019761232	1	35	-1.0	-48.47	303.15	2.99	-45.48
CC(CN(C)C(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL300019761233	0	37	-1.0	-43.80	315.88	3.74	-40.06
CC(CN(C)C(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL300019761233	1	37	-1.0	-43.78	315.83	3.72	-40.06
CC(CN(C)C(=O)C1=CC(F)=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL300019761234	0	37	-1.0	-44.18	307.54	4.53	-39.65
CC(CN(C)C(=O)C1=CC(F)=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL300019761234	1	37	-1.0	-44.12	307.49	4.51	-39.61
CC(CN(C)C(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=N[N-]N=N1	REAL300019761235	0	41	-1.0	-48.17	331.19	3.83	-44.34
CC(CN(C)C(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=NN=N[N-]1	REAL300019761235	1	41	-1.0	-48.18	331.25	3.85	-44.33
CC(=O)NC(C(=O)N(C)CC(C)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019761236	0	42	-1.0	-57.23	335.89	4.54	-52.69
CC(=O)NC(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019761236	1	42	-1.0	-57.23	335.95	4.55	-52.68
CCCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)N1SC2=CC=CC=C2C1=O	REAL300019761237	0	47	-1.0	-56.11	383.78	7.71	-48.40
CCCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)N1SC2=CC=CC=C2C1=O	REAL300019761237	1	47	-1.0	-56.13	383.84	7.72	-48.41
CC(CN(C)C(=O)C#CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019761238	0	34	-1.0	-46.59	311.13	5.91	-40.68
CC(CN(C)C(=O)C#CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019761238	1	34	-1.0	-46.59	311.19	5.93	-40.66
CC(CN(C)C(=O)C1=NC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL300019761239	0	43	-1.0	-47.81	318.18	4.68	-43.13
CC(CN(C)C(=O)C1=NC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL300019761239	1	43	-1.0	-47.79	318.12	4.66	-43.13
CC(CN(C)C(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019761240	0	50	-1.0	-45.69	382.30	5.03	-40.66
CC(CN(C)C(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019761240	1	50	-1.0	-45.78	382.35	5.04	-40.74
CC1=C(F)C=CC=C1C1(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019761241	0	42	-1.0	-45.46	335.11	6.43	-39.03
CC1=C(F)C=CC=C1C1(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019761241	1	42	-1.0	-45.46	335.17	6.44	-39.02
CC(CN(C)C(=O)C1(C2=CC=CS2)CCCC1)C1=N[N-]N=N1	REAL300019761242	0	42	-1.0	-41.99	326.22	5.81	-36.18
CC(CN(C)C(=O)C1(C2=CC=CS2)CCCC1)C1=NN=N[N-]1	REAL300019761242	1	42	-1.0	-41.97	326.28	5.83	-36.14
CC(CN(C)C(=O)C1=NOC(COC2=CC=C(F)C=C2F)=C1)C1=N[N-]N=N1	REAL300019761243	0	42	-1.0	-48.56	367.03	5.55	-43.01
CC(CN(C)C(=O)C1=NOC(COC2=CC=C(F)C=C2F)=C1)C1=NN=N[N-]1	REAL300019761243	1	42	-1.0	-48.54	367.09	5.56	-42.98
CC(CN(C)C(=O)C(C1=CC=CS1)C1CCCCC1)C1=N[N-]N=N1	REAL300019761244	0	48	-1.0	-46.68	372.37	7.66	-39.02
CC(CN(C)C(=O)C(C1=CC=CS1)C1CCCCC1)C1=NN=N[N-]1	REAL300019761244	1	48	-1.0	-46.71	372.43	7.68	-39.03
CC(CN(C)C(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300019761245	0	41	-1.0	-45.90	339.94	4.33	-41.57
CC(CN(C)C(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300019761245	1	41	-1.0	-45.86	339.89	4.31	-41.55
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC2=NNN=C21	REAL300019761246	0	37	-1.0	-48.54	305.34	1.97	-46.57
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC2=NNN=C21	REAL300019761246	1	37	-1.0	-48.47	305.40	1.99	-46.48
CCOC(=O)C12CCC(C(=O)N(C)CC(C)C3=N[N-]N=N3)(CC1)CC2	REAL300019761247	0	51	-1.0	-45.47	377.92	6.37	-39.10
CCOC(=O)C12CCC(C(=O)N(C)CC(C)C3=NN=N[N-]3)(CC1)CC2	REAL300019761247	1	51	-1.0	-45.50	377.98	6.39	-39.11
CC(CN(C)C(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=NN=N[N-]1	REAL300019761248	0	39	-1.0	-44.13	321.70	7.12	-37.01
CC(CN(C)C(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=N[N-]N=N1	REAL300019761248	1	39	-1.0	-44.16	321.64	7.10	-37.06
CC(CN(C)C(=O)CCC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL300019761249	0	40	-1.0	-50.97	333.55	2.82	-48.15
CC(CN(C)C(=O)CCC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL300019761249	1	40	-1.0	-51.00	333.61	2.84	-48.16
CC(CN(C)C(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=N[N-]N=N1	REAL300019761250	0	39	-1.0	-45.02	337.74	4.91	-40.11
CC(CN(C)C(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=NN=N[N-]1	REAL300019761250	1	39	-1.0	-45.03	337.80	4.92	-40.11
CC(CN(C)C(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=N[N-]N=N1	REAL300019761251	0	41	-1.0	-42.60	335.26	4.82	-37.78
CC(CN(C)C(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=NN=N[N-]1	REAL300019761251	1	41	-1.0	-42.57	335.32	4.83	-37.74
CC(CN(C)C(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=NN=N[N-]1	REAL300019761252	0	39	-1.0	-45.22	329.64	2.07	-43.15
CC(CN(C)C(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=N[N-]N=N1	REAL300019761252	1	39	-1.0	-45.24	329.58	2.06	-43.18
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CC(F)(F)C1)C1=N[N-]N=N1	REAL300019761253	0	49	-1.0	-51.64	390.40	4.34	-47.30
CC(CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CC(F)(F)C1)C1=NN=N[N-]1	REAL300019761253	1	49	-1.0	-51.68	390.45	4.36	-47.32
CC1=C(C(N)=O)C=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019761254	0	39	-1.0	-56.13	312.02	1.52	-54.61
CC1=C(C(N)=O)C=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019761254	1	39	-1.0	-56.11	312.08	1.54	-54.57
CC(CN(C)C(=O)CC1=CC(Cl)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019761255	0	35	-1.0	-47.31	328.45	6.23	-41.08
CC(CN(C)C(=O)CC1=CC(Cl)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019761255	1	35	-1.0	-47.31	328.51	6.24	-41.07
CC(CN(C)C(=O)CC1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL300019761256	0	38	-1.0	-52.66	332.79	3.63	-49.03
CC(CN(C)C(=O)CC1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL300019761256	1	38	-1.0	-52.64	332.85	3.64	-49.00
CC(CN(C)C(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=N[N-]N=N1	REAL300019761257	0	39	-1.0	-43.50	333.62	4.47	-39.03
CC(CN(C)C(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=NN=N[N-]1	REAL300019761257	1	39	-1.0	-43.50	333.68	4.49	-39.01
CCC1=CN2CCC(C(=O)N(C)CC(C)C3=N[N-]N=N3)CC2=N1	REAL300019761258	0	45	-1.0	-45.24	348.62	5.63	-39.61
CCC1=CN2CCC(C(=O)N(C)CC(C)C3=NN=N[N-]3)CC2=N1	REAL300019761258	1	45	-1.0	-45.22	348.68	5.65	-39.57
CC(CN(C)C(=O)CC1CCCC2CCCCC12)C1=N[N-]N=N1	REAL300019761259	0	51	-1.0	-42.80	367.98	7.54	-35.26
CC(CN(C)C(=O)CC1CCCC2CCCCC12)C1=NN=N[N-]1	REAL300019761259	1	51	-1.0	-42.81	368.04	7.55	-35.26
COC1=C2C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CSC2=CC=C1	REAL300019761260	0	39	-1.0	-50.91	327.59	5.97	-44.94
COC1=C2C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CSC2=CC=C1	REAL300019761260	1	39	-1.0	-50.88	327.64	5.99	-44.89
CC(CN(C)C(=O)C1=C2C=CC=CC2=NS1)C1=NN=N[N-]1	REAL300019761261	0	34	-1.0	-48.89	292.37	3.93	-44.96
CC(CN(C)C(=O)C1=C2C=CC=CC2=NS1)C1=N[N-]N=N1	REAL300019761261	1	34	-1.0	-48.92	292.31	3.91	-45.01
CC(CN(C)C(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300019761262	0	37	-1.0	-64.16	308.78	2.66	-61.50
CC(CN(C)C(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300019761262	1	37	-1.0	-64.11	308.73	2.64	-61.47
CC(CN(C)C(=O)C1=C2SC(Br)=CN2C=N1)C1=NN=N[N-]1	REAL300019761263	0	32	-1.0	-47.13	305.73	6.09	-41.04
CC(CN(C)C(=O)C1=C2SC(Br)=CN2C=N1)C1=N[N-]N=N1	REAL300019761263	1	32	-1.0	-47.13	305.68	6.07	-41.06
CCOC1=CC=C(Cl)N=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019761264	0	38	-1.0	-46.09	325.59	5.11	-40.98
CCOC1=CC=C(Cl)N=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019761264	1	38	-1.0	-46.06	325.54	5.10	-40.96
CC(CN(C)C(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL300019761265	0	38	-1.0	-42.07	322.56	4.45	-37.62
CC(CN(C)C(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL300019761265	1	38	-1.0	-42.10	322.61	4.46	-37.64
CC(CN(C)C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019761266	0	53	-1.0	-50.21	396.45	3.87	-46.34
CC(CN(C)C(=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019761266	1	53	-1.0	-50.19	396.51	3.88	-46.31
CC(CN(C)C(=O)C12CCC(CNC(=O)OC(C)(C)C)(C1)OC2)C1=N[N-]N=N1	REAL300019761267	0	57	-1.0	-45.89	427.99	2.71	-43.18
CC(CN(C)C(=O)C12CCC(CNC(=O)OC(C)(C)C)(C1)OC2)C1=NN=N[N-]1	REAL300019761267	1	57	-1.0	-45.92	428.04	2.72	-43.20
CC(CN(C)C(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019761268	0	53	-1.0	-54.79	401.53	6.04	-48.75
CC(CN(C)C(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019761268	1	53	-1.0	-54.78	401.59	6.05	-48.73
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL300019761269	0	56	-1.0	-43.58	419.16	4.29	-39.29
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019761269	1	56	-1.0	-43.60	419.22	4.31	-39.29
CCO[C@@H]1C[C@@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)N(C(=O)OC(C)(C)C)C1	REAL300019761270	0	56	-1.0	-51.46	431.83	4.61	-46.85
CCO[C@@H]1C[C@@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300019761270	1	56	-1.0	-51.45	431.89	4.62	-46.83
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CC2CC2C1)C1=N[N-]N=N1	REAL300019761271	0	56	-1.0	-40.63	417.63	4.84	-35.79
CC(CN(C)C(=O)C(NC(=O)OC(C)(C)C)C1CC2CC2C1)C1=NN=N[N-]1	REAL300019761271	1	56	-1.0	-40.60	417.69	4.86	-35.74
CC(CN(C)C(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019761272	0	52	-1.0	-52.63	414.74	2.44	-50.19
CC(CN(C)C(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019761272	1	52	-1.0	-52.65	414.68	2.43	-50.22
CC(CN(C)C(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019761273	0	52	-1.0	-47.56	397.89	5.09	-42.47
CC(CN(C)C(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019761273	1	52	-1.0	-47.54	397.95	5.10	-42.44
CC(CN(C)C(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019761274	0	61	0.0	-82.59	449.78	4.63	-77.96
CC(CN(C)C(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019761274	1	61	0.0	-82.62	449.84	4.64	-77.98
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019761275	0	50	-1.0	-44.40	394.98	3.95	-40.45
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019761275	1	50	-1.0	-44.38	395.04	3.96	-40.42
CC(CN(C)C(=O)C1=CC2=C(CCCC2=O)N1)C1=N[N-]N=N1	REAL300019761276	0	39	-1.0	-53.39	314.47	4.02	-49.37
CC(CN(C)C(=O)C1=CC2=C(CCCC2=O)N1)C1=NN=N[N-]1	REAL300019761276	1	39	-1.0	-53.39	314.52	4.03	-49.36
CC(CN(C)C(=O)C1=C(N)C2=CC=C(C(C)(C)C)N=C2S1)C1=NN=N[N-]1	REAL300019761277	0	48	-1.0	-44.86	388.07	4.29	-40.57
CC(CN(C)C(=O)C1=C(N)C2=CC=C(C(C)(C)C)N=C2S1)C1=N[N-]N=N1	REAL300019761277	1	48	-1.0	-44.84	388.01	4.27	-40.57
CC(CN(C)C(=O)C1=COC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL300019761278	0	39	-1.0	-47.13	328.56	3.95	-43.18
CC(CN(C)C(=O)C1=COC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL300019761278	1	39	-1.0	-47.06	328.50	3.93	-43.13
COC1=CC=C(Cl)C(F)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019761279	0	36	-1.0	-51.65	321.43	4.14	-47.51
COC1=CC=C(Cl)C(F)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019761279	1	36	-1.0	-51.67	321.48	4.15	-47.52
CC(CN(C)C(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=N[N-]N=N1	REAL300019761280	0	37	-1.0	-53.34	316.52	4.54	-48.80
CC(CN(C)C(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=NN=N[N-]1	REAL300019761280	1	37	-1.0	-53.33	316.58	4.55	-48.78
CC(CN(C)C(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019761281	0	40	-1.0	-48.60	326.50	5.53	-43.07
CC(CN(C)C(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019761281	1	40	-1.0	-48.60	326.56	5.54	-43.06
CC(CN(C)C(=O)[C@]12CCO[C@H]1CC(=O)NC2)C1=N[N-]N=N1	REAL300019761282	0	41	-1.0	-53.61	310.76	-0.60	-54.21
CC(CN(C)C(=O)[C@]12CCO[C@H]1CC(=O)NC2)C1=NN=N[N-]1	REAL300019761282	1	41	-1.0	-53.60	310.82	-0.59	-54.19
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C(S(N)(=O)=O)S1	REAL300019761283	0	37	-1.0	-56.04	321.42	-0.04	-56.08
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C(S(N)(=O)=O)S1	REAL300019761283	1	37	-1.0	-56.04	321.48	-0.02	-56.06
CC(CN(C)C(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019761284	0	54	-1.0	-43.37	370.66	5.81	-37.56
CC(CN(C)C(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019761284	1	54	-1.0	-43.36	370.72	5.83	-37.53
COC1=CC(Br)=CC=C1C(=O)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019761285	0	38	-1.0	-42.71	340.07	5.31	-37.40
COC1=CC(Br)=CC=C1C(=O)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019761285	1	38	-1.0	-42.68	340.13	5.33	-37.35
CC(CN(C)C(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300019761286	0	41	-1.0	-49.51	342.40	4.35	-45.16
CC(CN(C)C(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300019761286	1	41	-1.0	-49.49	342.34	4.34	-45.15
CC(CN(C)C(=O)C1=C2NC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL300019761287	0	36	-1.0	-44.53	303.43	4.19	-40.34
CC(CN(C)C(=O)C1=C2NC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL300019761287	1	36	-1.0	-44.52	303.49	4.21	-40.31
CCC1=NNC(CC)=C1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019761288	0	44	-1.0	-50.78	348.55	4.03	-46.75
CCC1=NNC(CC)=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019761288	1	44	-1.0	-50.77	348.50	4.01	-46.76
CC(CN(C)C(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=NN=N[N-]1	REAL300019761289	0	42	-1.0	-58.55	345.46	2.64	-55.91
CC(CN(C)C(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=N[N-]N=N1	REAL300019761289	1	42	-1.0	-58.60	345.40	2.63	-55.97
CC(CN(C)C(=O)[C@@H](O)CC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019761290	0	45	-1.0	-45.07	362.48	5.76	-39.31
CC(CN(C)C(=O)[C@@H](O)CC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019761290	1	45	-1.0	-45.09	362.54	5.78	-39.31
CC(CN(C)C(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=N[N-]N=N1	REAL300019761291	0	39	-1.0	-60.43	335.97	1.36	-59.07
CC(CN(C)C(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=NN=N[N-]1	REAL300019761291	1	39	-1.0	-60.42	336.03	1.38	-59.04
CC(CN(C)C(=O)CCC(=O)C1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300019761292	0	37	-1.0	-44.58	344.39	5.45	-39.13
CC(CN(C)C(=O)CCC(=O)C1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300019761292	1	37	-1.0	-44.60	344.45	5.47	-39.13
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL300019761293	0	50	0.0	-64.35	363.70	6.34	-58.01
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL300019761293	1	50	0.0	-56.86	347.95	6.23	-50.63
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019761293	1	50	0.0	-64.41	363.76	6.36	-58.05
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019761293	1	50	0.0	-56.91	348.00	6.25	-50.66
CCC(CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(C)(C)C	REAL300019764202	0	47	-1.0	-41.72	378.02	6.59	-35.13
CCC(CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(C)(C)C	REAL300019764202	1	47	-1.0	-41.67	378.08	6.60	-35.07
CCC1=CC=C(F)C=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764203	0	39	-1.0	-42.30	351.98	6.96	-35.34
CCC1=CC=C(F)C=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764203	1	39	-1.0	-42.30	351.92	6.94	-35.36
COCC1=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C=CS1	REAL300019764204	0	37	-1.0	-44.88	353.49	4.28	-40.60
COCC1=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C=CS1	REAL300019764204	1	37	-1.0	-44.93	353.43	4.27	-40.66
CN1C=CC2=CC=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=C(Cl)C(F)=C3)C=C21	REAL300019764205	0	40	-1.0	-47.40	365.28	7.27	-40.13
CN1C=CC2=CC=C(C(=O)NC(C3=N[N-]N=N3)C3=CC=C(Cl)C(F)=C3)C=C21	REAL300019764205	1	40	-1.0	-47.43	365.22	7.26	-40.17
COC(=O)C1=NN(C)C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019764206	0	39	-1.0	-41.97	368.99	3.81	-38.16
COC(=O)C1=NN(C)C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019764206	1	39	-1.0	-42.00	368.94	3.79	-38.21
COC(=O)[C@@H]1O[C@@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C[C@H]1C	REAL300019764207	0	43	-1.0	-49.16	388.67	5.66	-43.50
COC(=O)[C@@H]1O[C@@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C[C@H]1C	REAL300019764207	1	43	-1.0	-49.19	388.73	5.68	-43.51
O=C(C=CC1=CC=C(Cl)S1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764208	0	34	-1.0	-41.81	353.37	6.44	-35.37
O=C(C=CC1=CC=C(Cl)S1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764208	1	34	-1.0	-41.77	353.31	6.42	-35.35
O=C(CC1CCC(F)(F)CC1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764209	0	42	-1.0	-44.12	367.11	6.59	-37.53
O=C(CC1CCC(F)(F)CC1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764209	1	42	-1.0	-44.10	367.16	6.61	-37.49
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019764210	0	43	-1.0	-43.24	385.55	8.21	-35.03
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019764210	1	43	-1.0	-43.24	385.50	8.20	-35.04
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(C(F)F)O1	REAL300019764211	0	33	-1.0	-41.10	330.87	4.65	-36.45
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(C(F)F)O1	REAL300019764211	1	33	-1.0	-41.11	330.81	4.63	-36.48
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=C(C(F)F)N=CO1	REAL300019764212	0	32	-1.0	-46.78	320.15	1.11	-45.67
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=C(C(F)F)N=CO1	REAL300019764212	1	32	-1.0	-46.72	320.09	1.09	-45.63
NC(=O)CCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764213	0	33	-1.0	-43.62	313.90	0.05	-43.57
NC(=O)CCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764213	1	33	-1.0	-43.62	313.84	0.03	-43.59
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=CC(C#CCO)=C1	REAL300019764214	0	39	-1.0	-50.60	372.07	4.34	-46.26
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=CC(C#CCO)=C1	REAL300019764214	1	39	-1.0	-50.60	372.02	4.32	-46.28
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N=CN1	REAL300019764215	0	32	-1.0	-52.21	312.16	1.75	-50.46
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N=CN1	REAL300019764215	1	32	-1.0	-52.21	312.10	1.73	-50.48
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N=C[N-]1	REAL300019764215	1	31	-2.0	-91.13	310.81	1.25	-89.88
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N=C[N-]1	REAL300019764215	1	31	-2.0	-91.15	310.76	1.23	-89.92
O=C(CN1CCOC1=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764216	0	35	-1.0	-57.11	331.49	3.02	-54.09
O=C(CN1CCOC1=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764216	1	35	-1.0	-57.05	331.43	3.01	-54.04
O=C(CCCN1C=NC=N1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764217	0	38	-1.0	-52.80	354.89	6.41	-46.39
O=C(CCCN1C=NC=N1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764217	1	38	-1.0	-52.82	354.83	6.40	-46.42
CC1=C(C=O)C(C)=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)N1	REAL300019764218	0	39	-1.0	-50.86	357.58	4.31	-46.55
CC1=C(C=O)C(C)=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)N1	REAL300019764218	1	39	-1.0	-50.84	357.52	4.29	-46.55
O=C(CN1CCNC(=O)C1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764219	0	39	-1.0	-47.70	344.19	-0.75	-48.45
O=C(CN1CCNC(=O)C1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764219	1	39	-1.0	-47.68	344.13	-0.76	-48.44
CCCC=CC(O)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764220	0	40	-1.0	-41.15	361.83	4.19	-36.96
CCCC=CC(O)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764220	1	40	-1.0	-41.17	361.78	4.18	-36.99
COC1=CC(CO)=CC=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764221	0	41	-1.0	-50.13	371.73	3.39	-46.74
COC1=CC(CO)=CC=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764221	1	41	-1.0	-50.10	371.68	3.37	-46.73
CC1=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C(Cl)=NN1	REAL300019764222	0	33	-1.0	-46.93	334.07	2.87	-44.06
CC1=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C(Cl)=NN1	REAL300019764222	1	33	-1.0	-46.97	334.01	2.85	-44.12
CC1=NC=C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)O1	REAL300019764223	0	35	-1.0	-48.34	333.67	1.80	-46.54
CC1=NC=C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)O1	REAL300019764223	1	35	-1.0	-48.35	333.61	1.79	-46.56
O=C(CC1=CON=C1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764224	0	32	-1.0	-44.08	311.23	3.59	-40.49
O=C(CC1=CON=C1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764224	1	32	-1.0	-44.15	311.18	3.58	-40.57
CC1CCC2=NC(C(=O)NC(C3=NN=N[N-]3)C3=CC=C(Cl)C(F)=C3)=CN2C1	REAL300019764225	0	43	-1.0	-48.49	379.71	6.26	-42.23
CC1CCC2=NC(C(=O)NC(C3=N[N-]N=N3)C3=CC=C(Cl)C(F)=C3)=CN2C1	REAL300019764225	1	43	-1.0	-48.49	379.65	6.24	-42.25
CC1=NC=C(C=CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)S1	REAL300019764226	0	36	-1.0	-44.42	353.43	4.71	-39.71
CC1=NC=C(C=CC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)S1	REAL300019764226	1	36	-1.0	-44.41	353.37	4.69	-39.72
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=NC2=CC=NN21	REAL300019764227	0	35	-1.0	-46.55	331.94	4.75	-41.80
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=NC2=CC=NN21	REAL300019764227	1	35	-1.0	-46.58	331.89	4.74	-41.84
NC(=O)C1=CC=C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C=N1	REAL300019764228	0	39	-1.0	-46.55	368.06	1.25	-45.30
NC(=O)C1=CC=C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C=N1	REAL300019764228	1	39	-1.0	-46.53	368.00	1.24	-45.29
O=CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)S1	REAL300019764229	0	32	-1.0	-47.16	328.45	4.37	-42.79
O=CC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)S1	REAL300019764229	1	32	-1.0	-47.12	328.39	4.35	-42.77
C[NH+]1CCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764230	0	42	0.0	-60.32	356.37	5.60	-54.72
C[NH+]1CCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764230	1	42	0.0	-60.28	356.31	5.58	-54.70
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=NC=CN=C1Cl	REAL300019764231	0	31	-1.0	-46.20	316.27	2.39	-43.81
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=NC=CN=C1Cl	REAL300019764231	1	31	-1.0	-46.23	316.21	2.37	-43.86
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=NC2=CC=NN2C=C1	REAL300019764232	0	35	-1.0	-43.78	336.20	4.51	-39.27
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=NC2=CC=NN2C=C1	REAL300019764232	1	35	-1.0	-43.81	336.14	4.49	-39.32
CN1C=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)N(C)C1=O	REAL300019764233	0	37	-1.0	-46.92	343.31	4.27	-42.65
CN1C=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)N(C)C1=O	REAL300019764233	1	37	-1.0	-46.90	343.26	4.25	-42.65
CC1=NC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)N1C	REAL300019764234	0	36	-1.0	-44.78	332.31	4.47	-40.31
CC1=NC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)N1C	REAL300019764234	1	36	-1.0	-44.79	332.25	4.46	-40.33
NC(=O)[C@@H]1C[C@@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764235	0	34	-1.0	-56.76	323.79	0.58	-56.18
NC(=O)[C@@H]1C[C@@H]1C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764235	1	34	-1.0	-56.82	323.74	0.57	-56.25
CC[C@@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300019764236	0	41	0.0	-46.91	342.46	4.94	-41.97
O=CC1=CC=C(C=CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300019764237	0	39	-1.0	-47.02	369.29	6.45	-40.57
O=CC1=CC=C(C=CC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300019764237	1	39	-1.0	-47.01	369.23	6.43	-40.58
CC[C@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300019764238	0	41	0.0	-51.52	342.32	4.93	-46.59
O=CC1=CC(F)=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C=C1F	REAL300019764239	0	35	-1.0	-48.18	343.90	5.40	-42.78
O=CC1=CC(F)=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C=C1F	REAL300019764239	1	35	-1.0	-48.20	343.84	5.39	-42.81
CC1CCN2C=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=C(Cl)C(F)=C3)N=C2C1	REAL300019764240	0	43	-1.0	-48.72	379.71	6.28	-42.44
CC1CCN2C=C(C(=O)NC(C3=N[N-]N=N3)C3=CC=C(Cl)C(F)=C3)N=C2C1	REAL300019764240	1	43	-1.0	-48.71	379.65	6.27	-42.44
CN1CC[N@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764241	0	47	0.0	-52.51	383.70	4.10	-48.41
CN1CC[N@@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764241	1	47	0.0	-58.51	380.80	3.52	-54.99
CN1CC[N@H+](C)CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764241	1	47	0.0	-52.56	383.64	4.09	-48.47
CN1CC[N@@H+](C)CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764241	1	47	0.0	-58.53	380.75	3.50	-55.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(N2C=CN=C2)=CC=C1O	REAL300019772202	0	39	-1.0	-48.55	337.42	3.88	-44.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(Br)=N1	REAL300019772203	0	27	-1.0	-41.12	281.65	0.66	-40.46
CC(C)CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CN=C1	REAL300019772204	0	43	-1.0	-44.35	356.57	5.15	-39.20
CN1C(Cl)=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772205	0	31	-1.0	-45.55	289.23	1.94	-43.61
CN1CCCC1C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300019772206	0	43	-1.0	-42.30	359.15	0.01	-42.29
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300019772206	1	44	0.0	-75.57	358.70	2.54	-73.03
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300019772206	1	44	0.0	-72.97	359.10	2.54	-70.43
CN1C(=O)CSC1=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772207	0	34	-1.0	-49.63	305.91	1.52	-48.11
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(C2=CC=CC=C2)=NO1	REAL300019772208	0	42	-1.0	-44.82	360.24	3.94	-40.88
O=C(CCC(=O)NC1=C(F)C=CC=C1F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772209	0	41	-1.0	-47.58	361.47	2.95	-44.63
CN(C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C=C1	REAL300019772210	0	42	-1.0	-43.25	363.82	3.45	-39.80
C[NH+](C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C=C1	REAL300019772210	1	43	0.0	-68.38	364.28	5.48	-62.90
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL300019772211	0	46	-1.0	-44.70	368.90	4.84	-39.86
CC1=CC=CC2=NC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N21	REAL300019772212	0	37	-1.0	-49.36	311.02	3.95	-45.41
CC(=CC1=CC=NC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772213	0	37	-1.0	-44.25	315.64	3.09	-41.16
CC(=CC1=CC=CC=N1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772214	0	37	-1.0	-43.70	316.25	4.13	-39.57
CC(=CC1=CC=CN=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772215	0	37	-1.0	-44.95	315.57	3.08	-41.87
CC(=CC1=CC=CO1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772216	0	35	-1.0	-43.74	302.13	3.26	-40.48
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC(=O)C2=CC=CC=C21	REAL300019772217	0	40	-1.0	-46.68	335.89	2.96	-43.72
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1CCC2=CC=CC=C21	REAL300019772218	0	46	-1.0	-48.29	363.82	4.34	-43.95
CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300019772219	0	41	-1.0	-48.72	352.46	2.89	-45.83
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(NC2CC2)=N1	REAL300019772220	0	42	-1.0	-43.37	355.67	3.21	-40.16
CC1=CC=C(C2=NC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)S2)C=C1C	REAL300019772221	0	43	-1.0	-43.29	377.84	5.18	-38.11
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772222	0	40	-1.0	-48.90	358.60	3.64	-45.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300019772223	0	40	-1.0	-41.52	354.63	3.31	-38.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CC2(F)F)CC1	REAL300019772224	0	41	-1.0	-43.97	342.02	4.77	-39.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C(F)F)C=C1F	REAL300019772225	0	34	-1.0	-55.78	311.40	4.06	-51.72
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772226	0	39	-1.0	-46.08	348.54	4.17	-41.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(OCC(F)(F)F)O1	REAL300019772227	0	35	-1.0	-45.14	330.61	2.87	-42.27
NC1=C(Cl)C(F)=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300019772228	0	33	-1.0	-41.76	318.37	2.13	-39.63
CS(=O)(=O)C1=CC=C(NCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772229	0	42	-1.0	-55.36	371.17	-0.45	-55.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC(CO)=C1	REAL300019772230	0	32	-1.0	-48.41	289.40	-1.47	-49.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC=C1NC(=O)C(F)(F)F	REAL300019772231	0	37	-1.0	-44.20	337.42	0.97	-43.23
COC1=CC=CC(O)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772232	0	36	-1.0	-48.86	316.33	-0.53	-49.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(N2CCCCC2)=N1	REAL300019772233	0	42	-1.0	-44.19	358.18	2.53	-41.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300019772234	0	38	-1.0	-42.74	342.61	1.21	-41.53
CCC(CC)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)OC(C)(C)C	REAL300019772235	0	51	-1.0	-55.08	397.91	5.94	-49.14
C[C@H]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772236	0	40	-1.0	-42.40	319.12	3.91	-38.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=CN=CC=C2C=C1	REAL300019772237	0	36	-1.0	-45.32	313.63	3.55	-41.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC[N@H+](C1)CCC2	REAL300019772238	0	41	0.0	-74.23	313.70	2.77	-71.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC[N@@H+](C1)CCC2	REAL300019772238	1	41	0.0	-74.56	313.58	2.79	-71.77
CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772239	0	49	-1.0	-45.60	392.05	3.98	-41.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC2=C1NC(=O)N2	REAL300019772240	0	34	-1.0	-49.35	301.50	-0.73	-50.08
CN1CCC(CC2=CC=CC=C2)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300019772241	0	48	-1.0	-50.94	389.75	4.77	-46.17
CN1C(=O)[C@H](O)[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@H]1C1=CC=CC=C1	REAL300019772242	0	46	-1.0	-47.28	383.15	2.21	-45.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2N=CNC2=CN=C1	REAL300019772243	0	33	-1.0	-53.35	292.91	1.06	-52.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2NC=NC2=CN=C1	REAL300019772243	1	33	-1.0	-45.06	291.63	1.09	-43.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL300019772244	0	39	-1.0	-45.48	341.94	3.43	-42.05
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CCC1	REAL300019772245	0	50	-1.0	-44.63	395.25	5.61	-39.02
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(C2=CC=CC=C2F)=N1	REAL300019772246	0	40	-1.0	-43.37	360.24	4.58	-38.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(N2C=NC=N2)=N1	REAL300019772247	0	36	-1.0	-44.45	325.39	4.97	-39.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2N=CSC2=CC=C1	REAL300019772248	0	33	-1.0	-51.21	302.72	2.70	-48.51
CS(=O)(=O)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300019772249	0	34	-1.0	-54.20	319.35	-1.36	-55.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CSC[C@H]1C1=CC=CC=C1	REAL300019772250	0	42	-1.0	-49.14	356.27	5.85	-43.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC2=CC=C(Cl)C=C12	REAL300019772251	0	34	-1.0	-53.27	318.41	3.91	-49.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2=CC=CC=C2)C=N1	REAL300019772252	0	38	-1.0	-45.17	332.81	5.31	-39.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1NCC1=CC=CO1	REAL300019772253	0	43	-1.0	-45.75	364.83	4.17	-41.58
CNC1=CC(Cl)=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772254	0	36	-1.0	-44.85	319.15	2.74	-42.11
O=C(CNC1=CC=CC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772255	0	35	-1.0	-47.65	304.99	1.14	-46.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC(NC2CCC2)=C1	REAL300019772256	0	42	-1.0	-47.46	350.84	3.13	-44.33
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772257	0	45	-1.0	-44.14	378.29	3.94	-40.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCS(=O)(=O)N1	REAL300019772258	0	33	-1.0	-63.89	296.35	-3.65	-67.54
CC(C)(O)C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772259	0	47	-1.0	-46.19	354.68	1.81	-44.38
O=C(C=CC1CCCCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772260	0	44	-1.0	-42.60	346.58	5.06	-37.54
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772261	0	36	-1.0	-49.77	324.49	4.15	-45.62
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772262	0	50	-1.0	-50.20	397.12	2.02	-48.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2=CC=CC=C2C1	REAL300019772263	0	41	-1.0	-46.74	337.14	5.40	-41.34
CC(COCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300019772264	0	44	-1.0	-50.59	370.38	5.34	-45.25
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O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1COCC2	REAL300019772357	0	39	-1.0	-45.52	320.83	3.18	-42.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CC2(F)F)C1	REAL300019772358	0	35	-1.0	-47.59	309.83	3.57	-44.02
CC1=CC(F)=CC(C)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772359	0	37	-1.0	-41.66	322.08	4.05	-37.61
CN1N=CC(C2CCC2)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772360	0	41	-1.0	-45.72	346.12	3.32	-42.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(N2C=NN=N2)CC1	REAL300019772361	0	33	-1.0	-50.92	294.40	1.33	-49.59
C[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019772362	0	47	-1.0	-45.17	377.07	3.10	-42.07
COC(=O)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)O1	REAL300019772363	0	37	-1.0	-45.50	330.68	2.63	-42.87
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(CO)C1=CC=CC=C1	REAL300019772364	0	38	-1.0	-45.04	324.52	0.96	-44.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCN1C1CCCC1	REAL300019772365	0	43	-1.0	-49.81	341.34	1.48	-48.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300019772365	1	44	0.0	-69.94	345.60	4.42	-65.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@H+]1C1CCCC1	REAL300019772365	1	44	0.0	-69.93	344.00	4.29	-65.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=C(Br)C=N1	REAL300019772366	0	30	-1.0	-39.63	306.28	2.38	-37.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2N=C(CO)NC2=CC=C1	REAL300019772367	0	38	-1.0	-53.92	330.33	-0.55	-54.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2NC(CO)=NC2=CC=C1	REAL300019772367	1	38	-1.0	-49.21	328.86	-0.53	-49.74
CCC1=CNC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019772368	0	37	-1.0	-52.24	319.27	1.80	-50.44
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772369	0	39	-1.0	-52.89	335.49	4.08	-48.81
CC(=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CN1CCOCC1	REAL300019772370	0	44	-1.0	-43.46	354.94	0.50	-42.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN=C(C2=CC=CO2)O1	REAL300019772371	0	33	-1.0	-43.78	309.24	-2.82	-46.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019772372	0	34	-1.0	-51.20	311.89	2.69	-48.51
CN(C)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C(F)(F)F)=C1	REAL300019772373	0	42	-1.0	-42.20	363.87	4.46	-37.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019772374	0	35	-1.0	-43.34	329.05	4.53	-38.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN2C=CC=NC2=N1	REAL300019772375	0	32	-1.0	-52.65	293.88	3.20	-49.45
CC(=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CO1	REAL300019772376	0	35	-1.0	-42.91	306.68	3.14	-39.77
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772377	0	38	-1.0	-45.01	334.37	3.24	-41.77
CC1=NNC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300019772378	0	37	-1.0	-45.72	321.15	2.35	-43.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)C=CC2=CC=NC=C21	REAL300019772379	0	36	-1.0	-48.36	322.93	3.35	-45.01
NC(=O)N=NC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772380	0	37	-1.0	-49.35	334.09	-1.77	-51.12
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCNC1=O	REAL300019772381	0	35	-1.0	-43.14	296.35	-1.14	-44.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC(=S)N1C1CC1	REAL300019772382	0	36	-1.0	-57.01	316.58	3.25	-53.76
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772383	0	41	-1.0	-45.91	359.92	2.55	-43.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC(C2=CC=CN=C2)=N1	REAL300019772384	0	36	-1.0	-44.17	328.14	-0.28	-44.45
CC1=CC=NC=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772385	0	36	-1.0	-51.27	309.64	2.43	-48.84
COCCCN1N=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CC1=O	REAL300019772386	0	43	-1.0	-44.22	372.15	0.90	-43.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C=CSC2=NC=N1	REAL300019772387	0	32	-1.0	-41.61	298.68	2.37	-39.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300019772388	0	48	-1.0	-49.26	363.67	4.23	-45.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NN1C(F)F	REAL300019772389	0	31	-1.0	-46.14	281.37	1.40	-44.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2=NOC=C2)OC=N1	REAL300019772390	0	33	-1.0	-53.90	302.41	-0.77	-54.67
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300019772391	0	45	-1.0	-46.72	377.16	4.56	-42.16
CC(C)C1=CC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772392	0	40	-1.0	-46.75	330.73	4.84	-41.91
CC1=NN(C(C)CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772393	0	40	-1.0	-49.32	336.50	2.75	-46.57
O=C(CCCC1=CC=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772394	0	39	-1.0	-52.19	335.33	3.53	-48.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(CF)C=C1	REAL300019772395	0	34	-1.0	-44.68	300.95	3.86	-40.82
COC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C(F)(F)F	REAL300019772396	0	38	-1.0	-43.97	339.57	3.44	-40.53
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC1	REAL300019772397	0	39	-1.0	-46.89	324.29	0.91	-45.98
CC(C)(C)N1N=NC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019772398	0	41	-1.0	-55.28	350.95	1.30	-53.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2COCCC2=C1	REAL300019772399	0	39	-1.0	-44.89	326.44	3.15	-41.74
O=C(CCC1CC1(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772400	0	34	-1.0	-50.10	302.75	3.22	-46.88
COCCCOCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772401	0	41	-1.0	-47.00	348.28	0.65	-46.35
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772402	0	39	-1.0	-41.67	341.60	3.22	-38.45
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019772403	0	34	-1.0	-41.39	328.48	4.99	-36.40
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772404	0	42	-1.0	-45.09	354.72	4.39	-40.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300019772405	0	40	-1.0	-47.27	352.15	4.67	-42.60
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772406	0	50	-1.0	-48.55	399.44	7.54	-41.01
COCC1=CN=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772407	0	37	-1.0	-44.41	322.79	0.98	-43.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(F)(F)F)CCCCC1	REAL300019772408	0	40	-1.0	-43.18	324.28	4.08	-39.10
CN(C)C(=O)C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772409	0	47	-1.0	-58.12	365.51	3.06	-55.06
CC1=C(Br)C=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772410	0	33	-1.0	-41.57	302.49	2.47	-39.10
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CC=N1	REAL300019772411	0	37	-1.0	-51.17	311.99	2.40	-48.77
CC(C)[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1CC2=CC=CC=C2C1=O	REAL300019772412	0	48	-1.0	-63.69	389.99	6.86	-56.83
COC1=CC=C(OC(C)(C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772413	0	45	-1.0	-50.49	362.69	3.68	-46.81
CC(C)CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C=C1	REAL300019772414	0	46	-1.0	-47.90	387.93	6.73	-41.17
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300019772415	0	44	-1.0	-48.29	367.25	3.32	-44.97
COC1=CC=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300019772416	0	38	-1.0	-50.66	340.62	3.50	-47.16
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2CCCN12	REAL300019772417	0	35	-1.0	-50.95	298.95	2.58	-48.37
CCCCC(C)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772418	0	39	-1.0	-43.19	324.14	3.54	-39.65
CC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(N)=N1	REAL300019772419	0	34	-1.0	-45.66	294.75	0.17	-45.49
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N(C)C(=O)OC(C)(C)C	REAL300019772420	0	50	-1.0	-49.22	397.18	4.25	-44.97
O=C(CCC1CC1(Cl)Cl)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772421	0	34	-1.0	-48.75	322.14	4.08	-44.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(CC1COCCO1)C(F)(F)F	REAL300019772422	0	42	-1.0	-42.02	354.21	1.86	-40.16
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300019772423	0	41	-1.0	-48.93	359.41	3.92	-45.01
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772424	0	44	-1.0	-44.33	366.34	2.26	-42.07
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772425	0	51	-1.0	-55.87	407.41	3.81	-52.06
O=C(CC1=CC=C(Br)C=C1F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772426	0	34	-1.0	-49.00	324.34	4.39	-44.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019772427	0	37	-1.0	-52.45	329.56	3.05	-49.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(N2C=NN=N2)CCOCC1	REAL300019772428	0	40	-1.0	-46.31	326.99	0.95	-45.36
CC(C)N(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)OC(C)(C)C	REAL300019772429	0	50	-1.0	-52.22	396.41	4.38	-47.84
CC(=O)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1OC(C)C	REAL300019772430	0	46	-1.0	-47.61	381.80	5.61	-42.00
C[NH+](C)CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772431	0	40	0.0	-69.92	322.38	3.19	-66.73
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772432	0	50	0.0	-79.94	389.09	3.84	-76.10
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772432	1	50	0.0	-80.46	397.46	4.27	-76.19
NC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1CC1=CC=CC=C1	REAL300019772433	0	43	-1.0	-45.37	367.79	3.73	-41.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2CCCCN2C=C1	REAL300019772434	0	39	-1.0	-45.77	321.66	4.30	-41.47
CC1=CC=NC(NC2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)=N1	REAL300019772435	0	44	-1.0	-48.23	376.54	6.19	-42.04
CCNC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019772436	0	35	-1.0	-43.45	318.82	1.07	-42.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2CC2)C=C1	REAL300019772437	0	38	-1.0	-43.19	322.16	5.14	-38.05
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC1	REAL300019772438	0	41	-1.0	-48.70	333.05	3.48	-45.22
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772439	0	41	-1.0	-47.32	343.05	5.61	-41.71
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2=CC=CC=C2CO1	REAL300019772440	0	39	-1.0	-50.26	329.85	4.15	-46.11
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC1	REAL300019772441	0	44	-1.0	-48.70	350.24	4.02	-44.68
CC(CC1=CC=CO1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772442	0	37	-1.0	-43.55	316.54	3.23	-40.32
CC1CC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C2O1	REAL300019772443	0	39	-1.0	-44.24	329.57	3.64	-40.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(C1)CCCCC2	REAL300019772444	0	44	-1.0	-42.89	343.70	4.95	-37.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019772445	0	37	-1.0	-43.45	331.17	5.82	-37.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300019772446	0	37	-1.0	-50.82	339.68	5.21	-45.61
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)N1C1=CN(C)N=C1	REAL300019772447	0	45	-1.0	-50.85	380.31	4.62	-46.23
CC1=NC(C2=CC=CS2)=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019772448	0	40	-1.0	-50.80	368.99	4.08	-46.72
COCC1=CSC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772449	0	35	-1.0	-43.78	320.12	1.79	-41.99
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772450	0	38	-1.0	-51.09	306.82	2.91	-48.18
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCO1	REAL300019772451	0	41	-1.0	-45.89	327.59	2.38	-43.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019772452	0	44	0.0	-68.72	359.98	3.65	-65.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(NC2=NCCC2)C=C1	REAL300019772452	1	43	-1.0	-45.94	359.22	3.69	-42.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019772453	0	45	-1.0	-46.96	384.03	3.81	-43.15
NC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(Br)=N1	REAL300019772454	0	32	-1.0	-42.12	304.50	0.55	-41.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC2=C1COCC2	REAL300019772455	0	35	-1.0	-42.52	304.75	0.66	-41.86
CC1=CN2C=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC2=N1	REAL300019772456	0	37	-1.0	-50.72	321.21	4.21	-46.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CC2)N=N1	REAL300019772457	0	34	-1.0	-43.61	303.60	0.91	-42.70
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CNC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019772459	0	36	-1.0	-43.12	312.95	1.96	-41.16
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CC(F)(F)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772461	0	34	-1.0	-42.79	298.68	2.93	-39.86
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772462	0	42	-1.0	-57.43	353.79	-0.29	-57.72
COC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1OC(F)F	REAL300019772463	0	42	-1.0	-50.58	365.82	3.23	-47.35
CC1=CC=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Br	REAL300019772464	0	37	-1.0	-47.99	334.00	4.81	-43.18
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COC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300019772467	0	31	-1.0	-42.67	284.62	-3.31	-45.98
CC1=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NC=C1Cl	REAL300019772468	0	36	-1.0	-53.54	326.84	3.19	-50.35
NC1=C(Cl)C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300019772469	0	33	-1.0	-45.91	316.35	2.10	-43.81
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC(F)(F)CC1	REAL300019772470	0	43	-1.0	-47.47	333.80	4.75	-42.72
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772471	0	34	-1.0	-45.73	319.24	1.75	-43.98
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O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019772474	0	34	-1.0	-43.05	323.91	4.56	-38.49
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772475	0	40	-1.0	-56.21	347.68	-0.63	-56.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019772476	0	44	-1.0	-45.81	363.86	6.46	-39.35
CC1=CCC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772477	0	41	-1.0	-43.77	327.01	4.17	-39.60
CCN1C(=O)NC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300019772478	0	41	-1.0	-49.45	352.42	2.87	-46.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019772479	0	42	-1.0	-48.63	357.46	3.53	-45.10
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772480	0	41	-1.0	-41.85	338.68	2.59	-39.26
CC1(C)CCCC(O)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772481	0	44	-1.0	-46.82	337.84	1.70	-45.12
COC(=O)N1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772482	0	42	-1.0	-53.55	346.35	1.95	-51.60
O=C(CCC1=CC=CN=C1Cl)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772483	0	36	-1.0	-48.92	326.70	3.06	-45.86
CN1C(=O)CO[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@H]1C1=CC=CN=C1	REAL300019772484	0	45	-1.0	-47.89	371.11	2.22	-45.67
COC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)OC(C)(C)C	REAL300019772485	0	46	-1.0	-49.44	371.42	3.74	-45.70
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1(C)C	REAL300019772486	0	49	-1.0	-40.10	383.63	5.53	-34.57
CC(C)(C)OC(=O)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC1	REAL300019772487	0	52	-1.0	-47.80	404.70	6.77	-41.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CC=C1F	REAL300019772488	0	30	-1.0	-46.78	274.45	1.43	-45.35
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772489	0	38	-1.0	-51.97	353.38	0.05	-51.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019772490	0	41	-1.0	-47.42	355.19	4.77	-42.65
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COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCC1	REAL300019772492	0	44	-1.0	-45.81	340.51	3.31	-42.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2CCCCCN12	REAL300019772493	0	41	-1.0	-47.15	329.28	3.41	-43.74
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CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772495	0	37	-1.0	-52.15	337.78	-0.63	-52.78
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CC1=CC=CC=C1CC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772497	0	43	-1.0	-42.67	350.19	5.47	-37.20
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC(C(F)F)=C1	REAL300019772498	0	34	-1.0	-44.16	309.86	2.86	-41.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CC3=C(Cl)C=CC=C3C21	REAL300019772499	0	39	-1.0	-42.19	347.93	6.12	-36.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300019772500	0	38	-1.0	-47.94	354.66	5.96	-41.98
CC1=CC=C2OC=C(CC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2=C1	REAL300019772501	0	40	-1.0	-52.75	346.90	4.76	-47.99
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C=C1	REAL300019772502	0	38	-1.0	-46.04	336.26	3.86	-42.18
CCCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1	REAL300019772503	0	43	-1.0	-46.56	371.56	6.23	-40.33
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)N1C1=NN(C)C=C1	REAL300019772504	0	45	-1.0	-50.54	380.60	5.41	-45.13
CC(C)C1=NC=CN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772505	0	40	-1.0	-50.67	339.90	3.63	-47.04
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772505	1	41	0.0	-64.59	338.81	4.20	-60.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH+](C2CCOC2)C1	REAL300019772506	0	42	0.0	-78.00	339.87	1.83	-76.17
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COC1=CC=C([C@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@H](O)C2)C=C1	REAL300019772508	0	46	-1.0	-45.69	379.43	1.28	-44.41
O=C(CN1CSCCSC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772509	0	38	-1.0	-48.95	331.98	1.55	-47.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC[NH+](CCC1)C2	REAL300019772510	0	44	0.0	-69.65	330.31	3.66	-65.99
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CCC(C)(C)C(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772517	0	40	-1.0	-45.99	312.69	1.43	-44.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(C2CC2)O1	REAL300019772518	0	34	-1.0	-49.66	303.66	0.43	-49.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC[NH+](CC1)C2	REAL300019772519	0	38	0.0	-72.24	304.78	1.98	-70.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH+](C2CCOCC2)C1	REAL300019772520	0	45	0.0	-73.56	356.36	2.41	-71.15
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CC(C)(C)OC(=O)NCC(O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772522	0	48	-1.0	-53.29	395.42	-1.19	-54.48
N#CC1=CN(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]C1=O	REAL300019772523	0	37	-2.0	-88.87	344.60	-1.32	-90.19
COC1=CC=C(CN2CCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772524	0	47	-1.0	-48.83	390.98	1.84	-46.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(N2CCOCC2)=NC=N1	REAL300019772525	0	42	-1.0	-44.47	352.37	1.13	-43.34
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O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019772526	1	38	-2.0	-101.43	333.98	1.97	-99.46
CN(CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772527	0	45	-1.0	-47.80	370.44	3.64	-44.16
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772527	1	46	0.0	-73.41	372.29	5.89	-67.52
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772527	1	46	0.0	-72.34	372.02	5.91	-66.43
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772528	0	50	0.0	-70.30	401.32	2.08	-68.22
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772528	1	50	0.0	-71.18	401.34	2.08	-69.10
CC1=NN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)O1	REAL300019772529	0	33	-1.0	-55.98	301.89	-1.43	-57.41
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1CSCCSC1	REAL300019772530	0	41	-1.0	-52.83	346.94	2.03	-50.80
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CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CO1	REAL300019772535	0	37	-1.0	-46.65	316.40	3.21	-43.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2=CC=CC=C2CC1	REAL300019772536	0	44	-1.0	-48.38	350.51	5.93	-42.45
O=C(CC(C1CCC1)C1CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772537	0	47	-1.0	-47.38	362.42	5.92	-41.46
CC1=CC=C(COC(C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772538	0	44	-1.0	-52.07	372.23	5.45	-46.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CCCCCCC21	REAL300019772539	0	44	-1.0	-47.56	331.75	4.80	-42.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=NN=NN2C=C1	REAL300019772540	0	32	-1.0	-50.62	289.44	1.18	-49.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(C2CC2)CC1	REAL300019772541	0	44	-1.0	-47.67	342.69	5.21	-42.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2SC=CC2=NC=N1	REAL300019772542	0	32	-1.0	-42.43	299.61	2.42	-40.01
CCCCCCCCC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772543	0	51	-1.0	-46.60	404.49	6.71	-39.89
CC(C)(C)OC(=O)NC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772544	0	48	-1.0	-48.34	392.12	2.49	-45.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1CN1C=CN=N1	REAL300019772545	0	40	-1.0	-47.22	340.59	3.39	-43.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1CN1C=CN=N1	REAL300019772546	0	40	-1.0	-47.22	340.59	3.39	-43.83
CN1CCC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300019772547	0	38	-1.0	-43.80	318.95	1.12	-42.68
CN1CC(O)CC1(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772548	0	40	-1.0	-45.57	315.59	-2.24	-47.81
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772548	1	41	0.0	-76.45	319.92	-0.35	-76.80
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772548	1	41	0.0	-75.70	319.63	-0.40	-76.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2CCCC[N@@H+]21	REAL300019772549	0	44	0.0	-66.38	333.62	3.96	-62.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2CCCC[N@H+]21	REAL300019772549	1	44	0.0	-66.38	333.86	3.95	-62.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1	REAL300019772550	0	42	-1.0	-55.14	373.68	3.81	-51.33
COC1=CC=C(CNC(=O)C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772551	0	46	-1.0	-48.27	400.06	2.04	-46.23
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CS1	REAL300019772552	0	36	-1.0	-51.50	317.89	2.04	-49.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300019772553	0	39	-1.0	-45.95	347.07	4.22	-41.73
CCCC(OCC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772554	0	40	-1.0	-49.72	331.33	3.18	-46.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300019772555	0	35	-1.0	-41.22	334.60	3.42	-37.80
COC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Br	REAL300019772556	0	35	-1.0	-43.40	322.56	3.02	-40.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CC3=CC=CC=C3C21	REAL300019772557	0	39	-1.0	-42.54	331.80	5.61	-36.93
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1OC(F)(F)F	REAL300019772558	0	38	-1.0	-41.87	338.63	3.60	-38.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1COC2=CC(F)=CC=C2C1	REAL300019772559	0	39	-1.0	-46.44	333.83	3.66	-42.78
CCOC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300019772560	0	38	-1.0	-50.52	318.33	3.19	-47.33
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(S(C)(=O)=O)O1	REAL300019772561	0	37	-1.0	-53.73	337.63	-0.55	-54.28
CC1=CC=CC=C1COC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772562	0	44	-1.0	-52.91	367.48	5.47	-47.44
CSC1=CC(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772563	0	35	-1.0	-44.06	318.31	2.92	-41.14
O=C(C=CC1=CC=CS1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772564	0	32	-1.0	-43.04	297.44	3.35	-39.69
COC(=O)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2(CCC2)C1	REAL300019772565	0	44	-1.0	-41.88	361.04	4.58	-37.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300019772566	0	40	-1.0	-47.13	333.33	3.92	-43.21
CC(C)C1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772567	0	40	-1.0	-43.82	332.87	4.96	-38.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(C(F)(F)F)=C1	REAL300019772568	0	31	-1.0	-44.39	304.56	3.17	-41.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019772569	0	44	-1.0	-44.58	356.98	6.07	-38.51
COCCCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772570	0	41	-1.0	-49.98	354.72	1.51	-48.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CC2)N=C1	REAL300019772571	0	35	-1.0	-45.01	307.37	2.34	-42.67
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1C1CCOCC1	REAL300019772572	0	45	-1.0	-46.20	372.24	2.38	-43.82
CN1C=C(N2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2=O)C=N1	REAL300019772573	0	42	-1.0	-52.72	358.40	1.82	-50.90
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC=C1	REAL300019772574	0	39	-1.0	-44.74	327.47	3.24	-41.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C=CSC2=CN=C1	REAL300019772575	0	33	-1.0	-43.95	300.87	2.58	-41.37
O=C(CC1=CSC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772576	0	30	-1.0	-52.50	281.07	0.91	-51.59
CCOC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOCC1	REAL300019772577	0	42	-1.0	-43.71	330.57	0.62	-43.09
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772578	0	38	-1.0	-48.39	355.68	5.18	-43.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019772579	0	40	-1.0	-49.89	350.31	3.47	-46.42
CC1=CC=CC=C1COCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772580	0	41	-1.0	-53.38	348.25	4.73	-48.65
CC1=CC=CC(COCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772581	0	41	-1.0	-48.38	353.20	4.70	-43.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2SC=CC2=CC=N1	REAL300019772582	0	33	-1.0	-45.35	304.46	2.70	-42.65
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019772583	0	40	-1.0	-61.08	329.62	1.91	-59.17
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772584	0	37	-2.0	-84.87	341.54	-0.84	-85.71
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772584	1	38	-1.0	-51.19	341.62	-0.69	-51.88
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772585	0	34	-1.0	-60.99	312.40	2.00	-58.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=CC(=O)NC=C21	REAL300019772586	0	37	-1.0	-52.03	320.15	2.26	-49.77
CC1=CN2C=CN=C2C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772587	0	37	-1.0	-47.62	319.66	4.84	-42.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(SC(F)(F)F)N=C1	REAL300019772588	0	34	-1.0	-42.92	327.55	3.30	-39.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC(N2CCOCC2)=N1	REAL300019772589	0	42	-1.0	-44.76	353.74	1.49	-43.27
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772590	0	48	-1.0	-55.74	389.71	1.76	-53.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2(CC2)C1	REAL300019772591	0	41	-1.0	-46.51	330.10	4.61	-41.90
CCCN1N=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772592	0	37	-1.0	-45.95	316.15	2.42	-43.53
CC1=CC=C(COCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772593	0	41	-1.0	-48.34	353.20	4.71	-43.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C(F)F)=CC=C1F	REAL300019772594	0	34	-1.0	-46.72	309.38	4.00	-42.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019772595	0	45	-1.0	-49.51	370.76	3.91	-45.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019772596	0	38	-1.0	-51.71	340.42	4.16	-47.55
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019772597	0	33	-1.0	-44.41	319.63	3.07	-41.34
COC1=CC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(OC)=C1O	REAL300019772598	0	46	-1.0	-50.90	388.47	1.54	-49.36
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772599	0	41	-1.0	-45.76	354.71	2.99	-42.77
COC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300019772600	0	38	-1.0	-49.12	316.53	3.13	-45.99
CCC1=CNC(=O)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772601	0	37	-1.0	-53.47	317.78	1.69	-51.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(O)CC1=CC=CC=C1	REAL300019772602	0	38	-1.0	-48.39	328.42	2.36	-46.03
CN1N=CC(Cl)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772603	0	31	-1.0	-45.06	295.38	1.23	-43.83
CC1=CC(F)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019772604	0	34	-1.0	-45.48	310.63	3.69	-41.79
CC1=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C)=C1	REAL300019772605	0	40	-1.0	-45.31	340.13	5.06	-40.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019772606	0	41	-1.0	-43.56	365.35	3.51	-40.05
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(N2CCCC2)=C1	REAL300019772607	0	43	-1.0	-45.22	350.96	3.54	-41.68
CCOC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL300019772608	0	38	-1.0	-43.12	313.23	2.12	-41.00
COC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1OC(C)C	REAL300019772609	0	45	-1.0	-47.45	366.59	4.89	-42.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019772610	0	41	-1.0	-46.32	366.13	3.41	-42.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019772611	0	42	-1.0	-49.34	357.40	3.52	-45.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019772612	0	42	-1.0	-47.89	359.15	3.57	-44.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2CC(=O)NC2=NC=C1	REAL300019772613	0	35	-1.0	-47.11	308.36	0.72	-46.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019772614	0	37	-1.0	-51.33	340.41	4.58	-46.75
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772615	0	38	-1.0	-43.56	347.41	3.27	-40.29
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772616	0	47	-1.0	-47.07	383.59	6.56	-40.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019772617	0	31	-1.0	-44.85	304.57	3.44	-41.41
CCN1N=CC(Cl)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772618	0	34	-1.0	-45.41	317.19	2.10	-43.31
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772619	0	37	-1.0	-41.07	331.70	2.47	-38.60
COC(=O)C1=CN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1	REAL300019772620	0	37	-1.0	-58.12	334.57	1.86	-56.26
C[C@@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)NC(=O)OC(C)(C)C	REAL300019772621	0	47	-1.0	-55.87	383.44	1.78	-54.09
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772622	0	49	-1.0	-45.97	399.43	2.50	-43.47
CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2=CC=CO2)=N1	REAL300019772623	0	38	-1.0	-57.31	336.66	3.49	-53.82
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772624	0	36	-1.0	-46.52	330.04	-0.67	-47.19
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL300019772625	0	38	-1.0	-48.48	315.96	2.97	-45.51
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC(S(N)(=O)=O)=C1	REAL300019772626	0	36	-1.0	-48.98	331.41	-3.25	-52.23
CSC1=CC=C(O)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772627	0	36	-1.0	-44.75	321.66	2.50	-42.25
CSC1=CC=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772627	1	35	-2.0	-95.28	318.10	3.50	-91.78
CCCCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL300019772628	0	45	-1.0	-46.55	349.41	4.99	-41.56
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772629	0	49	-1.0	-51.69	392.58	4.00	-47.69
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772630	0	41	-1.0	-58.10	358.31	4.30	-53.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019772631	0	50	-1.0	-47.39	370.95	7.32	-40.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019772632	0	35	-1.0	-43.32	320.84	1.48	-41.84
CC1=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)N1C1=CC=CC=C1	REAL300019772633	0	48	-1.0	-48.04	403.79	7.72	-40.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CC2)CC1	REAL300019772634	0	41	-1.0	-42.61	329.63	4.59	-38.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2=CC(F)=CC=C21	REAL300019772635	0	38	-1.0	-47.92	325.48	4.87	-43.05
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C	REAL300019772636	0	44	-1.0	-43.93	363.64	6.29	-37.64
CCOCCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772637	0	41	-1.0	-47.87	355.08	1.69	-46.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(F)(F)F)SC=C1	REAL300019772638	0	31	-1.0	-47.15	297.79	3.16	-43.99
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772639	0	45	-1.0	-46.14	369.04	2.43	-43.71
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772640	0	50	-1.0	-49.70	398.78	-0.09	-49.79
CN1N=C(Cl)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300019772641	0	31	-1.0	-43.19	312.59	1.54	-41.65
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC1CC1=CC=CC=C1	REAL300019772642	0	47	-1.0	-49.72	380.80	6.85	-42.87
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019772643	0	44	-1.0	-43.92	376.34	5.41	-38.51
CN1C=C(Cl)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019772644	0	31	-1.0	-46.33	293.69	1.38	-44.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCCC2)CCNC1=O	REAL300019772645	0	45	-1.0	-51.08	346.73	1.17	-49.91
CCOC1=CC=CC(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772646	0	42	-1.0	-45.91	358.81	4.47	-41.44
COC1=CC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772647	0	39	-1.0	-45.11	336.62	3.56	-41.55
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772648	0	34	-1.0	-50.68	320.19	4.29	-46.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(Cl)SC=C1	REAL300019772649	0	28	-1.0	-48.85	277.73	2.59	-46.26
CC1(C)CC1(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300019772650	0	44	-1.0	-45.13	356.60	5.88	-39.25
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772651	0	38	-1.0	-45.52	349.78	3.94	-41.58
CC(=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CS1	REAL300019772652	0	35	-1.0	-44.98	315.87	4.12	-40.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC=C1C(F)(F)F	REAL300019772653	0	31	-1.0	-48.26	297.20	3.06	-45.20
CCCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C=C1	REAL300019772654	0	43	-1.0	-44.02	371.56	6.24	-37.78
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772655	0	48	-1.0	-45.87	395.37	2.80	-43.07
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772656	0	41	-1.0	-48.57	348.93	1.87	-46.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019772657	0	37	-1.0	-57.91	329.93	-0.42	-58.33
CN1C=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300019772658	0	36	-1.0	-48.94	315.50	1.02	-47.92
CCOCCOCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772659	0	44	-1.0	-52.60	370.08	1.78	-50.82
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772660	0	39	-1.0	-46.84	351.30	2.11	-44.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019772661	0	40	-1.0	-50.76	361.59	3.42	-47.34
COC1=CC=CC(C(OC)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772662	0	42	-1.0	-49.71	359.24	3.10	-46.61
COCCOCCOCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772663	0	48	-1.0	-53.90	403.71	1.14	-52.76
COC1=CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1OC	REAL300019772664	0	45	-1.0	-47.08	377.13	4.56	-42.52
CSC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)O1	REAL300019772665	0	35	-1.0	-44.75	318.78	3.06	-41.69
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772666	0	43	-1.0	-65.95	347.83	1.85	-64.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=NO1	REAL300019772667	0	27	-1.0	-39.11	268.47	0.91	-38.20
CN1C(=O)NCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772668	0	34	-1.0	-52.77	292.91	-1.47	-54.24
CCC(C)(C)C(=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772669	0	38	-1.0	-40.48	308.79	2.30	-38.18
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019772670	0	44	-2.0	-103.24	382.43	3.99	-99.25
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772671	0	38	-1.0	-60.13	333.96	-0.82	-60.95
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(N2C=CC=C2)S1	REAL300019772672	0	39	-1.0	-50.13	347.13	5.95	-44.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019772673	0	37	-2.0	-104.67	330.48	2.75	-101.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019772673	1	37	-2.0	-104.55	330.50	2.78	-101.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019772674	0	34	-2.0	-75.82	315.90	-0.29	-76.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019772674	1	34	-2.0	-75.85	315.84	-0.31	-76.16
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772675	0	43	-1.0	-55.91	382.69	2.68	-53.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC=C1C(F)(F)F	REAL300019772676	0	31	-1.0	-51.40	292.12	0.58	-50.82
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772677	0	37	-1.0	-54.80	324.66	3.40	-51.40
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772678	0	37	-2.0	-94.65	331.61	-1.76	-96.41
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)=N1	REAL300019772679	0	43	-1.0	-47.99	365.73	4.07	-43.92
CC1=NOC(C2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)=C1	REAL300019772680	0	37	-1.0	-46.76	322.75	3.32	-43.44
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772681	0	45	-1.0	-47.04	369.31	2.79	-44.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2CCC[N@@H+]21	REAL300019772682	0	44	0.0	-64.59	329.78	4.02	-60.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2CCC[N@H+]21	REAL300019772682	1	44	0.0	-65.20	329.17	3.97	-61.23
CC1CN(C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772683	0	40	-1.0	-49.17	329.09	0.15	-49.02
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772683	1	41	0.0	-78.67	324.52	2.13	-76.54
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772683	1	41	0.0	-83.48	331.42	2.57	-80.91
CN1C=NC2=CN=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C21	REAL300019772684	0	36	-1.0	-44.59	307.90	2.57	-42.02
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772685	0	43	0.0	-70.91	336.45	3.82	-67.09
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772685	1	43	0.0	-68.94	334.55	3.50	-65.44
O=C(C=CCN1C=NC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772686	0	34	-1.0	-55.01	307.88	3.78	-51.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCN1C1=NC=CC=N1	REAL300019772687	0	41	-1.0	-45.12	336.66	1.62	-43.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019772688	0	35	-1.0	-55.51	306.80	2.68	-52.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1=CN=CN1	REAL300019772688	1	35	-1.0	-46.16	307.54	2.67	-43.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019772689	0	40	-1.0	-48.58	344.06	4.21	-44.37
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772690	0	39	-1.0	-46.89	342.21	-0.88	-47.77
CC(C)N1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2CCOCC2)=N1	REAL300019772691	0	51	-1.0	-46.86	410.03	3.60	-43.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(CCO)N=C1C1CCOCC1	REAL300019772692	0	49	-1.0	-48.05	402.80	-0.27	-48.32
CC(=O)NC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=N1	REAL300019772693	0	37	-1.0	-49.67	325.45	1.63	-48.04
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772694	0	51	-1.0	-46.26	398.57	5.65	-40.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300019772695	0	40	-1.0	-48.71	351.23	6.14	-42.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=C2C(F)=CC=CN21	REAL300019772696	0	34	-1.0	-43.25	306.43	3.64	-39.61
O=C(C=CC=C(Cl)Cl)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772697	0	29	-1.0	-47.92	294.00	3.01	-44.91
CC1=C(CO)C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772698	0	35	-1.0	-46.04	310.44	-0.74	-46.78
CN1CCCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300019772699	0	41	-1.0	-40.74	319.46	2.58	-38.16
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300019772700	0	39	-1.0	-52.24	349.25	2.96	-49.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCCC2O)NC1=O	REAL300019772701	0	42	-1.0	-51.83	345.56	-0.48	-52.31
NC1=C2N=CN(CCC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2=NC=N1	REAL300019772702	0	40	-1.0	-48.53	350.81	3.10	-45.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300019772703	0	36	-1.0	-44.94	333.79	-0.45	-45.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNN=C1I	REAL300019772704	0	28	-1.0	-48.33	279.51	0.40	-47.93
C[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC(C)(C)C	REAL300019772705	0	45	0.0	-68.37	341.20	3.88	-64.49
C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC(C)(C)C	REAL300019772705	1	45	0.0	-70.13	342.43	4.02	-66.11
CN(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC(C)(C)C	REAL300019772705	1	44	-1.0	-47.54	344.10	2.27	-45.27
CN1C=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC1=O	REAL300019772706	0	33	-1.0	-54.75	295.49	1.64	-53.11
O=C(CC=CCC1=CC=CC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772707	0	41	-1.0	-49.40	353.16	5.94	-43.46
CC1=CC=C(NC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=CS2)C=C1	REAL300019772708	0	42	-1.0	-43.64	369.58	3.61	-40.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=NC=C2)CCC1	REAL300019772709	0	40	-1.0	-47.68	329.86	3.68	-44.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC(C2=CN=CC=N2)=NO1	REAL300019772710	0	34	-1.0	-45.95	317.63	-2.12	-48.07
CN1CCOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300019772711	0	36	-1.0	-47.81	305.68	0.28	-47.53
C#CCN(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)OC(C)(C)C	REAL300019772712	0	46	-1.0	-55.99	386.75	4.23	-51.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC=N2)CC1	REAL300019772713	0	37	-1.0	-45.14	323.18	3.26	-41.88
O=C(CC1CCCS1(=O)=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772714	0	37	-1.0	-61.74	318.83	0.14	-61.60
CC1=CC=C(C(=O)C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772715	0	40	-1.0	-43.49	351.09	4.84	-38.65
CC1=CN(C(C)(C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772716	0	40	-1.0	-53.79	334.01	3.89	-49.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2NC=NC2=C1F	REAL300019772717	0	34	-1.0	-56.73	302.86	2.78	-53.95
NC1=NN=NN1C1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772718	0	38	-1.0	-55.38	333.77	2.96	-52.42
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772719	0	40	0.0	-78.50	326.85	3.33	-75.17
CC1=NN=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772720	0	35	-1.0	-47.50	310.82	-2.53	-50.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN=C(C2CC2)O1	REAL300019772721	0	33	-1.0	-41.54	299.92	-2.20	-43.74
CC1=CC=CC=C1NC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CS1	REAL300019772722	0	42	-1.0	-44.03	365.34	3.60	-40.43
CCN1C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN=C1Br	REAL300019772723	0	34	-1.0	-42.20	315.47	2.82	-39.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C(F)(F)F)=CNC1=O	REAL300019772724	0	34	-1.0	-52.01	313.91	1.27	-50.74
O=C(NC(CO)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)OCC1=CC=CC=C1	REAL300019772725	0	46	-1.0	-50.56	399.60	-0.59	-51.15
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN2N=NN=C12	REAL300019772726	0	32	-1.0	-49.96	288.91	1.50	-48.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=CNC1=O	REAL300019772727	0	31	-1.0	-49.51	281.62	0.36	-49.15
C#CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772728	0	33	-1.0	-44.20	300.16	4.24	-39.96
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C#N)C=C1	REAL300019772729	0	41	-1.0	-50.19	348.95	5.03	-45.16
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOC1	REAL300019772730	0	33	-1.0	-45.90	290.25	0.16	-45.74
CC(=CC1=CC=C(Br)O1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772731	0	35	-1.0	-42.04	323.59	3.99	-38.05
O=CC1=CC=C(F)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772732	0	33	-1.0	-49.49	300.46	2.86	-46.63
O=CC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772733	0	36	-1.0	-50.10	320.59	3.47	-46.63
O=CC1=CNC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C12	REAL300019772734	0	37	-1.0	-52.63	326.22	2.85	-49.78
O=CC1=CC(Br)=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772735	0	33	-1.0	-43.65	317.21	3.39	-40.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019772736	0	38	-1.0	-45.37	330.68	-2.05	-47.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019772737	0	42	-1.0	-48.68	342.28	3.32	-45.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(F)F)N=C2CCCCN21	REAL300019772738	0	41	-1.0	-52.82	343.71	4.12	-48.70
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC=N1	REAL300019772739	0	35	-1.0	-47.51	302.65	0.45	-47.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2SC=CC2=C1	REAL300019772740	0	33	-1.0	-44.09	304.63	2.52	-41.57
O=C(CC(F)(F)C(F)(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772741	0	30	-1.0	-50.02	287.49	2.04	-47.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(Cl)N=CC=C2O1	REAL300019772742	0	33	-1.0	-42.57	315.55	2.13	-40.44
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772743	0	45	-1.0	-54.53	387.54	2.13	-52.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC(C(F)(F)F)=N1	REAL300019772744	0	30	-1.0	-40.51	293.24	-1.18	-41.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)C=NC=C1F	REAL300019772745	0	30	-1.0	-43.09	284.28	1.26	-41.83
COC1=CC=C(C=O)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772746	0	37	-1.0	-49.42	323.42	3.25	-46.17
O=CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300019772747	0	33	-1.0	-48.58	301.40	2.84	-45.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSN=C1Cl	REAL300019772748	0	27	-1.0	-46.23	272.13	1.12	-45.11
CS(=O)(=O)N1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772749	0	36	-1.0	-49.43	323.84	-1.98	-51.41
O=C(CCOC1COC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772750	0	36	-1.0	-47.19	310.91	-0.64	-47.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300019772751	0	44	-1.0	-43.23	381.17	4.60	-38.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC=C1Cl	REAL300019772752	0	28	-1.0	-45.75	278.02	2.49	-43.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019772753	0	42	-1.0	-44.97	342.48	3.01	-41.96
CC1=NC(C2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)S2)=CS1	REAL300019772754	0	37	-1.0	-43.79	352.96	3.60	-40.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019772755	0	45	-1.0	-48.67	375.67	5.74	-42.93
CCC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)(C)C	REAL300019772756	0	45	-1.0	-47.09	338.44	4.08	-43.01
CCC1=CC=C(F)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772757	0	37	-1.0	-41.56	313.70	4.53	-37.03
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772758	0	43	-1.0	-52.29	363.63	-0.31	-52.60
COCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CS1	REAL300019772759	0	35	-1.0	-48.48	314.60	1.82	-46.66
CN1C=CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300019772760	0	38	-1.0	-46.02	326.35	4.80	-41.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019772761	0	43	-1.0	-48.61	363.13	5.07	-43.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCCCO2)CCC1	REAL300019772762	0	45	-1.0	-46.32	355.22	3.68	-42.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019772763	0	43	-1.0	-49.41	367.33	5.98	-43.43
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019772764	0	42	-1.0	-59.83	363.85	4.58	-55.25
COC1=CC=C(F)C(OC)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772765	0	39	-1.0	-47.59	343.73	1.89	-45.70
COC1=CC=NC(OC)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772766	0	38	-1.0	-48.21	332.96	-0.96	-49.17
COC(=O)C1=NN(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772767	0	37	-1.0	-45.86	329.62	1.35	-44.51
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[C@H]1C	REAL300019772768	0	41	-1.0	-55.56	349.80	3.13	-52.43
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772769	0	32	-1.0	-42.46	314.45	3.98	-38.48
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772770	0	39	-1.0	-47.07	352.34	4.10	-42.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2CCOCC2)C=C1	REAL300019772771	0	42	-1.0	-44.16	350.71	1.69	-42.47
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)OC2=O	REAL300019772772	0	44	-1.0	-44.97	350.89	3.60	-41.37
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C2=CC=CC=C2)O1	REAL300019772773	0	41	-1.0	-46.36	354.02	5.59	-40.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CNC(=O)C2=CC=CC=C21	REAL300019772774	0	39	-1.0	-54.14	332.70	1.41	-52.73
O=C(CC1CCC(F)(F)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772775	0	40	-1.0	-44.93	328.26	4.15	-40.78
CC1=CN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1C(F)(F)F	REAL300019772776	0	37	-1.0	-60.28	339.41	2.77	-57.51
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772777	0	41	-1.0	-43.88	346.63	5.75	-38.13
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C(F)F)O1	REAL300019772778	0	31	-1.0	-42.33	291.51	2.15	-40.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(F)F)N=CO1	REAL300019772779	0	30	-1.0	-46.41	281.24	-1.35	-47.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C#CCO)=C1	REAL300019772780	0	37	-1.0	-50.30	333.16	1.87	-48.43
O=C(CN1CCOC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772781	0	33	-1.0	-59.78	292.82	0.55	-59.23
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772782	0	45	-1.0	-49.54	372.72	-2.54	-52.08
O=C(CCCN1C=NC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772783	0	36	-1.0	-54.10	315.95	3.95	-50.15
CC1=C(C=O)C(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL300019772784	0	37	-1.0	-48.21	318.78	1.85	-46.36
O=C(CN1CCNC(=O)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772785	0	37	-1.0	-53.94	309.60	-2.85	-56.79
CCCC=CC(O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772786	0	38	-1.0	-46.46	323.20	1.64	-44.82
COC1=CC(CO)=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772787	0	39	-1.0	-53.28	332.83	0.82	-52.46
O=C(CC1CCN(CC(F)F)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772788	0	45	-1.0	-51.59	355.35	2.06	-49.53
COC1=CC(OC)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C=O	REAL300019772789	0	41	-1.0	-48.77	351.29	2.67	-46.10
NC1=C2N=CN(CCCC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2=NC=N1	REAL300019772790	0	43	-1.0	-55.47	372.31	3.90	-51.57
NC1=C2N=CN(CCCCC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2=NC=N1	REAL300019772791	0	46	-1.0	-50.88	393.80	4.68	-46.20
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+]1CCCCC1	REAL300019772792	0	46	0.0	-68.67	342.38	4.35	-64.32
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1CCCCC1	REAL300019772792	1	45	-1.0	-44.36	342.90	2.45	-41.91
O=C(CC(O)COCC1=CC=CC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772793	0	45	-1.0	-56.19	384.37	2.35	-53.84
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=NN1	REAL300019772794	0	31	-1.0	-44.42	295.11	0.42	-44.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300019772795	0	42	-1.0	-48.76	361.83	3.96	-44.80
CC1=NC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772796	0	33	-1.0	-54.06	295.00	-0.67	-54.73
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772797	0	51	-1.0	-45.94	404.64	3.91	-42.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL300019772798	0	37	-1.0	-48.14	340.47	4.43	-43.71
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772799	0	41	-1.0	-58.96	353.20	1.38	-57.58
CC1CCC2=NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN2C1	REAL300019772800	0	41	-1.0	-44.69	340.85	3.81	-40.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1C1=CC=NC=C1	REAL300019772801	0	40	-1.0	-46.91	342.25	4.87	-42.04
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772802	0	45	-1.0	-45.80	381.65	7.65	-38.15
CC1=NC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019772803	0	34	-1.0	-47.89	314.47	2.25	-45.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC(N2CCCC2=O)=C1	REAL300019772804	0	41	-1.0	-58.78	345.60	2.37	-56.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC2=CC=NN21	REAL300019772805	0	33	-1.0	-44.10	292.99	2.29	-41.81
NC(=O)C1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772806	0	37	-1.0	-55.04	329.39	-1.22	-56.26
O=CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019772807	0	30	-1.0	-44.46	289.42	1.92	-42.54
C[NH+]1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772808	0	40	0.0	-75.20	317.51	3.12	-72.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CN=C1Cl	REAL300019772809	0	29	-1.0	-45.54	277.36	-0.07	-45.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC2=CC=NN2C=C1	REAL300019772810	0	33	-1.0	-43.28	297.57	2.03	-41.25
CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N(C)C1=O	REAL300019772811	0	35	-1.0	-55.42	304.84	1.81	-53.61
CC1=C(C)C(=O)N(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300019772812	0	41	-1.0	-47.75	360.23	2.36	-45.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CSCC(C1)C2=O	REAL300019772813	0	41	-1.0	-50.31	333.22	3.26	-47.05
CCOC(=O)C1CCCN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772814	0	48	-1.0	-53.04	389.79	2.71	-50.33
CCC(C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CC=C1C=O	REAL300019772815	0	46	-1.0	-50.89	366.25	4.46	-46.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019772816	0	51	0.0	-76.52	384.67	3.73	-72.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(N2CCOCC2)CC1	REAL300019772816	1	50	-1.0	-45.92	375.57	1.36	-44.56
CC1=C(C(F)(F)F)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300019772817	0	34	-1.0	-46.44	307.67	1.02	-45.42
O=CC1=CC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019772818	0	37	-1.0	-49.13	330.35	3.97	-45.16
O=CC1=CC(F)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019772819	0	33	-1.0	-46.69	305.91	2.92	-43.77
CN1CCOC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300019772820	0	41	-1.0	-45.09	337.71	1.64	-43.45
CC1CCN2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=C2C1	REAL300019772821	0	41	-1.0	-47.52	340.87	3.84	-43.68
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772822	0	47	0.0	-67.73	353.87	2.54	-65.19
CC(C)(CN1CCOCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772822	1	46	-1.0	-48.29	353.22	0.98	-47.31
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772823	0	45	0.0	-65.51	342.98	1.59	-63.92
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772823	1	45	0.0	-67.34	341.69	1.01	-66.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CC2F)C1	REAL300019775202	0	35	-1.0	-44.05	302.75	3.49	-40.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN2CC(F)CC2=C1	REAL300019775203	0	35	-1.0	-48.25	308.62	1.77	-46.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCN(CCC1)S2(=O)=O	REAL300019775204	0	40	-1.0	-52.35	330.59	-0.72	-53.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300019775205	0	40	-1.0	-52.13	351.75	2.85	-49.28
CC1=CC=CC(C2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2(F)F)=C1	REAL300019775206	0	41	-1.0	-48.26	357.45	5.83	-42.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2CC2)ON=C1Br	REAL300019775207	0	34	-1.0	-41.29	327.77	3.35	-37.94
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2C=CC1C2	REAL300019775208	0	37	-1.0	-42.07	313.50	3.46	-38.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(N1)C(Br)=CO2	REAL300019775209	0	32	-1.0	-43.46	308.58	1.70	-41.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C([N-]1)C(Br)=CO2	REAL300019775209	1	31	-2.0	-79.97	306.31	1.23	-78.74
CC1=CC2=C(C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N2)O1	REAL300019775210	0	35	-1.0	-45.31	308.78	1.90	-43.41
CC(C)C1=CNC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=NC2=C1	REAL300019775211	0	43	-1.0	-55.45	362.58	3.10	-52.35
C=CCN(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)OC(C)(C)C	REAL300019775213	0	51	-1.0	-50.07	415.22	4.56	-45.51
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CC2=CC=CC=C21	REAL300019775214	0	40	-1.0	-43.94	331.09	5.89	-38.05
COC1=CC=CC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019775215	0	40	-1.0	-44.84	345.39	1.28	-43.56
CN1N=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=C1CCOC2	REAL300019775216	0	39	-1.0	-46.81	330.15	0.82	-45.99
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019775217	0	40	-1.0	-44.60	334.86	4.94	-39.66
COC1=CC(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019775218	0	37	-1.0	-45.73	315.93	0.49	-45.24
CC1=CC=C(C2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CCC(=O)CC2)C=C1	REAL300019775219	0	49	-1.0	-49.46	385.57	6.39	-43.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCOCC2)CC1(F)F	REAL300019775220	0	42	-1.0	-47.03	342.89	3.21	-43.82
CN1C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC2=C1C=CS2	REAL300019775221	0	35	-1.0	-46.43	314.83	3.69	-42.74
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1CC(F)F	REAL300019775222	0	37	-1.0	-49.11	328.51	2.42	-46.69
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1C1CCC1	REAL300019775223	0	41	-1.0	-44.47	341.33	3.52	-40.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2CCCCC2=CN1	REAL300019775224	0	39	-1.0	-45.27	320.54	3.34	-41.93
COCCOCC=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775225	0	39	-1.0	-47.80	339.96	0.62	-47.18
O=C(C=CC1CCCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775226	0	36	-1.0	-45.02	307.43	1.62	-43.40
COC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CN(C(=O)OC(C)(C)C)C1	REAL300019775227	0	49	-1.0	-46.84	400.37	1.03	-45.81
CC[C@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL300019775228	0	42	-1.0	-46.71	320.55	3.67	-43.04
CC1=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC=C1	REAL300019775229	0	34	-1.0	-44.59	306.69	3.43	-41.16
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=NC=N1	REAL300019775230	0	36	-1.0	-49.47	308.30	3.56	-45.91
CC1=NN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=C1C	REAL300019775231	0	40	-1.0	-49.84	338.85	2.77	-47.07
C#CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOC1	REAL300019775232	0	37	-1.0	-42.44	309.30	1.98	-40.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300019775233	0	34	-1.0	-54.86	314.84	4.48	-50.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019775234	0	38	-1.0	-49.43	347.57	5.50	-43.93
CC(=O)C1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300019775235	0	32	-1.0	-48.01	304.77	0.64	-47.37
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775236	0	35	-1.0	-44.98	332.77	-0.85	-45.83
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019775237	0	38	-1.0	-61.55	333.21	2.04	-59.51
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775238	0	34	-1.0	-51.72	319.22	2.94	-48.78
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300019775239	0	44	-1.0	-62.86	373.81	2.32	-60.54
CC1=C2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)SC2=C(C)S1	REAL300019775240	0	37	-1.0	-45.90	346.82	5.01	-40.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2N=CC=C2C=C1	REAL300019775241	0	34	-1.0	-47.22	300.08	2.82	-44.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2=NN=CN21	REAL300019775242	0	37	-1.0	-48.20	306.78	3.84	-44.36
CC1(C)CCCC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019775243	0	44	-1.0	-46.20	346.16	3.74	-42.46
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN=C1	REAL300019775244	0	37	-1.0	-53.92	324.84	1.99	-51.93
CCN1C(=O)CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775245	0	38	-1.0	-56.21	316.06	2.10	-54.11
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300019775246	0	43	-1.0	-47.01	346.84	-0.23	-47.24
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775247	0	38	-1.0	-50.18	336.98	5.29	-44.89
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)=C2	REAL300019775248	0	45	-1.0	-49.09	375.58	4.91	-44.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019775249	0	39	-1.0	-50.75	338.68	3.89	-46.86
COC1=CC2=NC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2C=C1	REAL300019775250	0	40	-1.0	-46.03	338.60	2.74	-43.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC2=C1CCC2	REAL300019775251	0	37	-1.0	-47.53	310.84	3.12	-44.41
CCSC1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019775252	0	44	-1.0	-50.99	354.98	5.07	-45.92
CC1=CC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C)=N1	REAL300019775253	0	42	-1.0	-45.24	356.83	4.00	-41.24
CC1=CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300019775254	0	40	-1.0	-44.37	340.10	5.98	-38.39
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775255	0	37	-1.0	-51.01	323.35	1.33	-49.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(Cl)=C1Cl	REAL300019775256	0	28	-1.0	-50.01	294.32	3.09	-46.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019775257	0	43	-1.0	-52.26	364.81	2.49	-49.77
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775258	0	41	-1.0	-50.43	341.14	3.40	-47.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019775259	0	38	-1.0	-45.70	340.07	4.29	-41.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC=C1Br	REAL300019775260	0	29	-1.0	-50.25	279.42	1.56	-48.69
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775261	0	41	-1.0	-60.13	370.80	2.68	-57.45
CCC1=C(C)SC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775262	0	37	-1.0	-43.22	321.35	4.10	-39.12
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(OC(F)(F)F)C1	REAL300019775263	0	35	-1.0	-45.35	316.28	1.59	-43.76
CS(=O)(=O)C1=COC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019775264	0	34	-1.0	-54.29	319.97	-1.48	-55.77
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775265	0	42	-1.0	-47.29	351.03	3.82	-43.47
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775266	0	42	-1.0	-47.25	351.03	3.82	-43.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300019775267	0	40	-1.0	-46.75	348.75	4.73	-42.02
CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Br	REAL300019775268	0	33	-1.0	-40.41	309.62	2.45	-37.96
COC1=CC(Br)=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775269	0	34	-1.0	-43.38	318.72	2.39	-40.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019775270	0	40	-1.0	-54.00	355.89	0.71	-53.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC(=O)CC1	REAL300019775271	0	37	-1.0	-51.18	306.20	2.48	-48.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2SCCC(=O)C2=C1	REAL300019775272	0	38	-1.0	-49.63	337.11	4.35	-45.28
CCN1N=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300019775273	0	36	-1.0	-45.54	312.16	0.77	-44.77
CCC1=CC=C(N2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=N2)C=C1	REAL300019775274	0	43	-1.0	-42.98	372.86	4.20	-38.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019775275	0	37	-1.0	-51.60	340.10	2.12	-49.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C(=O)NC(=S)NC2=C1	REAL300019775275	1	37	-1.0	-51.60	340.10	2.12	-49.48
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN(C)C1=O	REAL300019775276	0	37	-1.0	-46.53	318.47	2.52	-44.01
O=C(CC1CCCC(F)(F)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775277	0	40	-1.0	-53.43	328.54	4.12	-49.31
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775278	0	52	-1.0	-48.14	407.81	7.65	-40.49
CC1=NN=NN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775279	0	32	-1.0	-61.06	288.44	0.15	-60.91
O=C(CC1CC(C(F)F)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775280	0	37	-1.0	-47.10	317.19	3.65	-43.45
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CC1(C)OCC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019775317	0	42	-1.0	-44.49	348.61	1.94	-42.55
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CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775321	0	49	-1.0	-45.61	391.03	7.35	-38.26
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CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C(F)=C1	REAL300019775334	0	40	-1.0	-47.64	345.13	5.08	-42.56
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CC(C)(C)N1C=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019775336	0	43	-1.0	-49.20	360.07	3.55	-45.65
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CC1=CC=C(C2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)C(F)=C1	REAL300019775338	0	41	-1.0	-49.96	352.25	5.66	-44.30
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CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(C2=NNC=N2)=N1	REAL300019775341	0	39	-1.0	-48.35	355.32	2.39	-45.96
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CC1=NNC2=C1CC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)CC2	REAL300019775344	0	41	-1.0	-49.37	336.76	2.37	-47.00
CC1=C2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CCC2=NN1	REAL300019775344	1	41	-1.0	-49.37	336.76	2.37	-47.00
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775345	0	42	-1.0	-49.78	357.15	2.92	-46.86
CSC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1[N+](=O)[O-]	REAL300019775346	0	37	-1.0	-45.22	336.42	4.60	-40.62
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775347	0	41	-1.0	-54.65	348.76	4.74	-49.91
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CCC1=NON=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775352	0	32	-1.0	-37.80	287.54	1.05	-36.75
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C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@H](C)O1	REAL300019775356	0	42	-1.0	-47.28	350.75	1.01	-46.27
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O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC(F)(F)CC1	REAL300019775364	0	40	-1.0	-51.06	318.57	3.86	-47.20
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CN1C=C(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019775373	0	35	-1.0	-49.50	311.03	1.32	-48.18
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CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(C2CC2)=NO1	REAL300019775375	0	39	-1.0	-42.58	333.60	2.61	-39.97
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CN(C)C1=CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300019775378	0	45	-1.0	-45.14	371.05	5.73	-39.41
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CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775380	0	52	-1.0	-48.72	406.94	5.20	-43.52
C#CC1=CC=C(C2CC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019775381	0	40	-1.0	-52.17	344.74	6.19	-45.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(C1)OC2	REAL300019775382	0	36	-1.0	-43.71	297.20	1.16	-42.55
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC=C2C=N1	REAL300019775383	0	39	-1.0	-45.77	336.48	3.86	-41.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCC2)CC1(F)F	REAL300019775384	0	38	-1.0	-44.11	316.53	4.31	-39.80
CN1N=CC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C(C3CC3)N=C21	REAL300019775385	0	43	-1.0	-45.52	364.36	4.16	-41.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019775386	0	41	-1.0	-48.32	345.93	4.43	-43.89
CCC1=NOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019775387	0	33	-1.0	-40.58	295.08	1.82	-38.76
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775388	0	51	-1.0	-51.99	407.03	2.27	-49.72
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775389	0	43	-1.0	-46.81	334.86	4.29	-42.52
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COC1=CC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(OC)=C1OC	REAL300019775391	0	47	-1.0	-53.46	401.14	3.55	-49.91
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775392	0	47	-1.0	-52.62	380.97	2.80	-49.82
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CC1=CNC2=NC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300019775396	0	37	-1.0	-46.43	320.96	3.01	-43.42
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CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)O1	REAL300019775399	0	42	-1.0	-49.48	367.59	0.44	-49.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2=CC=CN=C2C1	REAL300019775400	0	37	-1.0	-48.27	314.68	3.02	-45.25
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CC1=CC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN=C2C(F)=C1	REAL300019775403	0	39	-1.0	-45.31	341.58	4.17	-41.14
CN1C=C(C2=NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CO2)C=N1	REAL300019775404	0	37	-1.0	-46.18	336.92	-0.79	-46.97
COC1=C2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)NC2=C(C)C=C1	REAL300019775405	0	42	-1.0	-45.77	357.15	2.94	-42.83
CCCCOC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019775406	0	47	-1.0	-46.44	391.67	5.55	-40.89
COC1=NC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300019775407	0	40	-1.0	-48.18	346.19	1.93	-46.25
CC1=CN2C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN=C2S1	REAL300019775408	0	34	-1.0	-48.89	309.62	3.48	-45.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019775409	0	41	-1.0	-43.83	369.60	3.83	-40.00
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CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019775411	0	42	-1.0	-45.93	346.71	3.68	-42.25
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC1	REAL300019775412	0	38	-1.0	-48.03	309.20	1.32	-46.71
COC1CC2(C1)CCC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)CC2	REAL300019775413	0	48	-1.0	-47.42	375.81	3.89	-43.53
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775414	0	49	-1.0	-49.21	394.60	7.06	-42.15
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019775415	0	52	-1.0	-43.42	375.20	5.65	-37.77
CC1=CC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN=C2C=C1	REAL300019775416	0	39	-1.0	-44.26	335.36	4.09	-40.17
CN1C=C(C2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=NO2)N=N1	REAL300019775417	0	36	-1.0	-47.82	330.24	0.67	-47.15
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O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300019775420	0	38	-1.0	-55.61	328.92	2.80	-52.81
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775421	0	46	-1.0	-49.39	372.90	6.35	-43.04
COC1(C(F)(F)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300019775422	0	41	-1.0	-39.81	332.31	2.85	-36.96
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775423	0	45	-1.0	-44.62	372.42	4.63	-39.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CCC(F)(F)CC2	REAL300019775424	0	41	-1.0	-48.87	339.12	4.68	-44.19
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1Br	REAL300019775425	0	33	-1.0	-42.16	309.59	2.40	-39.76
CN(C)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1[N+](=O)[O-]	REAL300019775426	0	41	-1.0	-45.23	353.09	4.32	-40.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019775427	0	35	-1.0	-45.40	321.11	2.91	-42.49
CC1CCOC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775428	0	38	-1.0	-46.86	308.03	2.08	-44.78
COC(=O)C1=CSC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019775429	0	34	-1.0	-48.06	321.02	2.71	-45.35
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019775430	0	42	-1.0	-42.70	344.18	3.57	-39.13
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N#CC1=CC=C(C2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=CO2)C=C1	REAL300019775432	0	38	-1.0	-48.60	348.71	1.87	-46.73
COC1CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1(C)C	REAL300019775433	0	44	-1.0	-50.79	353.90	2.93	-47.86
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019775434	0	41	-1.0	-46.90	365.13	5.11	-41.79
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=NN21	REAL300019775435	0	45	-1.0	-52.66	371.14	4.46	-48.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCCN1C(=O)CCCC2	REAL300019775436	0	45	-1.0	-44.17	344.79	3.44	-40.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019775437	0	41	-1.0	-45.64	357.61	5.69	-39.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CC2(F)F)C1	REAL300019775438	0	38	-1.0	-51.22	326.03	4.13	-47.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2C1C2(F)F	REAL300019775439	0	38	-1.0	-53.18	315.62	3.94	-49.24
C=C1CC2(C1)CC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300019775440	0	39	-1.0	-42.90	326.72	4.41	-38.49
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775441	0	42	-1.0	-47.63	348.01	4.32	-43.31
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775442	0	49	-1.0	-42.26	352.46	5.06	-37.20
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@@H]12	REAL300019775443	0	49	-1.0	-45.24	402.52	2.51	-42.73
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)F)=NN1C	REAL300019775444	0	37	-1.0	-50.90	333.48	2.06	-48.84
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775445	0	42	-1.0	-60.63	346.98	2.36	-58.27
CCC1=CC=C(C(=O)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019775446	0	36	-1.0	-39.77	328.44	3.54	-36.23
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775447	0	49	-1.0	-48.35	399.81	2.70	-45.65
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CC1(C)OC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C2NC1=O	REAL300019775449	0	43	-1.0	-47.25	363.01	1.62	-45.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300019775450	0	39	-1.0	-46.74	326.92	2.15	-44.59
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300019775451	0	39	-1.0	-48.48	342.83	1.98	-46.50
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C12	REAL300019775452	0	43	-1.0	-45.18	363.79	5.78	-39.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC2=C1CCNC2=O	REAL300019775453	0	38	-1.0	-47.10	322.05	-0.28	-47.38
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NC=C1C(F)F	REAL300019775454	0	36	-1.0	-46.84	319.91	2.73	-44.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCCNC2=O)S1	REAL300019775455	0	39	-1.0	-50.38	342.22	1.34	-49.04
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019775456	0	40	-1.0	-55.63	338.00	1.01	-54.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2C1C2(F)F	REAL300019775457	0	35	-1.0	-44.06	302.57	3.46	-40.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019775458	0	35	-1.0	-47.42	327.31	2.25	-45.17
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775459	0	51	-1.0	-48.40	416.83	0.83	-47.57
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019775460	0	51	-1.0	-48.42	403.05	2.90	-45.52
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775461	0	42	-1.0	-51.06	352.17	3.89	-47.17
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775462	0	34	-1.0	-53.80	315.91	2.12	-51.68
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775463	0	45	-1.0	-53.22	377.33	1.85	-51.37
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N2C=C(C)SC2=N1	REAL300019775464	0	40	-1.0	-48.20	349.09	4.81	-43.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(C2CCCO2)O1	REAL300019775465	0	43	-1.0	-46.55	351.27	2.30	-44.25
CC1=CC(F)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1[N+](=O)[O-]	REAL300019775466	0	36	-1.0	-44.82	324.34	4.43	-40.39
CN1N=NC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C21	REAL300019775467	0	36	-1.0	-59.10	315.47	1.69	-57.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2OCCCC2=C1	REAL300019775468	0	38	-1.0	-45.34	321.73	0.56	-44.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019775469	0	36	-1.0	-42.10	326.57	2.31	-39.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)CCC1=CC=CC=C1	REAL300019775470	0	40	-1.0	-42.57	350.64	5.44	-37.13
CC1=CC2=C(C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)S2)S1	REAL300019775471	0	34	-1.0	-42.17	324.09	4.35	-37.82
O=C(CC12CCC(CC1)C2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775472	0	41	-1.0	-43.98	320.85	4.32	-39.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC=CC2=CC=CC=C21	REAL300019775473	0	39	-1.0	-45.74	328.12	5.26	-40.48
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775474	0	42	-1.0	-49.92	367.29	-0.71	-50.63
CCCOCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775475	0	40	-1.0	-49.92	336.10	2.35	-47.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2C=NN=C2C=N1	REAL300019775476	0	32	-1.0	-44.82	290.80	2.62	-42.20
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775477	0	32	-1.0	-52.43	291.59	1.22	-51.21
CON(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)OC(C)(C)C	REAL300019775478	0	48	-1.0	-49.44	396.52	3.11	-46.33
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019775479	0	44	-1.0	-42.14	373.14	1.67	-40.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=NC=CC=C12	REAL300019775480	0	36	-1.0	-46.00	308.88	3.39	-42.61
COC(=O)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(F)C=N1	REAL300019775481	0	36	-1.0	-44.49	328.23	1.99	-42.50
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019775482	0	39	-1.0	-48.45	329.03	4.42	-44.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2SC=CC2=CN=C1	REAL300019775483	0	33	-1.0	-45.74	302.67	2.65	-43.09
CC(C)C(C)C(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775484	0	45	-1.0	-46.86	342.72	4.24	-42.62
COC1CC2(C1)CC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300019775485	0	42	-1.0	-43.78	346.36	2.87	-40.91
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775486	0	47	-1.0	-46.46	388.70	5.23	-41.23
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@@H]12	REAL300019775487	0	36	-1.0	-50.51	309.93	1.69	-48.82
CC1(C)CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CO1	REAL300019775488	0	41	-1.0	-45.61	324.11	2.07	-43.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019775489	0	38	-1.0	-43.71	353.92	5.88	-37.83
O=C(CC1CCCNC(=O)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775490	0	41	-1.0	-62.33	329.84	0.57	-61.76
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1C(F)(F)F	REAL300019775491	0	34	-1.0	-42.04	298.57	2.98	-39.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC12CCC2	REAL300019775492	0	44	-1.0	-46.61	335.14	4.97	-41.64
CC12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(CO1)CCC2	REAL300019775493	0	42	-1.0	-46.67	329.22	2.30	-44.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCCC1C2(F)F	REAL300019775494	0	35	-1.0	-45.61	303.99	3.43	-42.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019775495	0	47	-1.0	-48.21	371.50	6.63	-41.58
CN1C=NC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C21	REAL300019775496	0	37	-1.0	-55.15	320.85	4.53	-50.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCCCC1C2(F)F	REAL300019775497	0	38	-1.0	-46.65	314.11	3.86	-42.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(Cl)C=NN1C1CCCC1	REAL300019775498	0	41	-1.0	-41.41	348.16	4.50	-36.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2CC2)C=CO1	REAL300019775499	0	35	-1.0	-46.90	304.88	3.21	-43.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC(C2=CC=CC=N2)=C1	REAL300019775500	0	37	-1.0	-50.42	330.83	1.40	-49.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=CC=N2)=NN1	REAL300019775500	1	37	-1.0	-50.42	330.83	1.40	-49.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019775501	0	41	-1.0	-56.66	360.64	-0.58	-57.24
CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCO1	REAL300019775502	0	38	-1.0	-50.94	308.73	2.42	-48.52
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775503	0	31	-1.0	-39.58	307.53	-0.61	-40.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC2=CC=CNC2=C1	REAL300019775504	0	34	-1.0	-58.23	302.64	1.22	-57.01
COC1=C(Cl)C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=NC=CC=C21	REAL300019775505	0	40	-1.0	-51.86	360.96	3.91	-47.95
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775506	0	46	-1.0	-49.68	388.88	3.17	-46.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2C3CC1C(=O)C32	REAL300019775507	0	35	-1.0	-55.43	299.13	2.81	-52.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN2N=NC=C12	REAL300019775508	0	33	-1.0	-49.33	291.16	1.64	-47.69
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781202	0	40	-1.0	-51.11	349.16	4.85	-46.26
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781202	1	40	-1.0	-51.11	349.23	4.84	-46.27
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781203	0	40	-1.0	-48.40	342.93	4.63	-43.77
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781203	1	40	-1.0	-48.45	342.97	4.63	-43.82
O=C(C1CCC2(CC2(F)F)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781204	0	41	-1.0	-51.41	328.95	5.67	-45.74
O=C(C1CCC2(CC2(F)F)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781204	1	41	-1.0	-51.46	329.02	5.67	-45.79
O=C(C1=CC=C(C(F)F)C=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019781205	0	34	-1.0	-56.47	298.84	4.78	-51.69
O=C(C1=CC=C(C(F)F)C=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019781205	1	34	-1.0	-56.45	298.91	4.78	-51.67
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019781206	0	39	-1.0	-54.63	339.34	5.40	-49.23
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019781206	1	39	-1.0	-54.62	339.41	5.41	-49.21
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCSCC1C1=N[N-]N=N1	REAL300019781207	0	35	-1.0	-49.03	319.12	3.89	-45.14
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCSCC1C1=NN=N[N-]1	REAL300019781207	1	35	-1.0	-49.02	319.19	3.89	-45.13
NC1=C(Cl)C(F)=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1Cl	REAL300019781208	0	33	-1.0	-46.83	306.36	2.88	-43.95
NC1=C(Cl)C(F)=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1Cl	REAL300019781208	1	33	-1.0	-46.89	306.43	2.88	-44.01
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781209	0	42	-1.0	-57.60	361.71	0.70	-56.90
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781209	1	42	-1.0	-57.55	361.78	0.70	-56.85
O=C(C1=CSC(N2CCCCC2)=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781210	0	42	-1.0	-49.68	344.84	4.41	-45.27
O=C(C1=CSC(N2CCCCC2)=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781210	1	42	-1.0	-49.69	344.78	4.41	-45.28
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781211	0	38	-1.0	-48.64	329.64	2.85	-45.79
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781211	1	38	-1.0	-48.63	329.69	2.88	-45.75
O=C(C1=CC2=CN=CC=C2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781212	0	36	-1.0	-54.61	300.80	4.29	-50.32
O=C(C1=CC2=CN=CC=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781212	1	36	-1.0	-54.63	300.86	4.29	-50.34
O=C(N1CCSCC1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300019781213	0	41	0.0	-67.26	293.76	3.66	-63.60
O=C(N1CCSCC1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300019781213	1	41	0.0	-68.42	295.37	3.44	-64.98
O=C(N1CCSCC1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300019781213	1	41	0.0	-67.20	293.70	3.66	-63.54
O=C(N1CCSCC1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300019781213	1	41	0.0	-68.44	295.31	3.45	-64.99
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019781214	0	49	-1.0	-51.37	379.27	4.75	-46.62
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019781214	1	49	-1.0	-51.43	379.32	4.74	-46.69
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCSCC1C1=NN=N[N-]1	REAL300019781215	0	34	-1.0	-55.28	290.78	-0.10	-55.38
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCSCC1C1=N[N-]N=N1	REAL300019781215	1	34	-1.0	-55.25	290.71	-0.10	-55.35
O=C(C1=C2NC=NC2=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781216	0	33	-1.0	-48.63	280.87	1.65	-46.98
O=C(C1=CNC=C2N=CN=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019781216	1	33	-1.0	-58.52	277.67	2.78	-55.74
O=C(C1=C2NC=NC2=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781216	1	33	-1.0	-48.67	280.80	1.64	-47.03
O=C(C1=CNC=C2N=CN=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019781216	1	33	-1.0	-58.50	277.61	2.77	-55.73
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781217	0	39	-1.0	-52.75	328.88	4.09	-48.66
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781217	1	39	-1.0	-52.76	328.94	4.10	-48.66
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)SC(C2=CC=CC=C2F)=N1	REAL300019781218	0	40	-1.0	-56.03	350.07	5.68	-50.35
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)SC(C2=CC=CC=C2F)=N1	REAL300019781218	1	40	-1.0	-56.00	349.98	5.68	-50.32
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781219	0	36	-1.0	-49.53	310.37	6.52	-43.01
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781219	1	36	-1.0	-49.51	310.31	6.53	-42.98
O=C(C1=C2N=CSC2=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781220	0	33	-1.0	-63.23	291.07	3.25	-59.98
O=C(C1=C2N=CSC2=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781220	1	33	-1.0	-63.26	291.00	3.24	-60.02
CS(=O)(=O)C1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CO1	REAL300019781221	0	34	-1.0	-63.63	306.18	-0.42	-64.05
CS(=O)(=O)C1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CO1	REAL300019781221	1	34	-1.0	-63.60	306.26	-0.41	-64.01
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCSCC1C1=N[N-]N=N1	REAL300019781222	0	34	-1.0	-58.14	306.84	4.89	-53.25
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCSCC1C1=NN=N[N-]1	REAL300019781222	1	34	-1.0	-58.16	306.92	4.90	-53.26
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781223	0	38	-1.0	-54.46	319.79	7.26	-47.20
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781223	1	38	-1.0	-54.45	319.73	7.24	-47.21
O=C(CNC1=CC=CC=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781224	0	35	-1.0	-55.94	295.83	2.29	-53.65
O=C(CNC1=CC=CC=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781224	1	35	-1.0	-55.95	295.90	2.28	-53.67
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781225	0	42	-1.0	-53.08	337.65	3.93	-49.15
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781225	1	42	-1.0	-53.04	337.72	3.94	-49.10
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019781226	0	45	-1.0	-49.15	365.47	4.66	-44.49
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019781226	1	45	-1.0	-49.14	365.40	4.67	-44.47
O=C(C1CCS(=O)(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781227	0	33	-1.0	-64.43	284.78	-2.60	-67.03
O=C(C1CCS(=O)(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781227	1	33	-1.0	-64.48	284.85	-2.60	-67.08
CC(C)(O)C1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019781228	0	47	-1.0	-54.62	350.05	2.61	-52.01
CC(C)(O)C1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019781228	1	47	-1.0	-54.62	350.12	2.62	-52.00
O=C(C=CC1CCCCCC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781229	0	44	-1.0	-52.75	335.81	6.21	-46.54
O=C(C=CC1CCCCCC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781229	1	44	-1.0	-52.75	335.87	6.22	-46.53
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019781230	0	36	-1.0	-57.32	315.04	5.43	-51.89
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019781230	1	36	-1.0	-57.32	315.11	5.45	-51.87
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CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781235	1	54	-1.0	-50.76	417.05	4.38	-46.38
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CC(CC(=O)N1CCSCC1C1=NN=N[N-]1)N1C=CN=C1	REAL300019781242	1	37	-1.0	-48.72	305.78	4.87	-43.85
CCN1C=CC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781243	0	37	-1.0	-60.13	311.72	3.56	-56.57
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CSC1=CC=CN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781247	0	34	-1.0	-55.38	292.78	4.04	-51.34
CSC1=CC=CN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781247	1	34	-1.0	-55.38	292.72	4.01	-51.37
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CCC1=NC=CN1C(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781250	0	43	-1.0	-48.14	346.48	5.42	-42.72
CCC1=NC=CN1C(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781250	1	43	-1.0	-48.14	346.55	5.41	-42.73
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781250	1	44	0.0	-59.82	349.69	5.88	-53.94
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781250	1	44	0.0	-59.86	349.76	5.87	-53.99
CCCOC1=CC=NC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781251	0	42	-1.0	-56.37	353.81	2.16	-54.21
CCCOC1=CC=NC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781251	1	42	-1.0	-56.40	353.88	2.17	-54.23
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O=C(C1=C2C=CC(Cl)=CN2C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781252	1	34	-1.0	-55.68	305.41	6.59	-49.09
O=C(CC1=CN2CCCCC2=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781253	0	41	-1.0	-62.99	331.17	5.24	-57.75
O=C(CC1=CN2CCCCC2=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781253	1	41	-1.0	-63.01	331.23	5.23	-57.78
CSC1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781254	0	34	-1.0	-50.44	290.48	3.86	-46.58
CSC1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781254	1	34	-1.0	-50.50	290.44	3.85	-46.65
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781255	0	56	0.0	-67.38	418.55	3.57	-63.81
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781255	1	56	0.0	-67.38	418.61	3.58	-63.80
O=C(CC1(CN2C=NN=N2)CCCCC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781256	0	48	-1.0	-39.89	360.06	6.10	-33.79
O=C(CC1(CN2C=NN=N2)CCCCC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781256	1	48	-1.0	-39.89	360.01	6.08	-33.81
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N#CC1=CC(Br)=CC=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781257	1	35	-1.0	-53.53	328.28	5.77	-47.76
O=C(C1=CN=C(C2=CC=CC(Cl)=C2)S1)N1CCSCC1C1=NN=N[N-]1	REAL300019781258	0	37	-1.0	-51.08	343.87	5.35	-45.73
O=C(C1=CN=C(C2=CC=CC(Cl)=C2)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019781258	1	37	-1.0	-51.08	343.76	5.34	-45.74
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCSCC1C1=NN=N[N-]1	REAL300019781259	0	37	-1.0	-56.78	335.35	5.06	-51.72
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019781259	1	37	-1.0	-56.73	335.26	5.07	-51.66
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019781260	0	37	-1.0	-52.58	318.70	6.11	-46.47
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019781260	1	37	-1.0	-52.60	318.77	6.12	-46.48
O=C(C1CC1C1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781261	0	41	-1.0	-50.62	314.51	6.05	-44.57
O=C(C1CC1C1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781261	1	41	-1.0	-50.60	314.55	6.07	-44.53
COC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C(F)(F)F	REAL300019781262	0	34	-1.0	-47.58	296.14	2.70	-44.88
COC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C(F)(F)F	REAL300019781262	1	34	-1.0	-47.62	296.21	2.70	-44.92
CSCC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019781263	0	38	-1.0	-48.78	321.53	5.33	-43.45
CSCC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019781263	1	38	-1.0	-48.80	321.59	5.36	-43.44
O=C(CC1C2CC3CC(C2)CC1C3)N1CCSCC1C1=N[N-]N=N1	REAL300019781264	0	48	-1.0	-55.02	341.94	6.69	-48.33
O=C(CC1C2CC3CC(C2)CC1C3)N1CCSCC1C1=NN=N[N-]1	REAL300019781264	1	48	-1.0	-55.00	342.01	6.69	-48.31
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781265	0	45	-1.0	-60.93	364.14	2.40	-58.53
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781265	1	45	-1.0	-60.97	364.21	2.41	-58.56
NC(=O)C1=NN(CC(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019781266	0	34	-1.0	-72.96	301.07	-0.28	-73.24
NC(=O)C1=NN(CC(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019781266	1	34	-1.0	-72.92	300.99	-0.28	-73.20
CC1=CC=CC(C2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)N2C)=C1	REAL300019781267	0	45	-1.0	-53.49	358.82	7.19	-46.30
CC1=CC=CC(C2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)N2C)=C1	REAL300019781267	1	45	-1.0	-53.48	358.89	7.19	-46.29
O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781268	0	39	-1.0	-77.72	323.18	3.97	-73.75
O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781268	1	39	-1.0	-77.71	323.24	3.98	-73.73
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781269	0	39	-1.0	-65.71	323.07	3.96	-61.75
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781269	1	39	-1.0	-65.70	323.16	3.97	-61.73
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781270	0	47	-1.0	-59.35	386.15	2.73	-56.62
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781270	1	47	-1.0	-59.32	386.22	2.73	-56.59
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781271	0	37	-1.0	-53.08	327.79	4.03	-49.05
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781271	1	37	-1.0	-53.05	327.86	4.02	-49.03
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781272	0	49	-1.0	-62.15	376.34	6.27	-55.88
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781272	1	49	-1.0	-62.17	376.42	6.26	-55.91
CC(C)(C)N1N=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781273	0	38	-1.0	-51.18	317.92	2.22	-48.96
CC(C)(C)N1N=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781273	1	38	-1.0	-51.19	317.85	2.21	-48.98
O=C(CC12CCCCC1C2(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019781274	0	41	-1.0	-58.88	324.43	5.97	-52.91
O=C(CC12CCCCC1C2(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019781274	1	41	-1.0	-58.86	324.49	5.97	-52.89
CC1=CC(Br)=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1C	REAL300019781275	0	37	-1.0	-48.94	317.49	5.78	-43.16
CC1=CC(Br)=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1C	REAL300019781275	1	37	-1.0	-48.91	317.55	5.79	-43.12
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O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781276	1	47	-1.0	-52.98	356.13	7.04	-45.94
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781277	0	45	-1.0	-56.36	365.96	6.36	-50.00
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781277	1	45	-1.0	-56.36	366.03	6.37	-49.99
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781278	0	48	-1.0	-55.13	399.43	8.21	-46.92
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781278	1	48	-1.0	-55.17	399.50	8.20	-46.97
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781279	0	34	-1.0	-56.39	301.64	4.30	-52.09
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781279	1	34	-1.0	-56.40	301.59	4.28	-52.12
COC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=C1C#N	REAL300019781280	0	36	-1.0	-52.21	309.55	3.53	-48.68
COC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=C1C#N	REAL300019781280	1	36	-1.0	-52.22	309.62	3.54	-48.68
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CC(Br)=C1F	REAL300019781281	0	34	-1.0	-48.68	303.88	5.34	-43.34
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CC(Br)=C1F	REAL300019781281	1	34	-1.0	-48.66	303.94	5.35	-43.31
CC1=CC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)N=CN2C=C1	REAL300019781282	0	37	-1.0	-62.57	310.20	6.76	-55.81
CC1=CC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)N=CN2C=C1	REAL300019781282	1	37	-1.0	-62.57	310.13	6.75	-55.82
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CC(C)(C)OC(=O)C1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019781295	1	52	-1.0	-63.64	388.60	6.83	-56.81
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CCCCCC1=NNC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781297	1	43	-1.0	-48.49	350.72	4.40	-44.09
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CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(C)N1C1CCOCC1	REAL300019781299	0	49	-1.0	-54.71	370.07	5.22	-49.49
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(C)N1C1CCOCC1	REAL300019781299	1	49	-1.0	-54.75	370.13	5.24	-49.51
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CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC(NCC(F)(F)F)=N1	REAL300019781301	0	41	-1.0	-50.66	352.43	3.60	-47.06
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC(NCC(F)(F)F)=N1	REAL300019781301	1	41	-1.0	-50.69	352.50	3.61	-47.08
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781302	0	35	-1.0	-55.32	308.10	4.29	-51.03
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781302	1	35	-1.0	-55.39	308.17	4.29	-51.10
CC1(C)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC(C)(C)C1	REAL300019781303	0	49	-1.0	-53.41	359.65	6.26	-47.15
CC1(C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC(C)(C)C1	REAL300019781303	1	49	-1.0	-53.42	359.72	6.27	-47.15
O=C(CN1C=C(C2CC2)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781304	0	38	-1.0	-59.81	319.76	4.44	-55.37
O=C(CN1C=C(C2CC2)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781304	1	38	-1.0	-59.81	319.70	4.44	-55.37
O=C(C1=CC=CC2=C1COCC2)N1CCSCC1C1=N[N-]N=N1	REAL300019781305	0	39	-1.0	-56.78	309.52	3.86	-52.92
O=C(C1=CC=CC2=C1COCC2)N1CCSCC1C1=NN=N[N-]1	REAL300019781305	1	39	-1.0	-56.79	309.59	3.87	-52.92
O=C(C1CC2(CC2(F)F)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781306	0	35	-1.0	-50.80	299.97	4.73	-46.07
O=C(C1CC2(CC2(F)F)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781306	1	35	-1.0	-50.83	300.04	4.73	-46.10
C[C@@H](C(=O)N1CCSCC1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019781307	0	47	-1.0	-49.90	364.65	4.18	-45.72
C[C@@H](C(=O)N1CCSCC1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019781307	1	47	-1.0	-49.89	364.71	4.19	-45.70
COC(=O)C1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(C)O1	REAL300019781308	0	37	-1.0	-47.79	318.56	3.52	-44.27
COC(=O)C1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(C)O1	REAL300019781308	1	37	-1.0	-47.79	318.63	3.53	-44.26
O=C(C(CO)C1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781309	0	38	-1.0	-53.44	308.67	2.37	-51.07
O=C(C(CO)C1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781309	1	38	-1.0	-53.45	308.75	2.37	-51.08
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781310	0	30	-1.0	-47.40	294.93	4.07	-43.33
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781310	1	30	-1.0	-47.39	294.86	4.07	-43.32
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781311	0	38	-1.0	-57.62	318.13	0.09	-57.53
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781311	1	38	-1.0	-57.60	318.07	0.08	-57.52
CCC1=CNC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781312	0	37	-1.0	-61.44	310.11	3.01	-58.43
CCC1=CNC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781312	1	37	-1.0	-61.43	310.17	3.01	-58.42
O=C(CC1=CN=CC2=CC=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019781313	0	39	-1.0	-55.49	326.06	5.29	-50.20
O=C(CC1=CN=CC2=CC=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019781313	1	39	-1.0	-55.50	326.13	5.29	-50.21
CC(=CC(=O)N1CCSCC1C1=N[N-]N=N1)CN1CCOCC1	REAL300019781314	0	44	-1.0	-51.33	341.96	1.70	-49.63
CC(=CC(=O)N1CCSCC1C1=NN=N[N-]1)CN1CCOCC1	REAL300019781314	1	44	-1.0	-51.32	342.03	1.72	-49.60
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCSCC1C1=N[N-]N=N1	REAL300019781315	0	33	-1.0	-51.67	297.29	-1.03	-52.70
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCSCC1C1=NN=N[N-]1	REAL300019781315	1	33	-1.0	-51.63	297.36	-1.03	-52.66
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCSCC1C1=N[N-]N=N1	REAL300019781316	0	34	-1.0	-62.79	299.49	2.95	-59.84
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCSCC1C1=NN=N[N-]1	REAL300019781316	1	34	-1.0	-62.78	299.55	2.95	-59.83
CN(C)C1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019781317	0	42	-1.0	-49.85	349.61	5.18	-44.67
CN(C)C1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019781317	1	42	-1.0	-49.85	349.68	5.18	-44.67
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781318	0	35	-1.0	-51.91	316.28	5.30	-46.61
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781318	1	35	-1.0	-51.96	316.34	5.29	-46.67
CC1=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)SC(SCC(C)C)=N1	REAL300019781319	0	46	-1.0	-54.48	397.12	6.12	-48.36
CC1=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)SC(SCC(C)C)=N1	REAL300019781319	1	46	-1.0	-54.47	397.19	6.11	-48.36
O=C(C1=NN2C=CC=NC2=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781320	0	32	-1.0	-61.54	281.45	4.93	-56.61
O=C(C1=NN2C=CC=NC2=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781320	1	32	-1.0	-61.53	281.38	4.92	-56.61
CC(=CC(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=CO1	REAL300019781321	0	35	-1.0	-49.61	296.20	4.40	-45.21
CC(=CC(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=CO1	REAL300019781321	1	35	-1.0	-49.63	296.27	4.40	-45.23
COC1=CC=CC=C1C(F)(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781322	0	38	-1.0	-48.04	322.02	4.37	-43.67
COC1=CC=CC=C1C(F)(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781322	1	38	-1.0	-48.01	322.09	4.37	-43.64
CC1=NNC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C12	REAL300019781323	0	37	-1.0	-53.70	311.26	3.16	-50.54
CC1=NNC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C12	REAL300019781323	1	37	-1.0	-53.69	311.21	3.15	-50.54
NC(=O)N=NC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781324	0	37	-1.0	-55.56	320.84	-1.03	-56.59
NC(=O)N=NC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781324	1	37	-1.0	-55.61	320.91	-1.02	-56.63
O=C(C1=CNC(=S)N1C1CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781325	0	36	-1.0	-55.56	304.21	3.97	-51.59
O=C(C1=CNC(=S)N1C1CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781325	1	36	-1.0	-55.66	304.28	4.00	-51.66
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781326	0	36	-1.0	-48.83	315.11	2.03	-46.80
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781326	1	36	-1.0	-48.86	315.05	2.01	-46.85
CC1=CC=NC=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781327	0	36	-1.0	-53.57	300.45	3.69	-49.88
CC1=CC=NC=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781327	1	36	-1.0	-53.56	300.52	3.69	-49.87
COCCCN1N=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CC1=O	REAL300019781328	0	43	-1.0	-49.76	361.07	2.36	-47.40
COCCCN1N=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CC1=O	REAL300019781328	1	43	-1.0	-49.75	361.13	2.37	-47.38
O=C(C1=C2C=CSC2=NC=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781329	0	32	-1.0	-48.65	289.68	3.93	-44.72
O=C(C1=C2C=CSC2=NC=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781329	1	32	-1.0	-48.61	289.62	3.91	-44.70
O=C(C1=CC=NN1C(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019781330	0	31	-1.0	-52.07	269.41	1.91	-50.16
O=C(C1=CC=NN1C(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019781330	1	31	-1.0	-52.09	269.35	1.91	-50.18
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC=C21	REAL300019781331	0	45	-1.0	-54.46	364.39	5.33	-49.13
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC=C21	REAL300019781331	1	45	-1.0	-54.43	364.46	5.34	-49.09
CC1=NN(C(C)CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781332	0	40	-1.0	-52.12	327.06	3.96	-48.16
CC1=NN(C(C)CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781332	1	40	-1.0	-52.14	327.13	3.97	-48.17
O=C(CCCC1=CC=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781333	0	39	-1.0	-56.84	325.89	4.74	-52.10
O=C(CCCC1=CC=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781333	1	39	-1.0	-56.84	325.96	4.74	-52.10
O=C(C1=CC=C(CF)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781334	0	34	-1.0	-54.80	287.61	4.63	-50.17
O=C(C1=CC=C(CF)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781334	1	34	-1.0	-54.82	287.68	4.64	-50.18
COC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300019781335	0	38	-1.0	-50.46	326.99	4.22	-46.24
COC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300019781335	1	38	-1.0	-50.46	327.06	4.22	-46.24
COC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CCOC1	REAL300019781336	0	39	-1.0	-59.87	307.06	1.78	-58.09
COC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CCOC1	REAL300019781336	1	39	-1.0	-59.92	307.13	1.78	-58.14
CC(C)(C)N1N=NC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781337	0	41	-1.0	-61.02	341.52	2.51	-58.51
CC(C)(C)N1N=NC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781337	1	41	-1.0	-61.03	341.59	2.51	-58.52
O=C(C1=CC=C2COCCC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781338	0	39	-1.0	-55.75	313.58	3.93	-51.82
O=C(C1=CC=C2COCCC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781338	1	39	-1.0	-55.73	313.64	3.93	-51.80
O=C(CCC1CC1(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019781339	0	34	-1.0	-53.34	293.30	4.42	-48.92
O=C(CCC1CC1(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019781339	1	34	-1.0	-53.37	293.37	4.43	-48.94
COCCCOCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781340	0	41	-1.0	-50.20	338.84	1.87	-48.33
COCCCOCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781340	1	41	-1.0	-50.19	338.91	1.86	-48.33
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCSCC1C1=N[N-]N=N1	REAL300019781341	0	34	-1.0	-51.21	316.04	5.81	-45.40
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCSCC1C1=NN=N[N-]1	REAL300019781341	1	34	-1.0	-51.21	316.12	5.82	-45.39
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781342	0	42	-1.0	-55.47	344.73	5.53	-49.94
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781342	1	42	-1.0	-55.42	344.80	5.53	-49.89
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781343	0	40	-1.0	-55.21	339.49	5.46	-49.75
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781343	1	40	-1.0	-55.25	339.45	5.46	-49.79
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781344	0	50	-1.0	-52.31	390.02	8.75	-43.56
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781344	1	50	-1.0	-52.35	390.08	8.73	-43.62
COCC1=CN=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781345	0	37	-1.0	-51.29	310.16	1.68	-49.61
COCC1=CN=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781345	1	37	-1.0	-51.29	310.09	1.68	-49.61
CN(C)C(=O)C1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019781346	0	47	-1.0	-56.29	358.62	4.13	-52.16
CN(C)C(=O)C1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019781346	1	47	-1.0	-56.22	358.68	4.13	-52.09
CC1=C(Br)C=NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781347	0	33	-1.0	-46.82	291.71	3.33	-43.49
CC1=C(Br)C=NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781347	1	33	-1.0	-46.82	291.76	3.35	-43.47
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C21	REAL300019781348	0	44	-1.0	-55.65	354.47	4.07	-51.58
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C21	REAL300019781348	1	44	-1.0	-55.63	354.54	4.08	-51.55
COC1=CC=CC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=C1Cl	REAL300019781349	0	38	-1.0	-54.96	331.25	4.71	-50.25
COC1=CC=CC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=C1Cl	REAL300019781349	1	38	-1.0	-54.98	331.32	4.71	-50.27
O=C(C1=CN=C2CCCN12)N1CCSCC1C1=N[N-]N=N1	REAL300019781350	0	35	-1.0	-57.76	282.65	3.64	-54.12
O=C(C1=CN=C2CCCN12)N1CCSCC1C1=NN=N[N-]1	REAL300019781350	1	35	-1.0	-57.75	282.73	3.65	-54.10
CC1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(N)=N1	REAL300019781351	0	34	-1.0	-45.85	284.65	0.90	-44.95
CC1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(N)=N1	REAL300019781351	1	34	-1.0	-45.85	284.71	0.92	-44.93
CCC(C(=O)N1CCSCC1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019781352	0	50	-1.0	-50.13	381.24	5.26	-44.87
CCC(C(=O)N1CCSCC1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019781352	1	50	-1.0	-50.17	381.29	5.26	-44.91
O=C(CCC1CC1(Cl)Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019781353	0	34	-1.0	-51.67	312.70	5.28	-46.39
O=C(CCC1CC1(Cl)Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019781353	1	34	-1.0	-51.70	312.76	5.29	-46.41
O=C(C(CC1COCCO1)C(F)(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019781354	0	42	-1.0	-47.49	340.96	2.52	-44.97
O=C(C(CC1COCCO1)C(F)(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019781354	1	42	-1.0	-47.46	341.02	2.54	-44.92
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781355	0	44	-1.0	-53.36	355.03	4.24	-49.12
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781355	1	44	-1.0	-53.37	355.10	4.23	-49.14
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781356	0	51	-1.0	-66.13	397.20	5.03	-61.10
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781356	1	51	-1.0	-66.16	397.27	5.03	-61.13
O=C(CC1=CC=C(Br)C=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019781357	0	34	-1.0	-52.72	314.91	5.58	-47.14
O=C(CC1=CC=C(Br)C=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019781357	1	34	-1.0	-52.76	314.98	5.59	-47.17
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019781358	0	37	-1.0	-60.92	317.60	3.78	-57.14
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019781358	1	37	-1.0	-60.87	317.54	3.78	-57.09
CC(C)N(CC(=O)N1CCSCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019781359	0	50	-1.0	-57.34	386.98	5.54	-51.80
CC(C)N(CC(=O)N1CCSCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019781359	1	50	-1.0	-57.34	387.04	5.53	-51.81
CC(=O)C1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300019781360	0	46	-1.0	-54.51	369.27	6.43	-48.08
CC(=O)C1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300019781360	1	46	-1.0	-54.55	369.33	6.43	-48.12
NC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300019781361	0	43	-1.0	-50.52	355.14	4.42	-46.10
NC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300019781361	1	43	-1.0	-50.51	355.08	4.42	-46.09
O=C(C1=C2CCCCN2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781362	0	39	-1.0	-57.82	308.77	5.17	-52.65
O=C(C1=C2CCCCN2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781362	1	39	-1.0	-57.85	308.83	5.17	-52.68
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C2)=N1	REAL300019781363	0	44	-1.0	-62.36	363.41	7.05	-55.31
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C2)=N1	REAL300019781363	1	44	-1.0	-62.37	363.35	7.06	-55.31
CCNC1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)S1	REAL300019781364	0	35	-1.0	-53.29	306.67	1.93	-51.36
CCNC1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)S1	REAL300019781364	1	35	-1.0	-53.37	306.57	1.93	-51.44
O=C(C1=CC=C(C2CC2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781365	0	38	-1.0	-53.52	308.60	5.90	-47.62
O=C(C1=CC=C(C2CC2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781365	1	38	-1.0	-53.52	308.66	5.91	-47.61
COC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CCCC1	REAL300019781366	0	41	-1.0	-55.13	320.17	4.46	-50.67
COC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CCCC1	REAL300019781366	1	41	-1.0	-55.15	320.25	4.47	-50.68
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781367	0	41	-1.0	-53.52	332.56	6.75	-46.77
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781367	1	41	-1.0	-53.52	332.62	6.75	-46.77
O=C(C1CC2=CC=CC=C2CO1)N1CCSCC1C1=N[N-]N=N1	REAL300019781368	0	39	-1.0	-56.18	316.48	5.13	-51.05
O=C(C1CC2=CC=CC=C2CO1)N1CCSCC1C1=NN=N[N-]1	REAL300019781368	1	39	-1.0	-56.19	316.55	5.14	-51.05
COC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CCCCC1	REAL300019781369	0	44	-1.0	-56.34	329.65	4.79	-51.55
COC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CCCCC1	REAL300019781369	1	44	-1.0	-56.40	329.70	4.80	-51.60
CC(CC1=CC=CO1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781370	0	37	-1.0	-51.55	307.48	4.55	-47.00
CC(CC1=CC=CO1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781370	1	37	-1.0	-51.53	307.54	4.56	-46.97
CC1CC2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC=C2O1	REAL300019781371	0	39	-1.0	-53.20	316.87	4.44	-48.76
CC1CC2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC=C2O1	REAL300019781371	1	39	-1.0	-53.24	316.94	4.44	-48.80
O=C(C1CC2(C1)CCCCC2)N1CCSCC1C1=N[N-]N=N1	REAL300019781372	0	44	-1.0	-53.91	334.22	6.10	-47.81
O=C(C1CC2(C1)CCCCC2)N1CCSCC1C1=NN=N[N-]1	REAL300019781372	1	44	-1.0	-53.88	334.29	6.10	-47.78
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019781373	0	37	-1.0	-53.27	321.40	6.78	-46.49
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019781373	1	37	-1.0	-53.25	321.34	6.77	-46.48
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCSCC1C1=NN=N[N-]1	REAL300019781374	0	37	-1.0	-56.99	323.35	6.06	-50.93
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCSCC1C1=N[N-]N=N1	REAL300019781374	1	37	-1.0	-57.06	323.29	6.05	-51.01
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300019781375	0	45	-1.0	-58.75	371.44	5.68	-53.07
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(C)N1C1=CN(C)N=C1	REAL300019781375	1	45	-1.0	-58.77	371.37	5.68	-53.09
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)S1	REAL300019781376	0	40	-1.0	-53.54	359.62	5.27	-48.27
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)S1	REAL300019781376	1	40	-1.0	-53.52	359.55	5.28	-48.24
COCC1=CSC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781377	0	35	-1.0	-54.75	308.56	2.72	-52.03
COCC1=CSC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781377	1	35	-1.0	-54.79	308.66	2.73	-52.06
CC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1CCCO1	REAL300019781378	0	41	-1.0	-50.86	318.15	3.59	-47.27
CC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CCCO1	REAL300019781378	1	41	-1.0	-50.81	318.22	3.58	-47.23
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781379	0	44	0.0	-77.70	348.46	4.37	-73.33
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781379	1	44	0.0	-77.65	348.53	4.36	-73.29
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781380	0	45	-1.0	-59.09	371.32	4.60	-54.49
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781380	1	45	-1.0	-59.07	371.25	4.60	-54.47
NC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC(Br)=N1	REAL300019781381	0	32	-1.0	-48.26	291.59	1.37	-46.89
NC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC(Br)=N1	REAL300019781381	1	32	-1.0	-48.23	291.54	1.37	-46.86
O=C(C1=NOC2=C1COCC2)N1CCSCC1C1=N[N-]N=N1	REAL300019781382	0	35	-1.0	-49.95	292.72	2.13	-47.82
O=C(C1=NOC2=C1COCC2)N1CCSCC1C1=NN=N[N-]1	REAL300019781382	1	35	-1.0	-49.97	292.79	2.14	-47.83
CC1=CN2C=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC2=N1	REAL300019781383	0	37	-1.0	-61.32	308.52	4.97	-56.35
CC1=CN2C=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC2=N1	REAL300019781383	1	37	-1.0	-61.33	308.58	4.98	-56.35
O=C(C1=CN(C2CC2)N=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781384	0	34	-1.0	-47.58	291.39	2.35	-45.23
O=C(C1=CN(C2CC2)N=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781384	1	34	-1.0	-47.60	291.32	2.35	-45.25
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019781385	0	39	-1.0	-58.78	327.98	2.73	-56.05
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019781385	1	39	-1.0	-58.79	328.04	2.74	-56.05
CNC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1F	REAL300019781386	0	36	-1.0	-50.96	300.16	2.72	-48.24
CNC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1F	REAL300019781386	1	36	-1.0	-50.95	300.23	2.73	-48.22
O=C(C1CCC2C(C1)C2(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019781387	0	38	-1.0	-58.01	305.42	5.01	-53.00
O=C(C1CCC2C(C1)C2(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019781387	1	38	-1.0	-58.04	305.49	5.04	-53.00
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781388	0	42	-1.0	-64.22	339.79	0.63	-63.59
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781388	1	42	-1.0	-64.24	339.88	0.65	-63.59
COC1=CC=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1OC(F)F	REAL300019781389	0	42	-1.0	-57.63	356.67	4.42	-53.21
COC1=CC=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1OC(F)F	REAL300019781389	1	42	-1.0	-57.67	356.73	4.42	-53.25
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CC(C)C1=NC=CN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781416	1	40	-1.0	-57.73	330.82	4.75	-52.98
CC(C)C1=[NH+]C=CN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781416	1	41	0.0	-53.18	329.54	5.35	-47.83
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CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781424	0	52	-1.0	-68.60	403.38	2.21	-66.39
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781424	1	52	-1.0	-68.59	403.41	2.23	-66.36
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CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781430	0	48	-1.0	-56.77	385.99	-0.04	-56.81
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781430	1	48	-1.0	-56.77	386.05	-0.05	-56.82
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COCCOCC[N@@H+](C)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781436	1	50	0.0	-65.81	391.98	3.30	-62.51
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CC(C(=O)N1CCSCC1C1=NN=N[N-]1)N1CSCCSC1	REAL300019781438	1	41	-1.0	-50.21	330.27	4.48	-45.73
O=C(CCN1CSCCSC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781439	0	41	-1.0	-53.14	342.11	3.04	-50.10
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NC(=O)C1=CN(CCC(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)NC1=O	REAL300019781440	0	41	-1.0	-53.59	350.29	-1.57	-55.16
NC(=O)C1=CN(CCC(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)NC1=O	REAL300019781440	1	41	-1.0	-53.59	350.36	-1.56	-55.15
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CC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=CO1	REAL300019781443	0	37	-1.0	-49.94	306.98	4.42	-45.52
CC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=CO1	REAL300019781443	1	37	-1.0	-49.94	307.05	4.41	-45.53
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CC1=CC=C(COC(C)C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781446	0	44	-1.0	-58.33	356.31	6.43	-51.90
CC1=CC=C(COC(C)C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781446	1	44	-1.0	-58.35	356.37	6.43	-51.92
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O=C(C1C2CCCCCCC21)N1CCSCC1C1=NN=N[N-]1	REAL300019781447	1	44	-1.0	-53.43	317.51	5.86	-47.57
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O=C(C1CCC(C2CC2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781449	1	44	-1.0	-53.30	338.79	6.36	-46.94
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CCCCCCCCC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781451	0	51	-1.0	-52.45	391.98	7.94	-44.51
CCCCCCCCC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781451	1	51	-1.0	-52.44	392.04	7.95	-44.49
CC(C)(C)OC(=O)NC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019781452	0	48	-1.0	-48.10	382.29	2.97	-45.13
CC(C)(C)OC(=O)NC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019781452	1	48	-1.0	-48.19	382.36	2.98	-45.21
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781453	0	54	-1.0	-68.69	410.81	5.86	-62.83
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781453	1	54	-1.0	-68.70	410.87	5.86	-62.84
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O=C(C1CCC2CCCC[N@H+]21)N1CCSCC1C1=NN=N[N-]1	REAL300019781454	1	44	0.0	-55.64	325.59	5.31	-50.33
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781455	0	42	-1.0	-63.77	362.56	4.63	-59.14
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781455	1	42	-1.0	-63.80	362.50	4.62	-59.18
COC1=CC=C(CNC(=O)C=CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781456	0	46	-1.0	-50.67	389.88	3.19	-47.48
COC1=CC=C(CNC(=O)C=CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781456	1	46	-1.0	-50.65	389.95	3.20	-47.45
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781457	0	39	-1.0	-55.45	336.70	5.10	-50.35
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781457	1	39	-1.0	-55.46	336.76	5.10	-50.36
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781458	0	35	-1.0	-46.70	321.52	4.18	-42.52
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781458	1	35	-1.0	-46.75	321.58	4.18	-42.57
COC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=C1Br	REAL300019781459	0	35	-1.0	-50.98	309.54	3.77	-47.21
COC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=C1Br	REAL300019781459	1	35	-1.0	-50.98	309.60	3.78	-47.20
O=C(C1C2CC3=CC=CC=C3C21)N1CCSCC1C1=N[N-]N=N1	REAL300019781460	0	39	-1.0	-53.72	314.49	6.65	-47.07
O=C(C1C2CC3=CC=CC=C3C21)N1CCSCC1C1=NN=N[N-]1	REAL300019781460	1	39	-1.0	-53.71	314.56	6.66	-47.05
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300019781461	0	38	-1.0	-49.02	326.11	4.38	-44.64
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300019781461	1	38	-1.0	-49.03	326.18	4.38	-44.65
O=C(C1COC2=CC(F)=CC=C2C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781462	0	39	-1.0	-47.95	324.47	4.72	-43.23
O=C(C1COC2=CC(F)=CC=C2C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781462	1	39	-1.0	-47.92	324.53	4.73	-43.19
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL300019781463	0	37	-1.0	-54.38	326.61	0.41	-53.97
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL300019781463	1	37	-1.0	-54.43	326.67	0.42	-54.01
CC1=CC=CC=C1COC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781464	0	44	-1.0	-60.09	357.64	6.55	-53.54
CC1=CC=CC=C1COC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781464	1	44	-1.0	-60.13	357.71	6.55	-53.58
CSC1=CC(C)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019781465	0	35	-1.0	-49.44	307.80	4.19	-45.25
CSC1=CC(C)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781465	1	35	-1.0	-49.46	307.85	4.18	-45.28
O=C(C=CC1=CC=CS1)N1CCSCC1C1=N[N-]N=N1	REAL300019781466	0	32	-1.0	-52.68	287.30	4.51	-48.17
O=C(C=CC1=CC=CS1)N1CCSCC1C1=NN=N[N-]1	REAL300019781466	1	32	-1.0	-52.66	287.37	4.52	-48.14
CC(C)C1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781467	0	40	-1.0	-55.22	320.08	5.74	-49.48
CC(C)C1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781467	1	40	-1.0	-55.20	320.14	5.74	-49.46
O=C(C1=CSC(C(F)(F)F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781468	0	31	-1.0	-52.29	291.50	4.05	-48.24
O=C(C1=CSC(C(F)(F)F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781468	1	31	-1.0	-52.32	291.56	4.04	-48.28
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781469	0	44	-1.0	-54.17	343.07	7.05	-47.12
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781469	1	44	-1.0	-54.19	343.13	7.05	-47.14
COCCCN1C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019781470	0	41	-1.0	-52.53	341.48	2.36	-50.17
COCCCN1C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019781470	1	41	-1.0	-52.57	341.37	2.36	-50.21
O=C(C1=CN(C2CC2)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781471	0	35	-1.0	-51.85	294.00	3.15	-48.70
O=C(C1=CN(C2CC2)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781471	1	35	-1.0	-51.84	293.92	3.14	-48.70
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NN1C1CCOCC1	REAL300019781472	0	45	-1.0	-55.59	360.23	3.80	-51.79
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NN1C1CCOCC1	REAL300019781472	1	45	-1.0	-55.61	360.30	3.80	-51.81
CN1C=C(N2CC(C(=O)N3CCSCC3C3=NN=N[N-]3)CC2=O)C=N1	REAL300019781473	0	42	-1.0	-53.64	345.56	2.84	-50.80
CN1C=C(N2CC(C(=O)N3CCSCC3C3=N[N-]N=N3)CC2=O)C=N1	REAL300019781473	1	42	-1.0	-53.66	345.49	2.84	-50.82
CC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=NC=C1	REAL300019781474	0	39	-1.0	-50.73	318.31	4.43	-46.30
CC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=NC=C1	REAL300019781474	1	39	-1.0	-50.69	318.38	4.42	-46.27
O=C(C1=C2C=CSC2=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781475	0	33	-1.0	-52.23	289.48	3.28	-48.95
O=C(C1=C2C=CSC2=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781475	1	33	-1.0	-52.23	289.42	3.27	-48.96
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781476	0	38	-1.0	-59.16	344.94	6.15	-53.01
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781476	1	38	-1.0	-59.17	345.01	6.14	-53.03
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781477	0	40	-1.0	-59.60	337.65	4.25	-55.35
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781477	1	40	-1.0	-59.60	337.58	4.25	-55.35
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCSCC1C1=N[N-]N=N1	REAL300019781478	0	37	-1.0	-51.08	340.03	6.36	-44.72
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCSCC1C1=NN=N[N-]1	REAL300019781478	1	37	-1.0	-51.09	340.11	6.36	-44.73
CC1=CC=CC=C1COCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781479	0	41	-1.0	-60.53	338.81	5.88	-54.65
CC1=CC=CC=C1COCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781479	1	41	-1.0	-60.54	338.88	5.88	-54.66
CC1=CC=CC(COCC(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781480	0	41	-1.0	-58.26	344.04	5.86	-52.40
CC1=CC=CC(COCC(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781480	1	41	-1.0	-58.22	344.11	5.85	-52.37
O=C(C1=C2SC=CC2=CC=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781481	0	33	-1.0	-56.18	295.44	4.24	-51.94
O=C(C1=C2SC=CC2=CC=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781481	1	33	-1.0	-56.13	295.38	4.21	-51.92
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781482	0	42	-1.0	-59.26	351.76	5.27	-53.99
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781482	1	42	-1.0	-59.27	351.82	5.27	-54.00
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCSCC1C1=N[N-]N=N1	REAL300019781483	0	40	-1.0	-69.92	315.00	2.99	-66.93
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCSCC1C1=NN=N[N-]1	REAL300019781483	1	40	-1.0	-69.91	315.06	3.00	-66.91
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019781484	0	37	-2.0	-97.02	328.73	-0.14	-97.16
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019781484	1	37	-2.0	-97.05	328.67	-0.13	-97.18
CS(=O)(=O)NC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019781484	1	38	-1.0	-55.40	328.80	0.01	-55.39
CS(=O)(=O)NC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019781484	1	38	-1.0	-55.40	328.74	0.01	-55.39
O=C(CN1C=CC(C(F)F)=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781485	0	34	-1.0	-60.34	303.41	3.15	-57.19
O=C(CN1C=CC(C(F)F)=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781485	1	34	-1.0	-60.35	303.48	3.15	-57.20
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019781486	0	37	-1.0	-51.27	318.20	3.42	-47.85
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019781486	1	37	-1.0	-51.26	318.14	3.42	-47.84
CC1=CN2C=CN=C2C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781487	0	37	-1.0	-56.86	304.71	5.77	-51.09
CC1=CN2C=CN=C2C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781487	1	37	-1.0	-56.81	304.77	5.76	-51.05
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781488	0	34	-1.0	-47.50	314.74	4.01	-43.49
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781488	1	34	-1.0	-47.48	314.69	4.02	-43.46
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781489	0	42	-1.0	-48.01	341.26	3.15	-44.86
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781489	1	42	-1.0	-48.00	341.20	3.16	-44.84
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781490	0	48	-1.0	-53.80	380.30	3.02	-50.78
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781490	1	48	-1.0	-53.81	380.36	3.02	-50.79
O=C(C1CCCC2(CC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781491	0	41	-1.0	-53.24	315.21	5.50	-47.74
O=C(C1CCCC2(CC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781491	1	41	-1.0	-53.27	315.28	5.52	-47.75
CCCN1N=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781492	0	37	-1.0	-49.78	304.86	3.32	-46.46
CCCN1N=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781492	1	37	-1.0	-49.78	304.80	3.31	-46.47
CC1=CC=C(COCC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781493	0	41	-1.0	-58.21	344.04	5.87	-52.34
CC1=CC=C(COCC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781493	1	41	-1.0	-58.20	344.11	5.86	-52.34
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCSCC1C1=N[N-]N=N1	REAL300019781494	0	34	-1.0	-49.63	303.37	3.09	-46.54
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCSCC1C1=NN=N[N-]1	REAL300019781494	1	34	-1.0	-49.59	303.45	3.09	-46.50
O=C(C1=CC(C(F)F)=CC=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019781495	0	34	-1.0	-59.22	299.32	4.79	-54.43
O=C(C1=CC(C(F)F)=CC=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019781495	1	34	-1.0	-59.24	299.38	4.80	-54.44
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781496	0	45	-1.0	-53.62	357.82	5.02	-48.60
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781496	1	45	-1.0	-53.60	357.89	5.03	-48.57
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781497	0	38	-1.0	-56.55	326.98	4.95	-51.60
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781497	1	38	-1.0	-56.49	326.91	4.94	-51.55
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCSCC1C1=NN=N[N-]1	REAL300019781498	0	33	-1.0	-52.14	308.06	4.09	-48.05
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCSCC1C1=N[N-]N=N1	REAL300019781498	1	33	-1.0	-52.10	308.00	4.07	-48.03
COC1=CC(CCC(=O)N2CCSCC2C2=N[N-]N=N2)=CC(OC)=C1O	REAL300019781499	0	46	-1.0	-53.80	379.03	2.75	-51.05
COC1=CC(CCC(=O)N2CCSCC2C2=NN=N[N-]2)=CC(OC)=C1O	REAL300019781499	1	46	-1.0	-53.79	379.10	2.75	-51.04
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O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCSCC1C1=NN=N[N-]1	REAL300019781500	1	41	-1.0	-53.14	345.63	4.19	-48.95
COC1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1C	REAL300019781501	0	38	-1.0	-54.82	307.30	4.03	-50.79
COC1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1C	REAL300019781501	1	38	-1.0	-54.88	307.37	4.06	-50.82
CCC1=CNC(=O)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781502	0	37	-1.0	-61.18	304.23	2.38	-58.80
CCC1=CNC(=O)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781502	1	37	-1.0	-61.20	304.30	2.37	-58.83
O=C(C(O)CC1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781503	0	38	-1.0	-51.75	312.44	3.15	-48.60
O=C(C(O)CC1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781503	1	38	-1.0	-51.82	312.51	3.15	-48.67
CN1N=CC(Cl)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781504	0	31	-1.0	-47.47	285.92	2.57	-44.90
CN1N=CC(Cl)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781504	1	31	-1.0	-47.50	285.86	2.56	-44.94
CC1=CC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=CC(C)=C1	REAL300019781505	0	40	-1.0	-52.74	330.97	6.25	-46.49
CC1=CC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=CC(C)=C1	REAL300019781505	1	40	-1.0	-52.74	331.04	6.24	-46.50
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781506	0	41	-1.0	-49.34	353.16	4.17	-45.17
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781506	1	41	-1.0	-49.29	353.10	4.18	-45.11
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781507	0	43	-1.0	-57.27	337.39	4.32	-52.95
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781507	1	43	-1.0	-57.27	337.45	4.32	-52.95
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781508	0	34	-1.0	-53.25	311.19	4.13	-49.12
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781508	1	34	-1.0	-53.24	311.11	4.13	-49.11
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781509	0	41	-1.0	-53.44	353.47	4.11	-49.33
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781509	1	41	-1.0	-53.43	353.42	4.11	-49.32
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781510	0	42	-1.0	-57.27	344.63	4.28	-52.99
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781510	1	42	-1.0	-57.23	344.70	4.28	-52.95
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781511	0	42	-1.0	-54.51	345.47	4.30	-50.21
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781511	1	42	-1.0	-54.57	345.54	4.28	-50.29
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781512	0	35	-1.0	-53.50	296.38	1.51	-51.99
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781512	1	35	-1.0	-53.54	296.43	1.50	-52.04
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781513	0	37	-1.0	-60.53	327.79	5.34	-55.19
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781513	1	37	-1.0	-60.57	327.71	5.34	-55.23
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCSCC3C3=N[N-]N=N3)[C@@H]2C1	REAL300019781514	0	52	-1.0	-54.99	402.67	5.49	-49.50
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCSCC3C3=NN=N[N-]3)[C@@H]2C1	REAL300019781514	1	52	-1.0	-54.98	402.74	5.50	-49.48
COC(=O)C=CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019781515	0	38	-1.0	-50.51	335.25	4.39	-46.12
COC(=O)C=CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781515	1	38	-1.0	-50.49	335.32	4.39	-46.10
CC(C)(C)C1=CC=C(C=CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781516	0	47	-1.0	-53.90	373.13	7.74	-46.16
CC(C)(C)C1=CC=C(C=CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781516	1	47	-1.0	-53.90	373.20	7.74	-46.16
CCN1N=CC(Cl)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781517	0	34	-1.0	-47.86	305.43	3.32	-44.54
CCN1N=CC(Cl)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781517	1	34	-1.0	-47.86	305.37	3.30	-44.56
COC(=O)C1=C(C)C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019781518	0	37	-1.0	-46.50	319.58	3.60	-42.90
COC(=O)C1=C(C)C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781518	1	37	-1.0	-46.54	319.65	3.61	-42.93
COC(=O)C1=CN(CC(=O)N2CCSCC2C2=NN=N[N-]2)N=C1	REAL300019781519	0	37	-1.0	-60.23	325.19	2.99	-57.24
COC(=O)C1=CN(CC(=O)N2CCSCC2C2=N[N-]N=N2)N=C1	REAL300019781519	1	37	-1.0	-60.21	325.11	3.00	-57.21
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781520	0	56	-1.0	-47.37	421.16	4.37	-43.00
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781520	1	56	-1.0	-47.41	421.21	4.38	-43.03
C[C@@H](CC(=O)N1CCSCC1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019781521	0	47	-1.0	-60.45	374.01	3.00	-57.45
C[C@@H](CC(=O)N1CCSCC1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019781521	1	47	-1.0	-60.50	374.08	2.99	-57.51
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781522	0	49	-1.0	-56.36	382.24	3.25	-53.11
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781522	1	49	-1.0	-56.36	382.31	3.27	-53.09
NC(=O)C1=CC=C(C=CC(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019781523	0	36	-1.0	-52.96	319.51	0.51	-52.45
NC(=O)C1=CC=C(C=CC(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781523	1	36	-1.0	-52.96	319.58	0.51	-52.45
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL300019781524	0	36	-1.0	-51.84	319.39	-2.10	-53.94
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL300019781524	1	36	-1.0	-51.82	319.46	-2.09	-53.91
CSC1=CC=C(O)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781525	0	36	-1.0	-52.14	309.63	2.80	-49.34
CSC1=CC=C(O)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781525	1	36	-1.0	-52.15	309.69	2.81	-49.34
CCCCC(C(=O)N1CCSCC1C1=N[N-]N=N1)C(C)C	REAL300019781526	0	45	-1.0	-52.64	334.78	5.80	-46.84
CCCCC(C(=O)N1CCSCC1C1=NN=N[N-]1)C(C)C	REAL300019781526	1	45	-1.0	-52.69	334.85	5.82	-46.87
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781527	0	35	-1.0	-47.79	309.57	2.70	-45.09
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781527	1	35	-1.0	-47.82	309.62	2.69	-45.13
CC1=CC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300019781528	0	48	-1.0	-58.27	394.68	8.91	-49.36
CC1=CC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300019781528	1	48	-1.0	-58.27	394.75	8.90	-49.37
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C21	REAL300019781529	0	39	-1.0	-44.77	336.66	3.50	-41.27
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C21	REAL300019781529	1	39	-1.0	-44.78	336.62	3.49	-41.29
O=C(C1CCC2(CC2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781530	0	41	-1.0	-53.24	320.21	5.60	-47.64
O=C(C1CCC2(CC2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781530	1	41	-1.0	-53.30	320.25	5.62	-47.68
O=C(C1CCC2=CC(F)=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019781531	0	38	-1.0	-51.90	310.60	5.77	-46.13
O=C(C1CCC2=CC(F)=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019781531	1	38	-1.0	-51.92	310.68	5.77	-46.15
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1C	REAL300019781532	0	44	-1.0	-55.39	354.07	7.43	-47.96
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1C	REAL300019781532	1	44	-1.0	-55.42	354.14	7.44	-47.98
CCOCCN1C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019781533	0	41	-1.0	-51.04	341.83	2.55	-48.49
CCOCCN1C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019781533	1	41	-1.0	-51.03	341.73	2.55	-48.48
O=C(C1CCCC1CC1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781534	0	47	-1.0	-55.09	363.10	8.39	-46.70
O=C(C1CCCC1CC1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781534	1	47	-1.0	-55.16	363.17	8.38	-46.78
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781535	0	44	-1.0	-52.86	362.05	6.28	-46.58
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781535	1	44	-1.0	-52.91	361.98	6.28	-46.63
CN1C=C(Cl)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781536	0	31	-1.0	-55.32	280.79	3.03	-52.29
CN1C=C(Cl)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781536	1	31	-1.0	-55.34	280.74	3.01	-52.33
CCOC1=CC=CC(C=CC(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781537	0	42	-1.0	-57.33	348.37	5.64	-51.69
CCOC1=CC=CC(C=CC(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781537	1	42	-1.0	-57.35	348.43	5.64	-51.71
COC1=CC=C(C=CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781538	0	39	-1.0	-55.17	326.50	4.73	-50.44
COC1=CC=C(C=CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781538	1	39	-1.0	-55.13	326.56	4.74	-50.39
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781539	0	34	-1.0	-51.61	310.75	5.50	-46.11
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781539	1	34	-1.0	-51.62	310.82	5.48	-46.14
O=C(C1=C(Cl)SC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781540	0	28	-1.0	-54.19	265.34	3.37	-50.82
O=C(C1=C(Cl)SC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781540	1	28	-1.0	-54.21	265.39	3.38	-50.83
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781541	0	38	-1.0	-53.23	340.62	5.14	-48.09
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781541	1	38	-1.0	-53.27	340.68	5.12	-48.15
CC(=CC(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=CS1	REAL300019781542	0	35	-1.0	-49.03	305.20	5.36	-43.67
CC(=CC(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=CS1	REAL300019781542	1	35	-1.0	-49.06	305.26	5.38	-43.68
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781543	0	48	-1.0	-54.03	385.05	3.92	-50.11
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781543	1	48	-1.0	-54.04	385.13	3.94	-50.10
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781544	0	41	-1.0	-57.59	340.09	2.89	-54.70
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781544	1	41	-1.0	-57.58	340.02	2.88	-54.70
CN1C=C(CCC(=O)N2CCSCC2C2=N[N-]N=N2)N=N1	REAL300019781545	0	36	-1.0	-54.79	306.34	2.22	-52.57
CN1C=C(CCC(=O)N2CCSCC2C2=NN=N[N-]2)N=N1	REAL300019781545	1	36	-1.0	-54.83	306.41	2.20	-52.63
CCOCCOCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781546	0	44	-1.0	-59.30	360.65	2.99	-56.31
CCOCCOCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781546	1	44	-1.0	-59.29	360.72	2.98	-56.31
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COC1=CC=CC(C(OC)C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781548	0	42	-1.0	-55.23	343.91	4.09	-51.14
COC1=CC=CC(C(OC)C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781548	1	42	-1.0	-55.23	343.97	4.09	-51.14
COCCOCCOCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781549	0	48	-1.0	-60.56	394.27	2.35	-58.21
COCCOCCOCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781549	1	48	-1.0	-60.62	394.35	2.34	-58.28
COC1=CC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2C=C1OC	REAL300019781550	0	45	-1.0	-57.28	364.28	5.29	-51.99
COC1=CC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2C=C1OC	REAL300019781550	1	45	-1.0	-57.26	364.35	5.31	-51.95
CSC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(C)O1	REAL300019781551	0	35	-1.0	-49.01	307.76	4.02	-44.99
CSC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(C)O1	REAL300019781551	1	35	-1.0	-49.04	307.82	4.04	-45.00
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CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781554	0	44	-2.0	-127.27	374.87	5.02	-122.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781554	1	44	-2.0	-127.28	374.93	5.04	-122.24
CC(=O)NC1=CNC(=O)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781555	0	38	-1.0	-70.13	319.50	-0.12	-70.25
CC(=O)NC1=CNC(=O)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781555	1	38	-1.0	-70.13	319.57	-0.12	-70.25
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781556	0	34	-2.0	-85.31	304.55	1.37	-83.94
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O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781556	1	34	-2.0	-85.30	304.54	1.39	-83.91
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCSCC1C1=NN=N[N-]1	REAL300019781557	0	43	-1.0	-66.46	373.60	3.84	-62.62
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCSCC1C1=N[N-]N=N1	REAL300019781557	1	43	-1.0	-66.43	373.53	3.84	-62.59
O=C(C1=C(C(F)(F)F)C=NN1)N1CCSCC1C1=N[N-]N=N1	REAL300019781558	0	31	-1.0	-50.89	280.09	1.81	-49.08
O=C(C1=C(C(F)(F)F)C=NN1)N1CCSCC1C1=NN=N[N-]1	REAL300019781558	1	31	-1.0	-50.89	280.17	1.80	-49.09
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O=C(CCCN1C(=O)[N-]NC1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781560	0	37	-2.0	-107.22	322.19	-0.55	-107.77
O=C(CCCN1C(=O)[N-]NC1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781560	1	37	-2.0	-107.24	322.26	-0.56	-107.80
CN1C=CC(NC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2)=N1	REAL300019781561	0	43	-1.0	-58.06	353.09	4.86	-53.20
CN1C=CC(NC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2)=N1	REAL300019781561	1	43	-1.0	-58.06	353.02	4.85	-53.21
CC1=NOC(C2(C(=O)N3CCSCC3C3=N[N-]N=N3)CC2)=C1	REAL300019781562	0	37	-1.0	-47.29	314.18	4.28	-43.01
CC1=NOC(C2(C(=O)N3CCSCC3C3=NN=N[N-]3)CC2)=C1	REAL300019781562	1	37	-1.0	-47.28	314.24	4.30	-42.98
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781563	0	45	-1.0	-49.73	359.55	4.10	-45.63
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781563	1	45	-1.0	-49.69	359.61	4.10	-45.59
O=C(C1CCCC2CCC[N@@H+]21)N1CCSCC1C1=NN=N[N-]1	REAL300019781564	0	44	0.0	-52.81	328.08	5.34	-47.47
O=C(C1CCCC2CCC[N@H+]21)N1CCSCC1C1=NN=N[N-]1	REAL300019781564	1	44	0.0	-55.18	313.19	4.84	-50.34
CC1CN(C)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019781565	0	40	-1.0	-55.83	315.84	1.03	-54.80
CC1CN(C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781565	1	40	-1.0	-55.80	315.91	1.04	-54.76
CC1C[N@H+](C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781565	1	41	0.0	-82.83	307.74	2.96	-79.87
CC1C[N@@H+](C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781565	1	41	0.0	-81.94	307.25	3.18	-78.76
CN1C=NC2=CN=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C21	REAL300019781566	0	36	-1.0	-47.20	301.72	3.45	-43.75
CN1C=NC2=CN=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C21	REAL300019781566	1	36	-1.0	-47.20	301.80	3.46	-43.74
C[N@@H+]1CCCC1CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781567	0	43	0.0	-71.91	331.16	5.17	-66.74
C[N@H+]1CCCC1CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781567	1	43	0.0	-70.29	327.49	5.01	-65.28
C[N@@H+]1CCCC1CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781567	1	43	0.0	-71.97	331.23	5.17	-66.80
C[N@H+]1CCCC1CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781567	1	43	0.0	-70.24	327.56	5.00	-65.24
O=C(C=CCN1C=NC=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781568	0	34	-1.0	-61.65	297.46	4.95	-56.70
O=C(C=CCN1C=NC=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781568	1	34	-1.0	-61.65	297.39	4.94	-56.71
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781569	0	35	-1.0	-62.47	296.65	3.83	-58.64
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781569	1	35	-1.0	-62.52	296.72	3.83	-58.69
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781570	0	40	-1.0	-54.73	332.10	5.07	-49.66
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781570	1	40	-1.0	-54.70	332.16	5.06	-49.64
O=C(CCC1=NN=C(C2CC2)O1)N1CCSCC1C1=N[N-]N=N1	REAL300019781571	0	39	-1.0	-51.95	333.06	0.31	-51.64
O=C(CCC1=NN=C(C2CC2)O1)N1CCSCC1C1=NN=N[N-]1	REAL300019781571	1	39	-1.0	-51.91	333.13	0.31	-51.60
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781572	0	49	-1.0	-55.64	390.36	0.49	-55.15
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781572	1	49	-1.0	-55.59	390.43	0.49	-55.10
CC(=O)NC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=N1	REAL300019781573	0	37	-1.0	-55.38	312.82	2.45	-52.93
CC(=O)NC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=N1	REAL300019781573	1	37	-1.0	-55.34	312.76	2.43	-52.91
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781574	0	51	-1.0	-52.56	389.29	6.56	-46.00
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781574	1	51	-1.0	-52.58	389.35	6.56	-46.02
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781575	0	40	-1.0	-58.68	338.56	6.92	-51.76
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781575	1	40	-1.0	-58.63	338.49	6.91	-51.72
O=C(C1=NC=C2C(F)=CC=CN21)N1CCSCC1C1=NN=N[N-]1	REAL300019781576	0	34	-1.0	-49.20	294.54	5.36	-43.84
O=C(C1=NC=C2C(F)=CC=CN21)N1CCSCC1C1=N[N-]N=N1	REAL300019781576	1	34	-1.0	-49.20	294.47	5.36	-43.84
O=C(C=CC=C(Cl)Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019781577	0	29	-1.0	-53.07	283.86	4.17	-48.90
O=C(C=CC=C(Cl)Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019781577	1	29	-1.0	-53.05	283.93	4.17	-48.88
CC1=C(CO)C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019781578	0	35	-1.0	-57.63	298.69	0.40	-57.23
CC1=C(CO)C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781578	1	35	-1.0	-57.61	298.76	0.40	-57.21
CN1CCCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1=O	REAL300019781579	0	41	-1.0	-60.48	317.44	3.14	-57.34
CN1CCCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1=O	REAL300019781579	1	41	-1.0	-60.43	317.51	3.13	-57.30
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781580	0	39	-1.0	-58.41	337.22	4.03	-54.38
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781580	1	39	-1.0	-58.39	337.30	4.04	-54.35
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781581	0	42	-1.0	-59.21	332.05	0.21	-59.00
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781581	1	42	-1.0	-59.24	332.11	0.21	-59.03
NC1=C2N=CN(CCC(=O)N3CCSCC3C3=NN=N[N-]3)C2=NC=N1	REAL300019781582	0	40	-1.0	-52.18	341.72	4.29	-47.89
NC1=C2N=CN(CCC(=O)N3CCSCC3C3=N[N-]N=N3)C2=NC=N1	REAL300019781582	1	40	-1.0	-52.17	341.65	4.29	-47.88
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCSCC1C1=N[N-]N=N1	REAL300019781583	0	36	-1.0	-54.26	323.22	0.45	-53.81
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCSCC1C1=NN=N[N-]1	REAL300019781583	1	36	-1.0	-54.31	323.29	0.46	-53.85
O=C(C1=CNN=C1I)N1CCSCC1C1=N[N-]N=N1	REAL300019781584	0	28	-1.0	-53.14	268.62	1.20	-51.94
O=C(C1=CNN=C1I)N1CCSCC1C1=NN=N[N-]1	REAL300019781584	1	28	-1.0	-53.13	268.68	1.21	-51.92
C[N@H+](CC(=O)N1CCSCC1C1=N[N-]N=N1)CC(C)(C)C	REAL300019781585	0	45	0.0	-57.59	332.18	5.29	-52.30
C[N@@H+](CC(=O)N1CCSCC1C1=N[N-]N=N1)CC(C)(C)C	REAL300019781585	1	45	0.0	-57.40	333.71	5.26	-52.14
C[N@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)CC(C)(C)C	REAL300019781585	1	45	0.0	-57.59	332.23	5.32	-52.27
C[N@@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)CC(C)(C)C	REAL300019781585	1	45	0.0	-57.42	333.77	5.27	-52.15
CN1C=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC1=O	REAL300019781586	0	33	-1.0	-62.57	285.19	3.20	-59.37
CN1C=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC1=O	REAL300019781586	1	33	-1.0	-62.54	285.10	3.21	-59.33
O=C(CC=CCC1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781587	0	41	-1.0	-55.32	343.73	7.13	-48.19
O=C(CC=CCC1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781587	1	41	-1.0	-55.31	343.79	7.14	-48.17
CN1CCOC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1=O	REAL300019781588	0	36	-1.0	-56.91	293.23	1.11	-55.80
CN1CCOC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1=O	REAL300019781588	1	36	-1.0	-56.92	293.30	1.10	-55.82
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781589	0	53	-1.0	-50.18	402.93	2.57	-47.61
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781589	1	53	-1.0	-50.14	403.00	2.56	-47.58
C#CCN(CC(=O)N1CCSCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019781590	0	46	-1.0	-56.23	381.13	5.48	-50.75
C#CCN(CC(=O)N1CCSCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019781590	1	46	-1.0	-56.24	381.20	5.48	-50.76
O=C(CC1CCCS1(=O)=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781591	0	37	-1.0	-72.90	309.56	0.80	-72.10
O=C(CC1CCCS1(=O)=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781591	1	37	-1.0	-72.96	309.63	0.80	-72.16
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CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1=CN=CC=N1	REAL300019781605	1	35	-1.0	-53.50	293.25	1.81	-51.69
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CC1=NC(C2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)S2)=CS1	REAL300019781617	0	37	-1.0	-52.86	341.85	4.50	-48.36
CC1=NC(C2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)S2)=CS1	REAL300019781617	1	37	-1.0	-52.87	341.78	4.49	-48.38
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CCC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C(C)(C)C	REAL300019781620	0	45	-1.0	-51.04	323.83	5.40	-45.64
CCC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C(C)(C)C	REAL300019781620	1	45	-1.0	-51.08	323.89	5.41	-45.67
CCC1=CC=C(F)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781621	0	37	-1.0	-49.59	305.96	5.30	-44.29
CCC1=CC=C(F)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781621	1	37	-1.0	-49.58	306.02	5.32	-44.26
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COCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CS1	REAL300019781623	0	35	-1.0	-54.31	301.86	2.62	-51.69
COCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CS1	REAL300019781623	1	35	-1.0	-54.38	301.92	2.62	-51.76
CN1C=CC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C21	REAL300019781624	0	38	-1.0	-56.70	313.39	5.56	-51.14
CN1C=CC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C21	REAL300019781624	1	38	-1.0	-56.71	313.32	5.56	-51.15
COC(=O)C1=NN(C)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781625	0	37	-1.0	-46.47	318.33	2.22	-44.25
COC(=O)C1=NN(C)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781625	1	37	-1.0	-46.51	318.25	2.20	-44.31
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C[C@H]1C	REAL300019781626	0	41	-1.0	-61.86	334.87	4.02	-57.84
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C[C@H]1C	REAL300019781626	1	41	-1.0	-61.83	334.94	4.02	-57.81
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019781627	0	47	-1.0	-56.13	381.35	5.63	-50.50
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019781627	1	47	-1.0	-56.13	381.42	5.63	-50.50
O=C(C=CC1=CC=C(Cl)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019781628	0	32	-1.0	-50.22	304.31	5.13	-45.09
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CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCSCC1C1=N[N-]N=N1)OC2=O	REAL300019781631	0	44	-1.0	-46.95	336.47	4.50	-42.45
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCSCC1C1=NN=N[N-]1)OC2=O	REAL300019781631	1	44	-1.0	-46.92	336.54	4.49	-42.43
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300019781632	0	41	-1.0	-51.18	342.57	6.51	-44.67
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300019781632	1	41	-1.0	-51.18	342.64	6.52	-44.66
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CC1=CN(CC(=O)N2CCSCC2C2=NN=N[N-]2)N=C1C(F)(F)F	REAL300019781635	0	37	-1.0	-62.50	326.87	3.80	-58.70
CC1=CN(CC(=O)N2CCSCC2C2=N[N-]N=N2)N=C1C(F)(F)F	REAL300019781635	1	37	-1.0	-62.49	326.81	3.81	-58.68
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019781636	0	41	-1.0	-55.15	337.05	6.89	-48.26
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019781636	1	41	-1.0	-55.19	337.11	6.90	-48.29
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COC1=CC(CO)=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781642	0	39	-1.0	-60.70	320.29	1.22	-59.48
COC1=CC(CO)=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781642	1	39	-1.0	-60.71	320.36	1.23	-59.48
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NC1=C2N=CN(CCCC(=O)N3CCSCC3C3=NN=N[N-]3)C2=NC=N1	REAL300019781644	0	43	-1.0	-64.89	363.21	5.10	-59.79
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CCOC(=O)C1CCC[N@H+](CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781663	1	49	0.0	-64.73	375.97	6.15	-58.58
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781663	1	49	0.0	-57.38	374.58	5.54	-51.84
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CN1CC[N@H+](C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781667	0	45	0.0	-59.41	330.90	2.43	-56.98
CN1CC[N@@H+](C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781667	1	45	0.0	-59.67	332.49	2.55	-57.12
CN1CC[N@H+](C)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781667	1	45	0.0	-59.38	330.84	2.43	-56.95
CN1CC[N@@H+](C)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781667	1	45	0.0	-59.62	332.44	2.53	-57.09
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CC1=NC=C2CC(C(=O)N3CCSCC3C3=N[N-]N=N3)CCC2=N1	REAL300019783204	0	42	-1.0	-52.09	334.69	4.25	-47.84
CC1=NC=C2CC(C(=O)N3CCSCC3C3=NN=N[N-]3)CCC2=N1	REAL300019783204	1	42	-1.0	-52.10	334.76	4.27	-47.83
CC1=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300019783205	0	37	-1.0	-53.66	327.97	4.67	-48.99
CC1=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300019783205	1	37	-1.0	-53.67	328.04	4.67	-49.00
CCC1=NC=C2CC(C(=O)N3CCSCC3C3=N[N-]N=N3)CCC2=N1	REAL300019783206	0	45	-1.0	-51.77	359.56	4.97	-46.80
CCC1=NC=C2CC(C(=O)N3CCSCC3C3=NN=N[N-]3)CCC2=N1	REAL300019783206	1	45	-1.0	-51.79	359.63	4.98	-46.81
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O=C(N1CCSCC1C1=NN=N[N-]1)C(F)(F)OC1=CC=CC=C1	REAL300019783207	1	35	-1.0	-49.94	303.34	4.70	-45.24
CC1=CN(CC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2)N=C1	REAL300019783208	0	44	-1.0	-60.06	365.36	6.15	-53.91
CC1=CN(CC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2)N=C1	REAL300019783208	1	44	-1.0	-60.09	365.29	6.14	-53.95
COCCC(C)(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783209	0	43	-1.0	-49.53	329.24	3.39	-46.14
COCCC(C)(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783209	1	43	-1.0	-49.50	329.30	3.38	-46.12
O=C(C1=COC(C(F)F)=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783210	0	30	-1.0	-48.41	274.47	0.79	-47.62
O=C(C1=COC(C(F)F)=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783210	1	30	-1.0	-48.39	274.54	0.79	-47.60
O=C(CCC1=CC=C(Br)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783211	0	34	-1.0	-49.44	321.46	5.55	-43.89
O=C(CCC1=CC=C(Br)S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783211	1	34	-1.0	-49.47	321.53	5.55	-43.92
CC(C)(CC(=O)N1CCSCC1C1=N[N-]N=N1)C(C)(F)F	REAL300019783212	0	39	-1.0	-45.26	305.09	4.39	-40.87
CC(C)(CC(=O)N1CCSCC1C1=NN=N[N-]1)C(C)(F)F	REAL300019783212	1	39	-1.0	-45.28	305.15	4.38	-40.90
CN1C=CC(C23CC(CC2)C3C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019783213	0	45	-1.0	-60.69	358.06	5.45	-55.24
CN1C=CC(C23CC(CC2)C3C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019783213	1	45	-1.0	-60.69	357.99	5.45	-55.24
CC1=CC2=C(C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)N2CC2CC2)S1	REAL300019783214	0	45	-1.0	-50.34	378.84	7.81	-42.53
CC1=CC2=C(C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)N2CC2CC2)S1	REAL300019783214	1	45	-1.0	-50.35	378.90	7.83	-42.52
O=C(CCC=CBr)N1CCSCC1C1=N[N-]N=N1	REAL300019783215	0	31	-1.0	-49.94	283.93	3.99	-45.95
O=C(CCC=CBr)N1CCSCC1C1=NN=N[N-]1	REAL300019783215	1	31	-1.0	-49.93	284.00	3.99	-45.94
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(C)C=N1	REAL300019783216	0	36	-1.0	-49.86	296.17	3.51	-46.35
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(C)C=N1	REAL300019783216	1	36	-1.0	-49.85	296.23	3.54	-46.31
CC1=CC(F)=CC(C(C)C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783217	0	40	-1.0	-57.45	326.63	5.93	-51.52
CC1=CC(F)=CC(C(C)C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783217	1	40	-1.0	-57.46	326.69	5.93	-51.53
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783218	0	37	-1.0	-50.81	323.10	3.00	-47.81
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783218	1	37	-1.0	-50.83	323.04	2.99	-47.84
CC1(C)CCC2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300019783219	0	46	-1.0	-54.78	367.39	5.83	-48.95
CC1(C)CCC2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C(Cl)N=C2C1	REAL300019783219	1	46	-1.0	-54.78	367.45	5.84	-48.94
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783220	0	40	-1.0	-52.25	336.81	6.35	-45.90
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783220	1	40	-1.0	-52.27	336.85	6.36	-45.91
O=C(C1CCCC2=CC=NN21)N1CCSCC1C1=N[N-]N=N1	REAL300019783221	0	38	-1.0	-52.05	304.44	3.62	-48.43
O=C(C1CCCC2=CC=NN21)N1CCSCC1C1=NN=N[N-]1	REAL300019783221	1	38	-1.0	-52.05	304.53	3.63	-48.42
O=C(COC1=CC=CC=C1C(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783222	0	38	-1.0	-61.48	327.02	5.68	-55.80
O=C(COC1=CC=CC=C1C(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783222	1	38	-1.0	-61.48	327.09	5.67	-55.81
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783223	0	38	-1.0	-59.49	319.41	6.01	-53.48
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783223	1	38	-1.0	-59.46	319.47	6.00	-53.46
O=C(C1=CN=C2CCCC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783224	0	37	-1.0	-51.62	299.93	3.79	-47.83
O=C(C1=CN=C2CCCC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783224	1	37	-1.0	-51.67	299.99	3.79	-47.88
CC1=NC(C2CC2)=NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783225	0	39	-1.0	-47.39	320.58	4.29	-43.10
CC1=NC(C2CC2)=NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783225	1	39	-1.0	-47.45	320.63	4.30	-43.15
CCOC1=C2C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)SC2=NC=C1	REAL300019783226	0	40	-1.0	-55.74	345.67	3.67	-52.07
CCOC1=C2C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)SC2=NC=C1	REAL300019783226	1	40	-1.0	-55.73	345.59	3.67	-52.06
CC1(C)CCOC1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783227	0	41	-1.0	-58.02	318.32	3.76	-54.26
CC1(C)CCOC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783227	1	41	-1.0	-57.98	318.39	3.76	-54.22
CC1=NN=C(CCC(=O)N2CCSCC2C2=N[N-]N=N2)N1C	REAL300019783228	0	39	-1.0	-55.39	324.94	4.58	-50.81
CC1=NN=C(CCC(=O)N2CCSCC2C2=NN=N[N-]2)N1C	REAL300019783228	1	39	-1.0	-55.40	325.01	4.57	-50.83
CCC1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(C)=N1	REAL300019783229	0	38	-1.0	-47.06	311.49	3.21	-43.85
CCC1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(C)=N1	REAL300019783229	1	38	-1.0	-47.06	311.54	3.21	-43.85
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783230	0	46	-1.0	-47.30	364.39	3.27	-44.03
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783230	1	46	-1.0	-47.31	364.45	3.30	-44.01
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCSCC1C1=N[N-]N=N1	REAL300019783231	0	42	-1.0	-55.63	316.94	3.59	-52.04
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCSCC1C1=NN=N[N-]1	REAL300019783231	1	42	-1.0	-55.62	317.01	3.59	-52.03
O=C(C1CC2CC1C1C2C1(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783232	0	39	-1.0	-51.01	298.95	5.08	-45.93
O=C(C1CC2CC1C1C2C1(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783232	1	39	-1.0	-51.04	299.02	5.08	-45.96
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCSCC1C1=NN=N[N-]1	REAL300019783233	0	41	-1.0	-53.98	339.55	4.98	-49.00
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCSCC1C1=N[N-]N=N1	REAL300019783233	1	41	-1.0	-53.94	339.48	4.97	-48.97
O=C(C1CCC2(CC1)COCCO2)N1CCSCC1C1=N[N-]N=N1	REAL300019783234	0	46	-1.0	-57.22	342.76	3.27	-53.95
O=C(C1CCC2(CC1)COCCO2)N1CCSCC1C1=NN=N[N-]1	REAL300019783234	1	46	-1.0	-57.24	342.84	3.26	-53.98
O=C(C1=CC=NC2=NC=CN=C12)N1CCSCC1C1=NN=N[N-]1	REAL300019783235	0	34	-1.0	-61.68	289.99	1.60	-60.08
O=C(C1=CC=NC2=NC=CN=C12)N1CCSCC1C1=N[N-]N=N1	REAL300019783235	1	34	-1.0	-61.69	289.93	1.58	-60.11
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783236	0	34	-1.0	-50.34	317.14	5.35	-44.99
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783236	1	34	-1.0	-50.35	317.21	5.34	-45.01
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCSCC1C1=N[N-]N=N1	REAL300019783237	0	42	-1.0	-53.55	346.45	6.88	-46.67
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCSCC1C1=NN=N[N-]1	REAL300019783237	1	42	-1.0	-53.53	346.51	6.87	-46.66
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783238	0	37	-1.0	-64.95	322.07	-2.38	-67.33
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783238	1	37	-1.0	-65.01	322.00	-2.38	-67.39
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783239	0	38	-1.0	-57.16	302.86	5.04	-52.12
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783239	1	38	-1.0	-57.19	302.92	5.04	-52.15
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NC(C)=N1	REAL300019783240	0	35	-1.0	-48.80	296.52	3.34	-45.46
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NC(C)=N1	REAL300019783240	1	35	-1.0	-48.91	296.59	3.33	-45.58
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCSCC1C1=N[N-]N=N1	REAL300019783241	0	39	-1.0	-59.60	321.97	1.48	-58.12
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCSCC1C1=NN=N[N-]1	REAL300019783241	1	39	-1.0	-59.63	322.04	1.49	-58.14
O=C(C1=NNC2=CC=C(F)C=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783242	0	34	-1.0	-58.73	296.12	3.23	-55.50
O=C(C1=NNC2=CC=C(F)C=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783242	1	34	-1.0	-58.71	296.06	3.22	-55.49
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019783243	0	35	-1.0	-47.02	306.41	2.55	-44.47
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019783243	1	35	-1.0	-47.06	306.47	2.55	-44.51
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783244	0	35	-1.0	-50.18	305.18	2.69	-47.49
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783244	1	35	-1.0	-50.19	305.23	2.69	-47.50
CCC1=NN(C)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1Cl	REAL300019783245	0	37	-1.0	-48.15	329.50	3.91	-44.24
CCC1=NN(C)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1Cl	REAL300019783245	1	37	-1.0	-48.13	329.55	3.92	-44.21
O=C(CSC1=CC=CC(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783246	0	35	-1.0	-55.75	313.09	5.50	-50.25
O=C(CSC1=CC=CC(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783246	1	35	-1.0	-55.74	313.16	5.50	-50.24
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783247	0	32	-1.0	-49.95	297.14	3.10	-46.85
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783247	1	32	-1.0	-49.98	297.21	3.10	-46.88
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783248	0	41	-1.0	-57.05	343.37	4.14	-52.91
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783248	1	41	-1.0	-57.07	343.44	4.14	-52.93
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783249	0	38	-1.0	-58.70	312.89	2.10	-56.60
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783249	1	38	-1.0	-58.69	312.82	2.09	-56.60
CC1(C)CCC2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300019783250	0	46	-1.0	-54.78	367.39	5.83	-48.95
CC1(C)CCC2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C(Cl)N=C2C1	REAL300019783250	1	46	-1.0	-54.78	367.45	5.84	-48.94
CC1=CC(C)=C2NC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC2=C1	REAL300019783251	0	41	-1.0	-53.11	335.21	5.75	-47.36
CC1=CC(C)=C2NC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC2=C1	REAL300019783251	1	41	-1.0	-53.08	335.14	5.75	-47.33
CC1=NC2=C(NC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C2)S1	REAL300019783252	0	34	-1.0	-53.51	301.57	2.27	-51.24
CC1=NC2=C(NC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C2)S1	REAL300019783252	1	34	-1.0	-53.51	301.64	2.26	-51.25
CC1(C)OCC2=C1NN=C2C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783253	0	39	-1.0	-53.66	320.70	1.56	-52.10
CC1(C)OCC2=C1NN=C2C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783253	1	39	-1.0	-53.64	320.76	1.57	-52.07
CC1(C)OCC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)NN=C21	REAL300019783253	1	39	-1.0	-49.83	319.32	1.35	-48.48
CC1(C)OCC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)NN=C21	REAL300019783253	1	39	-1.0	-49.81	319.39	1.35	-48.46
O=C(C1=CC(C2CCOCC2)=NN1)N1CCSCC1C1=N[N-]N=N1	REAL300019783254	0	42	-1.0	-50.38	337.26	2.11	-48.27
O=C(C1=CC(C2CCOCC2)=NN1)N1CCSCC1C1=NN=N[N-]1	REAL300019783254	1	42	-1.0	-50.42	337.33	2.12	-48.30
O=C(C=CC1=CN=CC=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783255	0	33	-1.0	-52.89	289.26	2.05	-50.84
O=C(C=CC1=CN=CC=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783255	1	33	-1.0	-52.90	289.33	2.05	-50.85
O=C(C1=CN(C2CCCC2)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783256	0	41	-1.0	-51.51	326.54	4.24	-47.27
O=C(C1=CN(C2CCCC2)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783256	1	41	-1.0	-51.50	326.48	4.23	-47.27
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCSCC1C1=N[N-]N=N1	REAL300019783257	0	37	-1.0	-52.26	313.08	4.62	-47.64
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCSCC1C1=NN=N[N-]1	REAL300019783257	1	37	-1.0	-52.28	313.15	4.62	-47.66
O=C(CCN1C=CC2=CC=CN=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783258	0	40	-1.0	-53.41	337.35	6.10	-47.31
O=C(CCN1C=CC2=CC=CN=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783258	1	40	-1.0	-53.40	337.29	6.10	-47.30
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1F	REAL300019783259	0	36	-1.0	-59.14	312.32	6.08	-53.06
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1F	REAL300019783259	1	36	-1.0	-59.09	312.40	6.09	-53.00
CCCC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CS1	REAL300019783260	0	36	-1.0	-51.24	312.66	4.05	-47.19
CCCC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CS1	REAL300019783260	1	36	-1.0	-51.27	312.72	4.05	-47.22
CC1=NN(C)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1Cl	REAL300019783261	0	34	-1.0	-47.52	308.42	2.98	-44.54
CC1=NN(C)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1Cl	REAL300019783261	1	34	-1.0	-47.55	308.49	2.99	-44.56
CC(C)(C)C1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1	REAL300019783262	0	41	-1.0	-52.77	329.72	4.55	-48.22
CC(C)(C)C1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1	REAL300019783262	1	41	-1.0	-52.75	329.80	4.54	-48.21
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019783263	0	37	-1.0	-69.42	331.55	2.02	-67.40
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019783263	1	37	-1.0	-69.41	331.62	2.01	-67.40
O=C(C1=CN=C(F)C(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783264	0	30	-1.0	-45.91	267.65	1.95	-43.96
O=C(C1=CN=C(F)C(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783264	1	30	-1.0	-45.91	267.58	1.94	-43.97
COC1=CC=C2C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)NC2=N1	REAL300019783265	0	38	-1.0	-49.60	321.51	2.11	-47.49
COC1=CC=C2C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)NC2=N1	REAL300019783265	1	38	-1.0	-49.57	321.58	2.12	-47.45
COC(=O)C(OC)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783266	0	34	-1.0	-57.97	294.85	2.24	-55.73
COC(=O)C(OC)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783266	1	34	-1.0	-57.95	294.92	2.24	-55.71
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783267	0	37	-1.0	-60.71	303.09	4.04	-56.67
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783267	1	37	-1.0	-60.69	303.14	4.05	-56.64
COC(=O)C1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(C)S1	REAL300019783268	0	37	-1.0	-50.12	326.61	4.27	-45.85
COC(=O)C1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(C)S1	REAL300019783268	1	37	-1.0	-50.10	326.62	4.28	-45.82
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783269	0	44	-1.0	-56.04	351.09	1.66	-54.38
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783269	1	44	-1.0	-56.02	351.16	1.66	-54.36
CC(C)(C)C1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CN1	REAL300019783270	0	40	-1.0	-51.72	325.80	3.91	-47.81
CC(C)(C)C1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CN1	REAL300019783270	1	40	-1.0	-51.71	325.87	3.90	-47.81
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783271	0	34	-1.0	-61.27	309.49	4.20	-57.07
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783271	1	34	-1.0	-61.28	309.42	4.19	-57.09
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCSCC1C1=N[N-]N=N1)=C2	REAL300019783272	0	37	-1.0	-52.18	345.42	5.10	-47.08
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCSCC1C1=NN=N[N-]1)=C2	REAL300019783272	1	37	-1.0	-52.17	345.50	5.10	-47.07
O=C([C@@H]1CCC2=CC=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783273	0	38	-1.0	-52.16	306.17	6.00	-46.16
O=C([C@@H]1CCC2=CC=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783273	1	38	-1.0	-52.18	306.22	6.01	-46.17
CCN1C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC1=O	REAL300019783274	0	37	-1.0	-65.65	306.92	3.59	-62.06
CCN1C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC1=O	REAL300019783274	1	37	-1.0	-65.64	306.99	3.59	-62.05
O=C(C1=CC=C2CCOC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783275	0	36	-1.0	-58.67	295.26	3.64	-55.03
O=C(C1=CC=C2CCOC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783275	1	36	-1.0	-58.68	295.32	3.65	-55.03
COC1=CC=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1F	REAL300019783276	0	34	-1.0	-60.78	294.30	2.39	-58.39
COC1=CC=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1F	REAL300019783276	1	34	-1.0	-60.75	294.25	2.38	-58.37
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783277	0	40	-1.0	-63.42	350.09	4.37	-59.05
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783277	1	40	-1.0	-63.47	350.18	4.38	-59.09
N#CCN1C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019783278	0	32	-1.0	-61.89	287.12	2.88	-59.01
N#CCN1C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019783278	1	32	-1.0	-61.85	287.06	2.88	-58.97
O=C(CSC1=CC=CC(Cl)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783279	0	35	-1.0	-55.00	323.41	5.95	-49.05
O=C(CSC1=CC=CC(Cl)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783279	1	35	-1.0	-55.00	323.48	5.94	-49.06
O=C(CC1C[C@@H]2COC[C@H]12)N1CCSCC1C1=N[N-]N=N1	REAL300019783280	0	39	-1.0	-57.49	309.60	3.29	-54.20
O=C(CC1C[C@@H]2COC[C@H]12)N1CCSCC1C1=NN=N[N-]1	REAL300019783280	1	39	-1.0	-57.43	309.67	3.30	-54.13
COCC1=CN=C(OC)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783281	0	41	-1.0	-58.69	340.96	0.97	-57.72
COCC1=CN=C(OC)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783281	1	41	-1.0	-58.72	340.89	0.97	-57.75
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783282	0	44	-1.0	-49.53	363.74	7.61	-41.92
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783282	1	44	-1.0	-49.58	363.81	7.60	-41.98
COC1=CC=C(C(C)=CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783283	0	42	-1.0	-50.05	345.23	5.68	-44.37
COC1=CC=C(C(C)=CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783283	1	42	-1.0	-50.04	345.30	5.69	-44.35
O=C(CN1N=NC(C2CC2)=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783284	0	36	-1.0	-60.64	311.88	2.43	-58.21
O=C(CN1N=NC(C2CC2)=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783284	1	36	-1.0	-60.65	311.94	2.43	-58.22
CC1(C)OC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2O1	REAL300019783285	0	40	-1.0	-55.57	330.86	4.15	-51.42
CC1(C)OC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2O1	REAL300019783285	1	40	-1.0	-55.55	330.92	4.16	-51.39
COC1=CC=C(C(CC(=O)N2CCSCC2C2=N[N-]N=N2)C(F)F)C=C1	REAL300019783286	0	44	-1.0	-50.18	361.35	5.76	-44.42
COC1=CC=C(C(CC(=O)N2CCSCC2C2=NN=N[N-]2)C(F)F)C=C1	REAL300019783286	1	44	-1.0	-50.17	361.41	5.77	-44.40
COC1=CC2=C(OCC2)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783287	0	40	-1.0	-59.28	325.13	2.99	-56.29
COC1=CC2=C(OCC2)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783287	1	40	-1.0	-59.29	325.19	3.00	-56.29
CC1=CC(=O)N(CCC(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019783288	0	39	-1.0	-55.26	329.97	4.35	-50.91
CC1=CC(=O)N(CCC(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019783288	1	39	-1.0	-55.32	330.04	4.34	-50.98
CC1=CSC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)N=CN=C12	REAL300019783289	0	35	-1.0	-49.67	311.86	4.74	-44.93
CC1=CSC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)N=CN=C12	REAL300019783289	1	35	-1.0	-49.70	311.80	4.72	-44.98
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783290	0	45	-1.0	-52.89	361.51	4.22	-48.67
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783290	1	45	-1.0	-52.89	361.59	4.24	-48.65
N#CCN1N=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783291	0	32	-1.0	-50.67	279.76	2.34	-48.33
N#CCN1N=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783291	1	32	-1.0	-50.68	279.69	2.34	-48.34
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCSCC2C2=N[N-]N=N2)N=C1	REAL300019783292	0	48	-1.0	-66.23	390.14	2.45	-63.78
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCSCC2C2=NN=N[N-]2)N=C1	REAL300019783292	1	48	-1.0	-66.23	390.20	2.45	-63.78
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783293	0	52	-1.0	-59.89	413.43	4.64	-55.25
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783293	1	52	-1.0	-59.88	413.50	4.64	-55.24
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783294	0	51	-1.0	-51.10	395.75	3.75	-47.35
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783294	1	51	-1.0	-51.08	395.81	3.76	-47.32
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783295	0	54	-1.0	-54.68	423.96	4.59	-50.09
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783295	1	54	-1.0	-54.67	424.03	4.59	-50.08
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783296	0	51	-1.0	-51.97	410.11	1.85	-50.12
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783296	1	51	-1.0	-52.01	410.18	1.84	-50.17
O=C(CC1=NN=C2COCCN12)N1CCSCC1C1=N[N-]N=N1	REAL300019783297	0	38	-1.0	-64.07	316.98	2.38	-61.69
O=C(CC1=NN=C2COCCN12)N1CCSCC1C1=NN=N[N-]1	REAL300019783297	1	38	-1.0	-64.07	317.04	2.38	-61.69
CC1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783298	0	36	-1.0	-49.48	290.71	2.89	-46.59
CC1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783298	1	36	-1.0	-49.47	290.65	2.89	-46.58
COC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(N)C(OC)=C1OC	REAL300019783299	0	45	-1.0	-48.47	367.34	1.48	-46.99
COC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(N)C(OC)=C1OC	REAL300019783299	1	45	-1.0	-48.52	367.40	1.48	-47.04
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783300	0	33	-1.0	-44.17	303.84	3.15	-41.02
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783300	1	33	-1.0	-44.19	303.90	3.16	-41.03
NC1=CC=C(Br)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783301	0	33	-1.0	-46.12	294.04	2.74	-43.38
NC1=CC=C(Br)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783301	1	33	-1.0	-46.12	294.09	2.75	-43.37
NC1=CC=C(Cl)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783302	0	33	-1.0	-46.30	289.48	2.64	-43.66
NC1=CC=C(Cl)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783302	1	33	-1.0	-46.33	289.54	2.65	-43.68
NC1=C(Cl)C=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783303	0	33	-1.0	-48.44	287.16	2.69	-45.75
NC1=C(Cl)C=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783303	1	33	-1.0	-48.49	287.21	2.69	-45.80
NC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300019783304	0	36	-1.0	-48.83	306.99	3.28	-45.55
NC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300019783304	1	36	-1.0	-48.83	307.03	3.28	-45.55
NC1=CC(F)=C(F)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783305	0	33	-1.0	-43.86	285.43	2.24	-41.62
NC1=CC(F)=C(F)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783305	1	33	-1.0	-43.88	285.48	2.25	-41.63
CC1=CC(Br)=C(N)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783306	0	36	-1.0	-47.81	312.66	3.45	-44.36
CC1=CC(Br)=C(N)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783306	1	36	-1.0	-47.78	312.72	3.46	-44.32
NC1=C(Br)C=C(F)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783307	0	33	-1.0	-43.99	297.62	2.84	-41.15
NC1=C(Br)C=C(F)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783307	1	33	-1.0	-44.01	297.68	2.86	-41.15
NC1=C(F)C=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783308	0	33	-1.0	-49.26	278.29	2.22	-47.04
NC1=C(F)C=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783308	1	33	-1.0	-49.31	278.24	2.21	-47.10
NC1=C(Br)C=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783309	0	33	-1.0	-48.33	291.25	2.82	-45.51
NC1=C(Br)C=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783309	1	33	-1.0	-48.34	291.31	2.83	-45.51
NC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CC(Cl)=C1Cl	REAL300019783310	0	33	-1.0	-45.88	302.25	3.15	-42.73
NC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CC(Cl)=C1Cl	REAL300019783310	1	33	-1.0	-45.85	302.31	3.16	-42.69
CC1=CC=C(F)C(N)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783311	0	36	-1.0	-48.78	303.48	2.52	-46.26
CC1=CC=C(F)C(N)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783311	1	36	-1.0	-48.76	303.41	2.52	-46.24
CC1=CC(F)=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783312	0	36	-1.0	-46.72	297.30	2.81	-43.91
CC1=CC(F)=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783312	1	36	-1.0	-46.72	297.37	2.82	-43.90
NC1=C(F)C=C(Br)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783313	0	33	-1.0	-44.43	299.48	2.77	-41.66
NC1=C(F)C=C(Br)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783313	1	33	-1.0	-44.40	299.54	2.79	-41.61
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783314	0	36	-1.0	-46.16	311.81	2.98	-43.18
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783314	1	36	-1.0	-46.14	311.88	2.98	-43.16
CC1=CC(Br)=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783315	0	36	-1.0	-46.43	312.18	3.36	-43.07
CC1=CC(Br)=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783315	1	36	-1.0	-46.39	312.24	3.36	-43.03
NC1=CC(F)=C(Br)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783316	0	33	-1.0	-43.68	299.70	2.78	-40.90
NC1=CC(F)=C(Br)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783316	1	33	-1.0	-43.66	299.76	2.78	-40.88
CC1=CC(Cl)=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783317	0	36	-1.0	-46.53	307.62	3.25	-43.28
CC1=CC(Cl)=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783317	1	36	-1.0	-46.57	307.69	3.26	-43.31
CC1=CC(Cl)=C(N)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783318	0	36	-1.0	-47.99	308.56	3.31	-44.68
CC1=CC(Cl)=C(N)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783318	1	36	-1.0	-47.94	308.62	3.33	-44.61
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783319	0	33	-1.0	-43.74	295.29	2.69	-41.05
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783319	1	33	-1.0	-43.72	295.35	2.70	-41.02
CC1=CN(C2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C(N)C=C2F)N=C1	REAL300019783320	0	43	-1.0	-46.95	356.35	3.95	-43.00
CC1=CN(C2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C(N)C=C2F)N=C1	REAL300019783320	1	43	-1.0	-46.92	356.29	3.93	-42.99
COC1=CC(N)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019783321	0	43	-1.0	-52.52	360.07	-0.62	-53.14
COC1=CC(N)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019783321	1	43	-1.0	-52.55	360.15	-0.62	-53.17
CC1=C(Br)C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783322	0	36	-1.0	-46.51	309.05	3.26	-43.25
CC1=C(Br)C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783322	1	36	-1.0	-46.50	309.11	3.27	-43.23
CC1=C(F)C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783323	0	36	-1.0	-46.56	296.29	2.78	-43.78
CC1=C(F)C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783323	1	36	-1.0	-46.52	296.36	2.79	-43.73
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(N)=C1Cl	REAL300019783324	0	36	-1.0	-48.67	306.17	3.13	-45.54
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(N)=C1Cl	REAL300019783324	1	36	-1.0	-48.67	306.24	3.13	-45.54
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(N)C=C1F	REAL300019783325	0	36	-1.0	-46.24	299.37	2.78	-43.46
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(N)C=C1F	REAL300019783325	1	36	-1.0	-46.28	299.43	2.81	-43.47
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783326	0	33	-1.0	-44.18	293.52	2.71	-41.47
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783326	1	33	-1.0	-44.19	293.59	2.71	-41.48
COC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(N)=C1F	REAL300019783327	0	37	-1.0	-50.47	307.40	1.53	-48.94
COC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(N)=C1F	REAL300019783327	1	37	-1.0	-50.48	307.45	1.54	-48.94
COC1=C(F)C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(N)=C1F	REAL300019783328	0	37	-1.0	-44.94	317.66	1.67	-43.27
COC1=C(F)C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(N)=C1F	REAL300019783328	1	37	-1.0	-44.98	317.72	1.69	-43.29
NC1=CC(Br)=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783329	0	35	-1.0	-46.56	305.86	0.86	-45.70
NC1=CC(Br)=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783329	1	35	-1.0	-46.60	305.91	0.87	-45.73
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783330	0	33	-1.0	-43.76	304.60	3.10	-40.66
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783330	1	33	-1.0	-43.79	304.65	3.10	-40.69
NC1=CC(Br)=C(F)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783331	0	33	-1.0	-43.71	299.71	2.79	-40.92
NC1=CC(Br)=C(F)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783331	1	33	-1.0	-43.75	299.76	2.79	-40.96
COC1=CC(Br)=C(N)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783332	0	37	-1.0	-46.67	320.68	2.06	-44.61
COC1=CC(Br)=C(N)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783332	1	37	-1.0	-46.69	320.75	2.07	-44.62
NC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CC(Cl)=C1F	REAL300019783333	0	33	-1.0	-46.50	294.35	2.71	-43.79
NC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CC(Cl)=C1F	REAL300019783333	1	33	-1.0	-46.47	294.41	2.72	-43.75
COC1=CC(N)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1Br	REAL300019783334	0	37	-1.0	-46.82	322.90	1.97	-44.85
COC1=CC(N)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1Br	REAL300019783334	1	37	-1.0	-46.87	322.97	1.97	-44.90
NC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CC(Br)=C1F	REAL300019783335	0	33	-1.0	-46.21	298.76	2.81	-43.40
NC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CC(Br)=C1F	REAL300019783335	1	33	-1.0	-46.24	298.81	2.82	-43.42
CC1=C(F)C=CC(N)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783336	0	36	-1.0	-48.30	303.32	2.45	-45.85
CC1=C(F)C=CC(N)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783336	1	36	-1.0	-48.31	303.26	2.44	-45.87
COC1=CC(OC)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(N)=C1Cl	REAL300019783337	0	41	-1.0	-52.10	353.42	1.27	-50.83
COC1=CC(OC)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(N)=C1Cl	REAL300019783337	1	41	-1.0	-52.11	353.49	1.28	-50.83
O=C(CC1=CC=C(O)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783338	0	34	-1.0	-57.28	292.63	0.47	-56.81
O=C(CC1=CC=C(O)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783338	1	34	-1.0	-57.32	292.70	0.46	-56.86
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783339	0	30	-1.0	-44.64	294.84	3.97	-40.67
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783339	1	30	-1.0	-44.65	294.77	3.98	-40.67
C[NH+](C)CCSCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783340	0	40	0.0	-74.51	330.63	4.65	-69.86
C[NH+](C)CCSCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783340	1	40	0.0	-74.54	330.69	4.63	-69.91
O=C(CCC1=C(Br)SC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783341	0	34	-1.0	-50.64	318.58	5.31	-45.33
O=C(CCC1=C(Br)SC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783341	1	34	-1.0	-50.65	318.66	5.31	-45.34
CN1C=C(Br)C(=O)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783342	0	34	-1.0	-57.13	303.91	3.95	-53.18
CN1C=C(Br)C(=O)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783342	1	34	-1.0	-57.17	303.98	3.96	-53.21
CC(C)(C)OC1CC(CC(=O)N2CCSCC2C2=N[N-]N=N2)C1(C)C	REAL300019783343	0	53	-1.0	-58.02	401.67	6.27	-51.75
CC(C)(C)OC1CC(CC(=O)N2CCSCC2C2=NN=N[N-]2)C1(C)C	REAL300019783343	1	53	-1.0	-58.03	401.73	6.28	-51.75
O=C(N1CCSCC1C1=N[N-]N=N1)C12CC(C1)CN2C1CC1	REAL300019783344	0	41	-1.0	-52.07	317.45	4.65	-47.42
O=C(N1CCSCC1C1=NN=N[N-]1)C12CC(C1)CN2C1CC1	REAL300019783344	1	41	-1.0	-52.08	317.52	4.65	-47.43
O=C(N1CCSCC1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019783344	1	42	0.0	-64.50	322.89	5.15	-59.35
O=C(N1CCSCC1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300019783344	1	42	0.0	-64.99	310.54	5.24	-59.75
O=C(C(F)=CC1=CNC=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783345	0	32	-1.0	-53.21	283.01	3.42	-49.79
O=C(C(F)=CC1=CNC=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783345	1	32	-1.0	-53.20	283.07	3.41	-49.79
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCSCC1C1=NN=N[N-]1	REAL300019783346	0	33	-1.0	-46.84	303.82	5.51	-41.33
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCSCC1C1=N[N-]N=N1	REAL300019783346	1	33	-1.0	-46.84	303.77	5.50	-41.34
O=C(C1CC2=CC=CC=C2NC1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783347	0	39	-1.0	-45.87	321.43	3.12	-42.75
O=C(C1CC2=CC=CC=C2NC1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783347	1	39	-1.0	-45.87	321.50	3.12	-42.75
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC2=CC=C(F)C=C21	REAL300019783348	0	38	-1.0	-51.03	320.51	5.08	-45.95
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC2=CC=C(F)C=C21	REAL300019783348	1	38	-1.0	-50.98	320.43	5.07	-45.91
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783349	0	38	-1.0	-55.98	318.42	5.70	-50.28
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783349	1	38	-1.0	-55.96	318.49	5.70	-50.26
O=C(C=CCOC1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783350	0	39	-1.0	-57.10	330.23	5.10	-52.00
O=C(C=CCOC1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783350	1	39	-1.0	-57.10	330.30	5.11	-51.99
O=C(CC1CC(=O)NC(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783351	0	37	-1.0	-61.47	307.20	0.49	-60.98
O=C(CC1CC(=O)NC(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783351	1	37	-1.0	-61.48	307.27	0.48	-61.00
O=C(C1=CC=NC2=NNC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783352	0	33	-1.0	-52.72	284.50	1.90	-50.82
O=C(C1=CC=NC2=NNC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783352	1	33	-1.0	-52.70	284.44	1.89	-50.81
O=C(CC1=CC=CC(F)=C1O)N1CCSCC1C1=N[N-]N=N1	REAL300019783353	0	35	-1.0	-58.56	304.21	2.22	-56.34
O=C(CC1=CC=CC(F)=C1O)N1CCSCC1C1=NN=N[N-]1	REAL300019783353	1	35	-1.0	-58.53	304.28	2.20	-56.33
CN1C(=S)NN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783354	0	31	-1.0	-42.41	277.29	3.34	-39.07
CN1C(=S)NN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783354	1	31	-1.0	-42.41	277.34	3.35	-39.06
CN1C(=S)[N-]N=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783354	1	30	-2.0	-87.82	274.60	3.00	-84.82
CN1C(=S)[N-]N=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783354	1	30	-2.0	-87.81	274.67	2.99	-84.82
O=C(C1CC2CC(O)CC(C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783355	0	45	-1.0	-56.88	328.99	2.86	-54.02
O=C(C1CC2CC(O)CC(C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783355	1	45	-1.0	-56.86	329.06	2.85	-54.01
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCSCC1C1=N[N-]N=N1	REAL300019783356	0	37	-1.0	-49.44	317.62	2.54	-46.90
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCSCC1C1=NN=N[N-]1	REAL300019783356	1	37	-1.0	-49.46	317.70	2.55	-46.91
O=C(C1=CC2=CNN=C2S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783357	0	31	-1.0	-54.16	279.02	1.69	-52.47
O=C(C1=CC2=CNN=C2S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783357	1	31	-1.0	-54.19	279.09	1.69	-52.50
CC1=NSC(Br)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783358	0	30	-1.0	-45.65	291.88	2.86	-42.79
CC1=NSC(Br)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783358	1	30	-1.0	-45.63	291.97	2.88	-42.75
CC1=CN2CC(C(=O)N3CCSCC3C3=N[N-]N=N3)CCC2=N1	REAL300019783359	0	41	-1.0	-51.57	325.59	4.66	-46.91
CC1=CN2CC(C(=O)N3CCSCC3C3=NN=N[N-]3)CCC2=N1	REAL300019783359	1	41	-1.0	-51.59	325.65	4.67	-46.92
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783360	0	33	-1.0	-52.19	298.84	4.04	-48.15
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783360	1	33	-1.0	-52.21	298.78	4.03	-48.18
COC(=O)C1=CC(OC)=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1Cl	REAL300019783361	0	41	-1.0	-57.37	356.34	4.19	-53.18
COC(=O)C1=CC(OC)=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1Cl	REAL300019783361	1	41	-1.0	-57.39	356.39	4.20	-53.19
NC1=C(Br)C=NC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783362	0	32	-1.0	-44.58	288.43	0.77	-43.81
NC1=C(Br)C=NC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783362	1	32	-1.0	-44.53	288.50	0.78	-43.75
O=C(CCN1CCCC2=CC=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783363	0	46	-1.0	-55.52	358.15	5.42	-50.10
O=C(CCN1CCCC2=CC=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783363	1	46	-1.0	-55.53	358.22	5.42	-50.11
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783364	0	48	-1.0	-56.55	385.68	0.03	-56.52
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783364	1	48	-1.0	-56.57	385.75	0.01	-56.56
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C2	REAL300019783365	0	41	-1.0	-59.15	351.25	5.36	-53.79
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C2	REAL300019783365	1	41	-1.0	-59.15	351.32	5.36	-53.79
O=C(C(O)CC1=CC=NC=C1Br)N1CCSCC1C1=N[N-]N=N1	REAL300019783366	0	37	-1.0	-46.80	323.73	2.06	-44.74
O=C(C(O)CC1=CC=NC=C1Br)N1CCSCC1C1=NN=N[N-]1	REAL300019783366	1	37	-1.0	-46.82	323.78	2.07	-44.75
CC1=[NH+]C=C2C=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CN21	REAL300019783367	0	38	0.0	-65.10	311.16	5.52	-59.58
CC1=NC=C2C=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CN21	REAL300019783367	1	37	-1.0	-51.78	311.04	5.12	-46.66
C#CC[C@]1(O)C[C@@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783368	0	37	-1.0	-57.73	307.25	2.82	-54.91
C#CC[C@]1(O)C[C@@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783368	1	37	-1.0	-57.76	307.33	2.83	-54.93
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783369	0	34	-1.0	-50.73	306.07	3.85	-46.88
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783369	1	34	-1.0	-50.75	306.13	3.86	-46.89
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783370	0	48	-1.0	-54.26	379.17	-0.09	-54.35
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783370	1	48	-1.0	-54.27	379.24	-0.09	-54.36
CCC(C(=O)N1CCSCC1C1=N[N-]N=N1)N1C=CN=C1	REAL300019783371	0	37	-1.0	-56.67	304.34	4.72	-51.95
CCC(C(=O)N1CCSCC1C1=NN=N[N-]1)N1C=CN=C1	REAL300019783371	1	37	-1.0	-56.69	304.41	4.74	-51.95
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C2	REAL300019783372	0	52	-1.0	-50.75	405.72	5.01	-45.74
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C2	REAL300019783372	1	52	-1.0	-50.74	405.79	5.00	-45.74
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019783373	0	46	-1.0	-61.02	367.80	4.13	-56.89
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019783373	1	46	-1.0	-61.03	367.87	4.13	-56.90
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783374	0	45	-1.0	-46.90	370.94	2.29	-44.61
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783374	1	45	-1.0	-46.92	371.00	2.30	-44.62
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCSCC2C2=N[N-]N=N2)[C@H](O)C1	REAL300019783375	0	52	-1.0	-66.71	408.95	1.66	-65.05
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCSCC2C2=NN=N[N-]2)[C@H](O)C1	REAL300019783375	1	52	-1.0	-66.69	409.02	1.65	-65.04
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C2	REAL300019783376	0	52	-1.0	-50.75	405.72	5.01	-45.74
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C2	REAL300019783376	1	52	-1.0	-50.74	405.79	5.00	-45.74
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783377	0	37	-1.0	-56.38	307.69	5.93	-50.45
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783377	1	37	-1.0	-56.38	307.62	5.92	-50.46
CCN1CCOCC1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783378	0	43	-1.0	-54.45	328.87	0.88	-53.57
CCN1CCOCC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783378	1	43	-1.0	-54.50	328.93	0.90	-53.60
CC[N@@H+]1CCOCC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783378	1	44	0.0	-69.68	331.22	3.24	-66.44
CC[N@H+]1CCOCC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783378	1	44	0.0	-65.48	326.55	3.26	-62.22
COC(CF)(OC)C1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783379	0	45	-1.0	-52.18	360.38	4.26	-47.92
COC(CF)(OC)C1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783379	1	45	-1.0	-52.23	360.46	4.27	-47.96
CCOC(=O)CCC(F)(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783380	0	39	-1.0	-49.87	334.80	4.47	-45.40
CCOC(=O)CCC(F)(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783380	1	39	-1.0	-49.89	334.87	4.47	-45.42
COC1=CC(OC)=C(N)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783381	0	41	-1.0	-50.29	330.58	0.80	-49.49
COC1=CC(OC)=C(N)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783381	1	41	-1.0	-50.26	330.64	0.82	-49.44
C[C@H](C(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300019783382	0	40	-1.0	-53.72	325.78	4.05	-49.67
C[C@H](C(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300019783382	1	40	-1.0	-53.73	325.85	4.06	-49.67
CS(=O)(=O)N1CCC(OCC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019783383	0	46	-1.0	-60.82	379.45	1.24	-59.58
CS(=O)(=O)N1CCC(OCC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019783383	1	46	-1.0	-60.79	379.52	1.24	-59.55
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CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783393	1	44	-1.0	-56.68	344.43	4.26	-52.42
CCC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1CCC1	REAL300019783394	0	43	-1.0	-51.89	328.11	5.96	-45.93
CCC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CCC1	REAL300019783394	1	43	-1.0	-51.91	328.18	5.97	-45.94
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CCOC1=CC=C2NC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019783395	1	45	-1.0	-53.30	364.38	5.22	-48.08
CCC1=CC=C2NC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019783396	0	44	-1.0	-51.68	356.95	6.45	-45.23
CCC1=CC=C2NC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019783396	1	44	-1.0	-51.71	356.88	6.44	-45.27
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CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL300019783397	1	44	-1.0	-51.86	349.73	6.14	-45.72
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL300019783398	0	47	-1.0	-51.57	374.02	6.91	-44.66
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COC(=O)C1=C2C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)SC2=CC=C1	REAL300019783399	1	40	-1.0	-64.65	350.22	5.81	-58.84
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COC(=O)C1=NC=CC=C1CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783400	1	42	-1.0	-58.21	350.71	4.52	-53.69
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CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783401	1	51	-1.0	-55.24	400.43	3.54	-51.70
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CC1=CN=CC=C1C=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783403	0	37	-1.0	-53.59	309.90	4.18	-49.41
CC1=CN=CC=C1C=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783403	1	37	-1.0	-53.61	309.96	4.18	-49.43
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COC1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783406	0	37	-1.0	-51.16	301.52	1.40	-49.76
COC1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783406	1	37	-1.0	-51.19	301.45	1.39	-49.80
COC1=CC=C(C)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783407	0	40	-1.0	-50.82	329.16	1.93	-48.89
COC1=CC=C(C)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783407	1	40	-1.0	-50.83	329.09	1.91	-48.92
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CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783409	0	38	-1.0	-55.98	318.42	5.70	-50.28
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COC1=CSC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1OC	REAL300019783414	0	36	-1.0	-53.53	318.96	2.18	-51.35
COC1=CSC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1OC	REAL300019783414	1	36	-1.0	-53.50	319.31	2.19	-51.31
CSC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019783415	0	38	-1.0	-49.09	343.18	6.59	-42.50
CSC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019783415	1	38	-1.0	-49.11	343.25	6.60	-42.51
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CC1=CC2=NC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019783417	0	39	-1.0	-51.32	322.56	4.77	-46.55
CC1=CC2=NC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019783417	1	39	-1.0	-51.33	322.49	4.77	-46.56
COC1=C(F)C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1F	REAL300019783418	0	35	-1.0	-58.03	304.14	3.34	-54.69
COC1=C(F)C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1F	REAL300019783418	1	35	-1.0	-58.07	304.21	3.35	-54.72
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783419	0	37	-1.0	-64.07	323.52	3.91	-60.16
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783419	1	37	-1.0	-64.13	323.58	3.91	-60.22
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783420	0	37	-1.0	-51.92	314.11	3.54	-48.38
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783420	1	37	-1.0	-51.89	314.04	3.54	-48.35
CC1(C)C(C(=O)N2CCSCC2C2=N[N-]N=N2)CCS1(=O)=O	REAL300019783421	0	40	-1.0	-61.53	311.51	1.25	-60.28
CC1(C)C(C(=O)N2CCSCC2C2=NN=N[N-]2)CCS1(=O)=O	REAL300019783421	1	40	-1.0	-61.53	311.57	1.26	-60.27
CCCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)OC=N1	REAL300019783422	0	36	-1.0	-50.35	300.84	1.06	-49.29
CCCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)OC=N1	REAL300019783422	1	36	-1.0	-50.33	300.91	1.07	-49.26
COC1=CC(F)=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1N	REAL300019783423	0	37	-1.0	-46.95	307.54	1.57	-45.38
COC1=CC(F)=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1N	REAL300019783423	1	37	-1.0	-46.94	307.60	1.58	-45.36
CC1=CC=C(C)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019783424	0	36	-1.0	-53.99	303.03	3.73	-50.26
CC1=CC=C(C)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019783424	1	36	-1.0	-54.00	303.08	3.74	-50.26
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783425	0	37	-1.0	-64.62	306.74	2.60	-62.02
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783425	1	37	-1.0	-64.55	306.67	2.60	-61.95
CCCC1=CC=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783426	0	43	-1.0	-51.96	352.54	7.15	-44.81
CCCC1=CC=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783426	1	43	-1.0	-51.96	352.61	7.14	-44.82
CC(C)N1C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC1=O	REAL300019783427	0	40	-1.0	-64.54	323.33	3.99	-60.55
CC(C)N1C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC1=O	REAL300019783427	1	40	-1.0	-64.50	323.39	4.00	-60.50
O=C(CCCCN1C(=O)CCC1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783428	0	43	-1.0	-61.45	357.89	3.98	-57.47
O=C(CCCCN1C(=O)CCC1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783428	1	43	-1.0	-61.46	357.96	3.96	-57.50
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL300019783429	0	43	-1.0	-51.26	347.19	6.51	-44.75
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL300019783429	1	43	-1.0	-51.35	347.24	6.51	-44.84
C=CC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CCOCC1	REAL300019783430	0	42	-1.0	-48.33	316.24	3.36	-44.97
C=CC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CCOCC1	REAL300019783430	1	42	-1.0	-48.35	316.31	3.37	-44.98
CN1C=CC(N2C=NC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C2)=N1	REAL300019783431	0	38	-1.0	-62.51	327.76	6.02	-56.49
CN1C=CC(N2C=NC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C2)=N1	REAL300019783431	1	38	-1.0	-62.51	327.69	6.03	-56.48
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783432	0	38	-1.0	-53.86	312.19	5.64	-48.22
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783432	1	38	-1.0	-53.89	312.26	5.65	-48.24
CCCCC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CS1	REAL300019783433	0	39	-1.0	-51.36	334.16	4.83	-46.53
CCCCC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CS1	REAL300019783433	1	39	-1.0	-51.36	334.22	4.83	-46.53
O=C(CF)C1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783434	0	36	-1.0	-54.35	308.52	4.43	-49.92
O=C(CF)C1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783434	1	36	-1.0	-54.33	308.59	4.44	-49.89
O=C(C1=C2C=CNC2=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783435	0	34	-1.0	-57.80	285.68	1.98	-55.82
O=C(C1=C2C=CNC2=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783435	1	34	-1.0	-57.85	285.61	1.97	-55.88
CN(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL300019783436	0	40	-1.0	-57.02	345.02	4.38	-52.64
CN(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL300019783436	1	40	-1.0	-57.04	345.09	4.38	-52.66
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CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019783448	1	42	-1.0	-53.26	344.78	5.92	-47.34
CCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019783449	0	45	-1.0	-53.67	365.18	6.66	-47.01
CCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019783449	1	45	-1.0	-53.66	365.25	6.67	-46.99
CCCC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N1	REAL300019783450	0	38	-1.0	-53.35	312.90	4.27	-49.08
CCCC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N1	REAL300019783450	1	38	-1.0	-53.38	312.98	4.27	-49.11
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CC1(C)CC(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC(C)(C)O1	REAL300019783453	1	50	-1.0	-52.26	374.02	5.46	-46.80
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CN1N=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL300019783459	0	37	-1.0	-61.29	318.81	4.57	-56.72
CN1N=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL300019783459	1	37	-1.0	-61.30	318.74	4.56	-56.74
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O=C(C1=CC=C(C2CCOC2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783461	0	42	-1.0	-53.66	334.73	4.41	-49.25
O=C(C1=CC=C(C2CCOC2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783461	1	42	-1.0	-53.67	334.80	4.42	-49.25
CN1C=C(C2=NOC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C2)C=N1	REAL300019783462	0	37	-1.0	-49.15	324.20	2.90	-46.25
CN1C=C(C2=NOC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C2)C=N1	REAL300019783462	1	37	-1.0	-49.15	324.13	2.91	-46.24
O=C(C1=CN=CC2=C1CCCC2)N1CCSCC1C1=N[N-]N=N1	REAL300019783463	0	40	-1.0	-52.28	312.92	4.33	-47.95
O=C(C1=CN=CC2=C1CCCC2)N1CCSCC1C1=NN=N[N-]1	REAL300019783463	1	40	-1.0	-52.26	312.97	4.34	-47.92
CC1=CC=CN2N=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C12	REAL300019783464	0	37	-1.0	-54.08	306.91	4.49	-49.59
CC1=CC=CN2N=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C12	REAL300019783464	1	37	-1.0	-54.13	306.84	4.48	-49.65
C=CCNC(=O)C1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783465	0	42	-1.0	-57.69	350.77	3.49	-54.20
C=CCNC(=O)C1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783465	1	42	-1.0	-57.67	350.84	3.49	-54.18
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783466	0	40	-1.0	-57.48	340.66	5.61	-51.87
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783466	1	40	-1.0	-57.49	340.60	5.60	-51.89
O=C(C1=CC=CC2=CN=NN21)N1CCSCC1C1=NN=N[N-]1	REAL300019783467	0	33	-1.0	-53.89	277.91	2.85	-51.04
O=C(C1=CC=CC2=CN=NN21)N1CCSCC1C1=N[N-]N=N1	REAL300019783467	1	33	-1.0	-53.90	277.85	2.86	-51.04
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL300019783468	0	41	-1.0	-51.70	334.91	5.68	-46.02
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL300019783468	1	41	-1.0	-51.71	334.83	5.68	-46.03
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019783469	0	40	-1.0	-51.95	342.06	5.66	-46.29
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019783469	1	40	-1.0	-51.95	342.12	5.69	-46.26
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL300019783470	0	38	-1.0	-48.98	330.78	5.50	-43.48
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL300019783470	1	38	-1.0	-49.00	330.85	5.51	-43.49
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC2=CC(F)=CC=C21	REAL300019783471	0	38	-1.0	-49.13	320.50	5.08	-44.05
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC2=CC(F)=CC=C21	REAL300019783471	1	38	-1.0	-49.07	320.43	5.07	-44.00
CC1=C2N=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=CN2N=C1	REAL300019783472	0	36	-1.0	-48.45	308.11	4.42	-44.03
CC1=C2N=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=CN2N=C1	REAL300019783472	1	36	-1.0	-48.42	308.05	4.40	-44.02
O=C(C1=CC(Br)=CC(F)=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019783473	0	31	-1.0	-53.56	292.32	4.54	-49.02
O=C(C1=CC(Br)=CC(F)=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019783473	1	31	-1.0	-53.59	292.39	4.55	-49.04
O=C(C1=C2SN=CC2=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783474	0	33	-1.0	-64.35	291.17	4.00	-60.35
O=C(C1=C2SN=CC2=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783474	1	33	-1.0	-64.38	291.09	4.00	-60.38
CCC(CCC(=O)N1CCSCC1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019783475	0	53	-1.0	-50.10	409.75	4.13	-45.97
CCC(CCC(=O)N1CCSCC1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019783475	1	53	-1.0	-50.11	409.82	4.13	-45.98
O=C(C1=CC=C(C(F)F)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783476	0	33	-1.0	-51.40	290.86	3.85	-47.55
O=C(C1=CC=C(C(F)F)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783476	1	33	-1.0	-51.41	290.79	3.86	-47.55
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783477	0	34	-1.0	-53.67	301.31	5.21	-48.46
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783477	1	34	-1.0	-53.68	301.25	5.20	-48.48
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300019783478	0	44	-1.0	-57.70	355.92	7.91	-49.79
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300019783478	1	44	-1.0	-57.68	355.86	7.90	-49.78
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019783479	0	51	-1.0	-60.43	404.56	4.16	-56.27
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019783479	1	51	-1.0	-60.47	404.62	4.17	-56.30
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783480	0	44	-1.0	-51.76	357.06	8.18	-43.58
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783480	1	44	-1.0	-51.72	357.00	8.16	-43.56
O=C(C1=COC2=C(Br)C=CC=C12)N1CCSCC1C1=N[N-]N=N1	REAL300019783481	0	34	-1.0	-53.52	311.39	5.00	-48.52
O=C(C1=COC2=C(Br)C=CC=C12)N1CCSCC1C1=NN=N[N-]1	REAL300019783481	1	34	-1.0	-53.53	311.45	5.00	-48.53
COC1=CC(OC)=C(Cl)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783482	0	39	-1.0	-56.06	331.69	2.95	-53.11
COC1=CC(OC)=C(Cl)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783482	1	39	-1.0	-56.09	331.76	2.95	-53.14
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCSCC1C1=N[N-]N=N1	REAL300019783483	0	36	-1.0	-55.04	298.77	3.52	-51.52
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCSCC1C1=NN=N[N-]1	REAL300019783483	1	36	-1.0	-55.02	298.84	3.53	-51.49
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783484	0	41	-1.0	-52.10	363.24	7.62	-44.48
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783484	1	41	-1.0	-52.12	363.30	7.63	-44.49
O=C(C1CCCC2=C1N=CS2)N1CCSCC1C1=N[N-]N=N1	REAL300019783485	0	37	-1.0	-52.46	308.03	4.04	-48.42
O=C(C1CCCC2=C1N=CS2)N1CCSCC1C1=NN=N[N-]1	REAL300019783485	1	37	-1.0	-52.50	308.10	4.05	-48.45
CC1(C)CCC(F)(F)CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783486	0	43	-1.0	-46.14	319.08	5.07	-41.07
CC1(C)CCC(F)(F)CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783486	1	43	-1.0	-46.15	319.15	5.06	-41.09
CC1=CC=CN=C1C=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783487	0	37	-1.0	-53.18	312.05	4.42	-48.76
CC1=CC=CN=C1C=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783487	1	37	-1.0	-53.14	312.11	4.43	-48.71
CCC1=CSC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783488	0	34	-1.0	-52.93	290.70	4.28	-48.65
CCC1=CSC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783488	1	34	-1.0	-52.99	290.76	4.29	-48.70
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783489	0	43	-1.0	-54.12	361.32	7.42	-46.70
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783489	1	43	-1.0	-54.12	361.25	7.40	-46.72
O=C(C1=CN=C(C(F)(F)F)S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783490	0	30	-1.0	-46.91	288.14	2.26	-44.65
O=C(C1=CN=C(C(F)(F)F)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783490	1	30	-1.0	-46.98	288.06	2.24	-44.74
COC1=CC=C2NN=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C2=C1	REAL300019783491	0	38	-1.0	-62.36	319.10	2.45	-59.91
COC1=CC=C2NN=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C2=C1	REAL300019783491	1	38	-1.0	-62.30	319.03	2.45	-59.85
COC1=CC=C2NC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019783492	0	42	-1.0	-53.34	342.51	4.30	-49.04
COC1=CC=C2NC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019783492	1	42	-1.0	-53.34	342.44	4.29	-49.05
O=C(C(=O)N1CCSCC1C1=N[N-]N=N1)C1=CSC=C1Br	REAL300019783493	0	30	-1.0	-43.77	292.75	3.78	-39.99
O=C(C(=O)N1CCSCC1C1=NN=N[N-]1)C1=CSC=C1Br	REAL300019783493	1	30	-1.0	-43.76	292.81	3.79	-39.97
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783494	0	40	-1.0	-47.76	338.28	6.37	-41.39
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783494	1	40	-1.0	-47.76	338.34	6.37	-41.39
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783495	0	41	-1.0	-51.42	341.80	3.62	-47.80
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783495	1	41	-1.0	-51.43	341.87	3.62	-47.81
O=C(C1=CSC(Br)=C1Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019783496	0	28	-1.0	-53.04	288.71	4.12	-48.92
O=C(C1=CSC(Br)=C1Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019783496	1	28	-1.0	-53.01	288.77	4.12	-48.89
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NNC1=O	REAL300019783497	0	33	-1.0	-46.45	284.17	0.64	-45.81
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NNC1=O	REAL300019783497	1	33	-1.0	-46.47	284.24	0.64	-45.83
O=C(C1=C2C=CC=CN2N=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783498	0	33	-1.0	-53.98	283.69	3.07	-50.91
O=C(C1=C2C=CC=CN2N=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783498	1	33	-1.0	-53.96	283.63	3.04	-50.92
CC1CCC(CC(=O)N2CCSCC2C2=N[N-]N=N2)CC1C	REAL300019783499	0	46	-1.0	-52.90	346.06	6.30	-46.60
CC1CCC(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1C	REAL300019783499	1	46	-1.0	-52.95	346.14	6.31	-46.64
O=C(C1=NC=CC2=NC=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783500	0	35	-1.0	-52.46	302.36	2.69	-49.77
O=C(C1=NC=CC2=NC=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783500	1	35	-1.0	-52.46	302.31	2.67	-49.79
CCN(CCC(=O)N1CCSCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019783501	0	50	-1.0	-55.61	396.38	5.34	-50.27
CCN(CCC(=O)N1CCSCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019783501	1	50	-1.0	-55.61	396.45	5.34	-50.27
O=C(N1CCSCC1C1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL300019783502	0	36	-1.0	-53.31	313.17	2.44	-50.87
O=C(N1CCSCC1C1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL300019783502	1	36	-1.0	-53.30	313.10	2.45	-50.85
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783503	0	37	-1.0	-47.38	312.73	5.81	-41.57
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783503	1	37	-1.0	-47.38	312.79	5.84	-41.54
O=C(N1CCSCC1C1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL300019783504	0	37	-1.0	-51.08	319.95	3.72	-47.36
O=C(N1CCSCC1C1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL300019783504	1	37	-1.0	-51.09	319.88	3.72	-47.37
O=C(CC1CCS(=O)(=O)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019783505	0	40	-1.0	-58.83	326.63	1.22	-57.61
O=C(CC1CCS(=O)(=O)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019783505	1	40	-1.0	-58.79	326.70	1.22	-57.57
O=C(C1=CN(CC(F)F)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783506	0	34	-1.0	-51.73	299.28	2.80	-48.93
O=C(C1=CN(CC(F)F)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783506	1	34	-1.0	-51.77	299.17	2.80	-48.97
CN1C=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C1=O	REAL300019783507	0	33	-1.0	-59.45	276.57	2.56	-56.89
CN1C=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C1=O	REAL300019783507	1	33	-1.0	-59.45	276.50	2.57	-56.88
CC1=CC=C(C=CCC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783508	0	41	-1.0	-54.83	340.60	6.92	-47.91
CC1=CC=C(C=CCC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783508	1	41	-1.0	-54.80	340.67	6.92	-47.88
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCSCC1C1=N[N-]N=N1	REAL300019783509	0	36	-1.0	-57.69	311.74	0.14	-57.55
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCSCC1C1=NN=N[N-]1	REAL300019783509	1	36	-1.0	-57.69	311.81	0.15	-57.54
O=C(C=CC1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783510	0	35	-1.0	-54.44	297.04	5.41	-49.03
O=C(C=CC1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783510	1	35	-1.0	-54.43	297.11	5.42	-49.01
O=C(C1CCCN2C=NN=C12)N1CCSCC1C1=N[N-]N=N1	REAL300019783511	0	37	-1.0	-54.93	294.19	5.11	-49.82
O=C(C1CCCN2C=NN=C12)N1CCSCC1C1=NN=N[N-]1	REAL300019783511	1	37	-1.0	-54.91	294.26	5.11	-49.80
CC(C)C1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1F	REAL300019783512	0	40	-1.0	-61.42	323.51	5.74	-55.68
CC(C)C1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1F	REAL300019783512	1	40	-1.0	-61.46	323.58	5.74	-55.72
CC(C)C1=CC=C(F)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783513	0	40	-1.0	-57.81	325.33	5.78	-52.03
CC(C)C1=CC=C(F)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783513	1	40	-1.0	-57.85	325.40	5.78	-52.07
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783514	0	37	-1.0	-61.81	310.36	6.11	-55.70
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783514	1	37	-1.0	-61.86	310.28	6.11	-55.75
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783515	0	37	-1.0	-52.95	319.34	5.49	-47.46
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783515	1	37	-1.0	-52.98	319.41	5.50	-47.48
COC(=O)C1=CSC2=C1NC(C(=O)N1CCSCC1C1=N[N-]N=N1)=C2	REAL300019783516	0	38	-1.0	-52.54	340.86	4.06	-48.48
COC(=O)C1=CSC2=C1NC(C(=O)N1CCSCC1C1=NN=N[N-]1)=C2	REAL300019783516	1	38	-1.0	-52.53	340.93	4.06	-48.47
COC(=O)C1=CC2=C(C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)N2)S1	REAL300019783517	0	38	-1.0	-50.91	339.07	4.29	-46.62
COC(=O)C1=CC2=C(C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)N2)S1	REAL300019783517	1	38	-1.0	-50.91	339.14	4.28	-46.63
O=C(N1CCSCC1C1=NN=N[N-]1)C(F)(F)C1=CN=CC=N1	REAL300019783518	0	32	-1.0	-48.18	283.65	1.98	-46.20
O=C(N1CCSCC1C1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL300019783518	1	32	-1.0	-48.16	283.58	1.97	-46.19
CC(C)(C)OC(=O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783519	0	39	-1.0	-61.01	315.00	4.67	-56.34
CC(C)(C)OC(=O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783519	1	39	-1.0	-61.03	315.07	4.67	-56.36
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783520	0	54	-1.0	-52.68	414.05	4.16	-48.52
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783520	1	54	-1.0	-52.72	414.12	4.16	-48.56
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783521	0	47	-1.0	-51.29	380.83	2.59	-48.70
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783521	1	47	-1.0	-51.32	380.90	2.61	-48.71
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCSCC1C1=N[N-]N=N1	REAL300019783522	0	41	-1.0	-59.45	346.57	3.77	-55.68
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCSCC1C1=NN=N[N-]1	REAL300019783522	1	41	-1.0	-59.48	346.64	3.78	-55.70
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783523	0	45	-1.0	-56.85	357.96	7.47	-49.38
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783523	1	45	-1.0	-56.88	358.03	7.48	-49.40
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783524	0	45	-1.0	-57.72	357.90	7.48	-50.24
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783524	1	45	-1.0	-57.73	357.97	7.47	-50.26
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783525	0	45	-1.0	-60.39	381.93	5.62	-54.77
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783525	1	45	-1.0	-60.45	382.00	5.64	-54.81
O=C(C1=CC2=CN=CN=C2N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783526	0	33	-1.0	-48.22	284.20	3.44	-44.78
O=C(C1=CC2=CN=CN=C2N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783526	1	33	-1.0	-48.23	284.13	3.44	-44.79
CC(C)(C)C(=O)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783527	0	41	-1.0	-47.25	330.22	4.47	-42.78
CC(C)(C)C(=O)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783527	1	41	-1.0	-47.27	330.29	4.46	-42.81
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCSCC1C1=N[N-]N=N1	REAL300019783528	0	44	-1.0	-51.67	366.90	3.46	-48.21
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCSCC1C1=NN=N[N-]1	REAL300019783528	1	44	-1.0	-51.67	366.98	3.46	-48.21
CC1=NC(C#N)=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783529	0	34	-1.0	-49.71	295.39	3.17	-46.54
CC1=NC(C#N)=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783529	1	34	-1.0	-49.77	295.42	3.19	-46.58
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783530	0	40	-1.0	-52.08	338.84	6.38	-45.70
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783530	1	40	-1.0	-52.03	338.90	6.40	-45.63
CN1C(=O)N(CC(=O)N2CCSCC2C2=N[N-]N=N2)N=C1C1CC1	REAL300019783531	0	41	-1.0	-64.83	349.05	4.64	-60.19
CN1C(=O)N(CC(=O)N2CCSCC2C2=NN=N[N-]2)N=C1C1CC1	REAL300019783531	1	41	-1.0	-64.81	349.12	4.63	-60.18
CCN1C(C)=NN(CC(=O)N2CCSCC2C2=N[N-]N=N2)C1=O	REAL300019783532	0	40	-1.0	-66.22	338.93	4.09	-62.13
CCN1C(C)=NN(CC(=O)N2CCSCC2C2=NN=N[N-]2)C1=O	REAL300019783532	1	40	-1.0	-66.24	339.00	4.08	-62.16
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCSCC1C1=N[N-]N=N1	REAL300019783533	0	45	-1.0	-52.55	369.34	8.13	-44.42
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCSCC1C1=NN=N[N-]1	REAL300019783533	1	45	-1.0	-52.57	369.41	8.13	-44.44
O=C(C1=CC(C2CC2)=CC=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783534	0	37	-1.0	-54.24	307.90	5.11	-49.13
O=C(C1=CC(C2CC2)=CC=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783534	1	37	-1.0	-54.20	307.98	5.12	-49.08
NS(=O)(=O)C1=CSC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783535	0	33	-1.0	-58.37	308.73	-2.12	-60.49
NS(=O)(=O)C1=CSC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783535	1	33	-1.0	-58.32	308.84	-2.10	-60.42
CC(C)(C)C1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019783536	0	39	-1.0	-53.36	320.99	1.29	-52.07
CC(C)(C)C1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019783536	1	39	-1.0	-53.32	320.92	1.28	-52.04
O=C(C1=CC2=CC=CC=C2C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783537	0	36	-1.0	-56.23	297.06	5.71	-50.52
O=C(C1=CC2=CC=CC=C2C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783537	1	36	-1.0	-56.23	297.13	5.71	-50.52
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783538	0	36	-1.0	-55.63	306.72	1.18	-54.45
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783538	1	36	-1.0	-55.59	306.78	1.17	-54.42
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783539	0	45	-1.0	-64.76	374.50	5.93	-58.83
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783539	1	45	-1.0	-64.79	374.57	5.92	-58.87
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783540	0	43	-1.0	-69.69	369.33	7.10	-62.59
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783540	1	43	-1.0	-69.68	369.40	7.11	-62.57
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783541	0	51	-1.0	-49.25	397.35	1.79	-47.46
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783541	1	51	-1.0	-49.23	397.41	1.79	-47.44
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019783542	0	54	-1.0	-53.17	410.27	5.31	-47.86
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019783542	1	54	-1.0	-53.18	410.33	5.32	-47.86
CCC(C)C1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)N1	REAL300019783543	0	43	-1.0	-56.70	340.51	3.61	-53.09
CCC(C)C1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)N1	REAL300019783543	1	43	-1.0	-56.68	340.58	3.61	-53.07
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783544	0	53	-1.0	-57.87	408.25	8.12	-49.75
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783544	1	53	-1.0	-57.84	408.31	8.14	-49.70
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783545	0	41	-1.0	-56.38	346.91	6.30	-50.08
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783545	1	41	-1.0	-56.37	346.98	6.29	-50.08
CC1=CC=C(OC(C)C(=O)N2CCSCC2C2=N[N-]N=N2)C(C)=C1	REAL300019783546	0	44	-1.0	-58.51	353.48	6.46	-52.05
CC1=CC=C(OC(C)C(=O)N2CCSCC2C2=NN=N[N-]2)C(C)=C1	REAL300019783546	1	44	-1.0	-58.51	353.55	6.48	-52.03
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O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783548	1	37	-1.0	-55.20	321.11	6.77	-48.43
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O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783549	1	40	-1.0	-51.91	335.53	5.43	-46.48
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O=C(C1=C(Cl)SC2=C1SN=N2)N1CCSCC1C1=N[N-]N=N1	REAL300019783550	1	29	-1.0	-46.86	300.42	2.56	-44.30
COC(=O)C1=COC2=C1NC(C(=O)N1CCSCC1C1=N[N-]N=N1)=C2	REAL300019783551	0	38	-1.0	-53.46	332.24	3.18	-50.28
COC(=O)C1=COC2=C1NC(C(=O)N1CCSCC1C1=NN=N[N-]1)=C2	REAL300019783551	1	38	-1.0	-53.50	332.32	3.17	-50.33
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)NC2=C1	REAL300019783552	0	44	-1.0	-50.94	369.55	5.63	-45.31
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)NC2=C1	REAL300019783552	1	44	-1.0	-50.94	369.61	5.64	-45.30
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL300019783553	0	36	-1.0	-54.80	323.93	3.24	-51.56
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL300019783553	1	36	-1.0	-54.82	324.00	3.24	-51.58
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCSCC1C1=N[N-]N=N1	REAL300019783554	0	42	-1.0	-56.61	351.26	6.67	-49.94
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCSCC1C1=NN=N[N-]1	REAL300019783554	1	42	-1.0	-56.65	351.34	6.67	-49.98
COC(=O)C1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1C	REAL300019783555	0	40	-1.0	-59.02	329.93	5.06	-53.96
COC(=O)C1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1C	REAL300019783555	1	40	-1.0	-59.02	330.00	5.08	-53.94
C=CCCC(CC(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783556	0	46	-1.0	-53.22	353.95	6.43	-46.79
C=CCCC(CC(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783556	1	46	-1.0	-53.23	354.02	6.43	-46.80
C=CCC(CC(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783557	0	43	-1.0	-52.00	332.94	5.66	-46.34
C=CCC(CC(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783557	1	43	-1.0	-52.04	333.00	5.67	-46.37
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783558	0	44	-1.0	-63.79	365.12	6.38	-57.41
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783558	1	44	-1.0	-63.80	365.19	6.38	-57.42
CC(C)(C)C1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NO1	REAL300019783559	0	41	-1.0	-42.93	324.77	3.74	-39.19
CC(C)(C)C1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NO1	REAL300019783559	1	41	-1.0	-42.96	324.82	3.76	-39.20
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783560	0	38	-1.0	-54.99	324.63	6.22	-48.77
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783560	1	38	-1.0	-55.00	324.69	6.23	-48.77
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783561	0	38	-1.0	-67.63	315.61	4.77	-62.86
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783561	1	38	-1.0	-67.62	315.68	4.78	-62.84
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783562	0	37	-1.0	-54.68	321.82	4.58	-50.10
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783562	1	37	-1.0	-54.73	321.89	4.59	-50.14
CC1=C2C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)N=CC2=NN1	REAL300019783563	0	36	-1.0	-54.31	306.73	2.31	-52.00
CC1=C2C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)N=CC2=NN1	REAL300019783563	1	36	-1.0	-54.32	306.80	2.31	-52.01
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783564	0	34	-1.0	-56.23	306.08	5.54	-50.69
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783564	1	34	-1.0	-56.25	306.03	5.52	-50.73
O=C(CCCCC1CSSC1)N1CCSCC1C1=N[N-]N=N1	REAL300019783565	0	42	-1.0	-54.17	356.54	7.44	-46.73
O=C(CCCCC1CSSC1)N1CCSCC1C1=NN=N[N-]1	REAL300019783565	1	42	-1.0	-54.22	356.61	7.42	-46.80
CNC(=O)N1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019783566	0	43	-1.0	-63.35	336.51	2.09	-61.26
CNC(=O)N1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019783566	1	43	-1.0	-63.32	336.55	2.12	-61.20
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCSCC1C1=NN=N[N-]1	REAL300019783567	0	36	-1.0	-49.79	312.73	4.64	-45.15
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCSCC1C1=N[N-]N=N1	REAL300019783567	1	36	-1.0	-49.80	312.66	4.63	-45.17
CC1=CC2=CC=CN=C2C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783568	0	39	-1.0	-64.71	321.69	5.09	-59.62
CC1=CC2=CC=CN=C2C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783568	1	39	-1.0	-64.73	321.62	5.09	-59.64
O=C(C1=CN=C2N=CC=CN12)N1CCSCC1C1=NN=N[N-]1	REAL300019783569	0	33	-1.0	-54.12	283.82	4.78	-49.34
O=C(C1=CN=C2N=CC=CN12)N1CCSCC1C1=N[N-]N=N1	REAL300019783569	1	33	-1.0	-54.12	283.74	4.78	-49.34
O=C(CC1=CC(Br)=CS1)N1CCSCC1C1=N[N-]N=N1	REAL300019783570	0	31	-1.0	-50.59	299.91	4.67	-45.92
O=C(CC1=CC(Br)=CS1)N1CCSCC1C1=NN=N[N-]1	REAL300019783570	1	31	-1.0	-50.57	299.97	4.67	-45.90
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783571	0	42	-1.0	-53.33	365.30	8.22	-45.11
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783571	1	42	-1.0	-53.31	365.37	8.21	-45.10
COC1(C2=CC=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C2)COC1	REAL300019783572	0	43	-1.0	-60.49	340.00	3.24	-57.25
COC1(C2=CC=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C2)COC1	REAL300019783572	1	43	-1.0	-60.46	340.07	3.24	-57.22
COCCN1C=CC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=CC=C21	REAL300019783573	0	45	-1.0	-59.88	368.88	5.53	-54.35
COCCN1C=CC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=CC=C21	REAL300019783573	1	45	-1.0	-59.89	368.95	5.54	-54.35
CC(C)N1C=CC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=CC=C21	REAL300019783574	0	44	-1.0	-60.99	353.35	6.96	-54.03
CC(C)N1C=CC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=CC=C21	REAL300019783574	1	44	-1.0	-61.01	353.28	6.95	-54.06
C[C@@H](C(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019783575	0	37	-1.0	-53.28	308.27	5.44	-47.84
C[C@@H](C(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019783575	1	37	-1.0	-53.24	308.31	5.45	-47.79
CCC(CC(=O)N1CCSCC1C1=N[N-]N=N1)CC(F)(F)F	REAL300019783576	0	39	-1.0	-55.04	312.88	4.87	-50.17
CCC(CC(=O)N1CCSCC1C1=NN=N[N-]1)CC(F)(F)F	REAL300019783576	1	39	-1.0	-55.03	312.95	4.88	-50.15
O=C(C1=CC=NN1CC1CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019783577	0	38	-1.0	-49.43	313.02	4.11	-45.32
O=C(C1=CC=NN1CC1CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019783577	1	38	-1.0	-49.45	312.94	4.11	-45.34
O=C(C1CCC(F)(F)CO1)N1CCSCC1C1=N[N-]N=N1	REAL300019783578	0	35	-1.0	-59.58	289.84	3.25	-56.33
O=C(C1CCC(F)(F)CO1)N1CCSCC1C1=NN=N[N-]1	REAL300019783578	1	35	-1.0	-59.55	289.90	3.26	-56.29
C[C@@H]1C[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C[C@H](C)O1	REAL300019783579	0	41	-1.0	-53.54	317.36	3.37	-50.17
C[C@@H]1C[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C[C@H](C)O1	REAL300019783579	1	41	-1.0	-53.54	317.43	3.39	-50.15
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCSCC1C1=NN=N[N-]1	REAL300019783580	0	37	-1.0	-48.55	331.01	5.20	-43.35
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCSCC1C1=N[N-]N=N1	REAL300019783580	1	37	-1.0	-48.55	330.95	5.19	-43.36
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCSCC1C1=NN=N[N-]1	REAL300019783581	0	37	-1.0	-48.35	341.34	5.66	-42.69
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCSCC1C1=N[N-]N=N1	REAL300019783581	1	37	-1.0	-48.39	341.27	5.64	-42.75
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCSCC1C1=NN=N[N-]1	REAL300019783582	0	37	-1.0	-50.67	341.22	5.64	-45.03
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCSCC1C1=N[N-]N=N1	REAL300019783582	1	37	-1.0	-50.57	341.15	5.63	-44.94
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC2=CC(F)=CC(F)=C21	REAL300019783583	0	38	-1.0	-49.64	324.90	5.06	-44.58
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)NC2=CC(F)=CC(F)=C21	REAL300019783583	1	38	-1.0	-49.67	324.97	5.07	-44.60
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783584	0	54	-1.0	-52.56	413.89	4.23	-48.33
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783584	1	54	-1.0	-52.54	413.95	4.25	-48.29
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019783585	0	31	-1.0	-57.20	287.62	4.44	-52.76
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019783585	1	31	-1.0	-57.24	287.70	4.44	-52.80
COC(=O)CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783586	0	40	-1.0	-58.67	336.58	5.26	-53.41
COC(=O)CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783586	1	40	-1.0	-58.64	336.65	5.26	-53.38
NC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C(F)C(F)=C1F	REAL300019783587	0	33	-1.0	-42.48	290.81	2.30	-40.18
NC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C(F)C(F)=C1F	REAL300019783587	1	33	-1.0	-42.50	290.87	2.31	-40.19
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783588	0	54	-1.0	-68.57	410.89	5.87	-62.70
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783588	1	54	-1.0	-68.51	410.96	5.87	-62.64
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783589	0	48	-1.0	-64.30	372.19	4.00	-60.30
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783589	1	48	-1.0	-64.33	372.26	4.01	-60.32
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783590	0	56	-1.0	-45.83	398.98	5.47	-40.36
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783590	1	56	-1.0	-45.84	399.06	5.47	-40.37
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CO1	REAL300019783591	0	47	-1.0	-48.74	387.97	0.28	-48.46
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CO1	REAL300019783591	1	47	-1.0	-48.72	388.03	0.28	-48.44
CN(C)C1=CC=C(Br)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783592	0	39	-1.0	-53.79	328.86	4.80	-48.99
CN(C)C1=CC=C(Br)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783592	1	39	-1.0	-53.77	328.93	4.80	-48.97
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O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783593	1	41	-1.0	-57.98	341.01	2.36	-55.62
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CC1=CC2=C(C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)N2)O1	REAL300019783596	0	35	-1.0	-53.80	297.10	3.26	-50.54
CC1=CC2=C(C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)N2)O1	REAL300019783596	1	35	-1.0	-53.82	297.03	3.25	-50.57
CC(C)C1=CNC2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=NC2=C1	REAL300019783597	0	43	-1.0	-67.25	350.59	4.83	-62.42
CC(C)C1=CNC2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=NC2=C1	REAL300019783597	1	43	-1.0	-67.26	350.65	4.83	-62.43
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783598	0	33	-1.0	-69.13	306.13	3.38	-65.75
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783598	1	33	-1.0	-69.12	306.19	3.39	-65.73
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCSCC1C1=N[N-]N=N1	REAL300019783599	0	38	-1.0	-56.81	333.64	6.73	-50.08
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C=CCN(CCC(=O)N1CCSCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019783600	0	51	-1.0	-55.74	409.19	5.90	-49.84
C=CCN(CCC(=O)N1CCSCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019783600	1	51	-1.0	-55.75	409.26	5.89	-49.86
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL300019783601	0	40	-1.0	-53.48	322.08	6.66	-46.82
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL300019783601	1	40	-1.0	-53.44	322.02	6.66	-46.78
COC1=CC=CC(CCC(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019783602	0	40	-1.0	-51.73	335.94	2.49	-49.24
COC1=CC=CC(CCC(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019783602	1	40	-1.0	-51.74	336.01	2.50	-49.24
CN1N=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C2=C1CCOC2	REAL300019783603	0	39	-1.0	-57.55	318.08	2.26	-55.29
CN1N=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C2=C1CCOC2	REAL300019783603	1	39	-1.0	-57.51	318.15	2.29	-55.22
CC1=CC=CC([C@@H](C)C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783604	0	40	-1.0	-53.84	323.32	6.31	-47.53
CC1=CC=CC([C@@H](C)C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783604	1	40	-1.0	-53.84	323.38	6.30	-47.54
COC1=CC(C)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019783605	0	37	-1.0	-48.23	306.22	1.23	-47.00
COC1=CC(C)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019783605	1	37	-1.0	-48.24	306.29	1.24	-47.00
CN1C(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC2=C1C=CS2	REAL300019783606	0	35	-1.0	-50.30	303.13	4.52	-45.78
CN1C(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC2=C1C=CS2	REAL300019783606	1	35	-1.0	-50.29	303.06	4.51	-45.78
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=NN1CC(F)F	REAL300019783607	0	37	-1.0	-51.21	318.10	3.29	-47.92
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=NN1CC(F)F	REAL300019783607	1	37	-1.0	-51.25	318.16	3.29	-47.96
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=NN1C1CCC1	REAL300019783608	0	41	-1.0	-51.28	329.03	4.39	-46.89
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=NN1C1CCC1	REAL300019783608	1	41	-1.0	-51.30	329.11	4.40	-46.90
O=C(C1=C2CCCCC2=CN1)N1CCSCC1C1=N[N-]N=N1	REAL300019783609	0	39	-1.0	-56.55	309.02	4.76	-51.79
O=C(C1=C2CCCCC2=CN1)N1CCSCC1C1=NN=N[N-]1	REAL300019783609	1	39	-1.0	-56.61	309.08	4.77	-51.84
COCCOCC=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783610	0	39	-1.0	-59.37	329.50	1.78	-57.59
COCCOCC=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783610	1	39	-1.0	-59.36	329.57	1.79	-57.57
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)CO1	REAL300019783611	0	52	-1.0	-63.32	402.20	1.54	-61.78
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)CO1	REAL300019783611	1	52	-1.0	-63.40	402.27	1.54	-61.86
COC1(C(=O)N2CCSCC2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019783612	0	49	-1.0	-47.49	383.64	2.61	-44.88
COC1(C(=O)N2CCSCC2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019783612	1	49	-1.0	-47.53	383.70	2.61	-44.92
CC1=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)SC=C1	REAL300019783613	0	34	-1.0	-51.49	296.77	4.59	-46.90
CC1=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)SC=C1	REAL300019783613	1	34	-1.0	-51.53	296.84	4.60	-46.93
CCC(C(=O)N1CCSCC1C1=NN=N[N-]1)N1C=NC=N1	REAL300019783614	0	36	-1.0	-49.25	297.44	4.74	-44.51
CCC(C(=O)N1CCSCC1C1=N[N-]N=N1)N1C=NC=N1	REAL300019783614	1	36	-1.0	-49.19	297.39	4.73	-44.46
CC1=NN(CC(=O)N2CCSCC2C2=N[N-]N=N2)C(C)=C1C	REAL300019783615	0	40	-1.0	-58.74	329.67	3.90	-54.84
CC1=NN(CC(=O)N2CCSCC2C2=NN=N[N-]2)C(C)=C1C	REAL300019783615	1	40	-1.0	-58.77	329.74	3.90	-54.87
CC(=O)C1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CS1	REAL300019783616	0	32	-1.0	-52.76	292.38	2.42	-50.34
CC(=O)C1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CS1	REAL300019783616	1	32	-1.0	-52.70	292.44	2.44	-50.26
COC1=NN(C)C(Br)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783617	0	35	-1.0	-53.77	324.35	0.33	-53.44
COC1=NN(C)C(Br)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783617	1	35	-1.0	-53.75	324.28	0.31	-53.44
CC(=O)NC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(F)=C1	REAL300019783618	0	38	-1.0	-67.54	320.98	2.78	-64.76
CC(=O)NC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(F)=C1	REAL300019783618	1	38	-1.0	-67.54	321.05	2.78	-64.76
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCSCC1C1=N[N-]N=N1	REAL300019783619	0	34	-1.0	-54.35	309.72	4.13	-50.22
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCSCC1C1=NN=N[N-]1	REAL300019783619	1	34	-1.0	-54.33	309.79	4.13	-50.20
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C2)CC1	REAL300019783620	0	44	-1.0	-72.29	373.13	3.33	-68.96
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C2)CC1	REAL300019783620	1	44	-1.0	-72.28	373.21	3.34	-68.94
CC1=C2C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)SC2=C(C)S1	REAL300019783621	0	37	-1.0	-52.86	333.36	5.84	-47.02
CC1=C2C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)SC2=C(C)S1	REAL300019783621	1	37	-1.0	-52.86	333.44	5.84	-47.02
O=C(C1=CN2N=CC=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783622	0	34	-1.0	-55.96	287.14	3.61	-52.35
O=C(C1=CN2N=CC=C2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783622	1	34	-1.0	-55.99	287.05	3.61	-52.38
O=C(C1CCCC2=NN=CN21)N1CCSCC1C1=N[N-]N=N1	REAL300019783623	0	37	-1.0	-54.59	298.00	4.60	-49.99
O=C(C1CCCC2=NN=CN21)N1CCSCC1C1=NN=N[N-]1	REAL300019783623	1	37	-1.0	-54.58	298.05	4.60	-49.98
CC1(C)CCCC(CC(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019783624	0	44	-1.0	-56.23	337.14	4.90	-51.33
CC1(C)CCCC(CC(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019783624	1	44	-1.0	-56.29	337.21	4.91	-51.38
COC(C(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=CN=C1	REAL300019783625	0	37	-1.0	-61.77	310.14	2.78	-58.99
COC(C(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=CN=C1	REAL300019783625	1	37	-1.0	-61.76	310.09	2.78	-58.98
CCN1C(=O)CCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783626	0	38	-1.0	-59.74	303.74	3.01	-56.73
CCN1C(=O)CCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783626	1	38	-1.0	-59.75	303.81	3.01	-56.74
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCSCC1C1=N[N-]N=N1)C2	REAL300019783627	0	43	-1.0	-65.02	334.89	1.28	-63.74
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCSCC1C1=NN=N[N-]1)C2	REAL300019783627	1	43	-1.0	-65.02	334.95	1.29	-63.73
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783628	0	38	-1.0	-55.80	327.83	6.42	-49.38
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783628	1	38	-1.0	-55.83	327.89	6.41	-49.42
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCSCC1C1=N[N-]N=N1)=C2	REAL300019783629	0	45	-1.0	-61.72	364.72	5.68	-56.04
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCSCC1C1=NN=N[N-]1)=C2	REAL300019783629	1	45	-1.0	-61.67	364.79	5.69	-55.98
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783630	0	39	-1.0	-63.40	327.70	4.69	-58.71
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783630	1	39	-1.0	-63.44	327.78	4.71	-58.73
COC1=CC2=NC=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C2C=C1	REAL300019783631	0	40	-1.0	-52.28	328.40	3.73	-48.55
COC1=CC2=NC=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C2C=C1	REAL300019783631	1	40	-1.0	-52.21	328.34	3.69	-48.52
O=C(C1=CC=NC2=C1CCC2)N1CCSCC1C1=N[N-]N=N1	REAL300019783632	0	37	-1.0	-52.71	298.43	3.93	-48.78
O=C(C1=CC=NC2=C1CCC2)N1CCSCC1C1=NN=N[N-]1	REAL300019783632	1	37	-1.0	-52.71	298.50	3.93	-48.78
CCSC1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019783633	0	44	-1.0	-57.65	342.11	6.09	-51.56
CCSC1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019783633	1	44	-1.0	-57.66	342.18	6.11	-51.55
CC1=CC(CCC(=O)N2CCSCC2C2=N[N-]N=N2)=CC(C)=N1	REAL300019783634	0	42	-1.0	-51.31	347.66	5.20	-46.11
CC1=CC(CCC(=O)N2CCSCC2C2=NN=N[N-]2)=CC(C)=N1	REAL300019783634	1	42	-1.0	-51.37	347.73	5.19	-46.18
CC1=CC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019783635	0	40	-1.0	-55.35	327.34	6.73	-48.62
CC1=CC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019783635	1	40	-1.0	-55.39	327.28	6.73	-48.66
O=C(CCC1=CC=CC(=O)N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783636	0	37	-1.0	-54.47	314.20	2.53	-51.94
O=C(CCC1=CC=CC(=O)N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783636	1	37	-1.0	-54.47	314.26	2.53	-51.94
O=C(C1=CSC(Cl)=C1Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019783637	0	28	-1.0	-53.47	284.30	4.02	-49.45
O=C(C1=CSC(Cl)=C1Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019783637	1	28	-1.0	-53.48	284.36	4.01	-49.47
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783638	0	43	-1.0	-65.80	353.25	3.29	-62.51
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783638	1	43	-1.0	-65.80	353.32	3.30	-62.50
CC1=NN(C2CCC2)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783639	0	41	-1.0	-54.65	330.86	4.20	-50.45
CC1=NN(C2CCC2)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783639	1	41	-1.0	-54.63	330.92	4.20	-50.43
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783640	0	38	-1.0	-51.22	326.89	5.11	-46.11
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783640	1	38	-1.0	-51.18	326.82	5.10	-46.08
O=C(C1=CNC=C1Br)N1CCSCC1C1=N[N-]N=N1	REAL300019783641	0	29	-1.0	-59.65	267.10	2.34	-57.31
O=C(C1=CNC=C1Br)N1CCSCC1C1=NN=N[N-]1	REAL300019783641	1	29	-1.0	-59.68	267.17	2.35	-57.33
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783642	0	41	-1.0	-66.76	361.37	3.89	-62.87
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783642	1	41	-1.0	-66.79	361.44	3.88	-62.91
CCC1=C(C)SC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783643	0	37	-1.0	-53.11	310.50	5.02	-48.09
CCC1=C(C)SC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783643	1	37	-1.0	-53.11	310.57	5.03	-48.08
O=C(C1CC(OC(F)(F)F)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783644	0	35	-1.0	-48.19	306.71	2.75	-45.44
O=C(C1CC(OC(F)(F)F)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783644	1	35	-1.0	-48.25	306.78	2.76	-45.49
CS(=O)(=O)C1=COC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783645	0	34	-1.0	-60.32	307.28	-0.16	-60.48
CS(=O)(=O)C1=COC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783645	1	34	-1.0	-60.37	307.34	-0.15	-60.52
O=C(CC1=CC=C2COCCC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783646	0	42	-1.0	-52.82	341.90	5.02	-47.80
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CC1=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=C1Br	REAL300019783649	0	33	-1.0	-48.30	298.18	4.12	-44.18
CC1=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=C1Br	REAL300019783649	1	33	-1.0	-48.33	298.26	4.11	-44.22
COC1=CC(Br)=CN=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783650	0	34	-1.0	-52.46	309.36	3.58	-48.88
COC1=CC(Br)=CN=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783650	1	34	-1.0	-52.44	309.30	3.56	-48.88
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O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783653	0	38	-1.0	-62.00	324.23	5.10	-56.90
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CCN1N=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1C	REAL300019783654	0	36	-1.0	-47.06	299.93	2.23	-44.83
CCN1N=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1C	REAL300019783654	1	36	-1.0	-47.06	300.01	2.24	-44.82
CCC1=CC=C(N2C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)N=N2)C=C1	REAL300019783655	0	43	-1.0	-47.23	360.89	5.65	-41.58
CCC1=CC=C(N2C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)N=N2)C=C1	REAL300019783655	1	43	-1.0	-47.26	360.82	5.63	-41.63
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CN(C)C1=O	REAL300019783656	0	37	-1.0	-49.89	304.83	3.30	-46.59
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CN(C)C1=O	REAL300019783656	1	37	-1.0	-49.89	304.90	3.30	-46.59
O=C(CC1CCCC(F)(F)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783657	0	40	-1.0	-60.04	319.09	5.34	-54.70
O=C(CC1CCCC(F)(F)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783657	1	40	-1.0	-60.07	319.16	5.34	-54.73
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783658	0	52	-1.0	-53.15	389.21	8.47	-44.68
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783658	1	52	-1.0	-53.21	389.27	8.49	-44.72
O=C(CC1CC(C(F)F)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783659	0	37	-1.0	-50.73	307.75	4.86	-45.87
O=C(CC1CC(C(F)F)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783659	1	37	-1.0	-50.72	307.82	4.86	-45.86
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783660	0	42	-1.0	-51.15	347.06	5.84	-45.31
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783660	1	42	-1.0	-51.15	347.12	5.85	-45.30
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783661	0	39	-1.0	-60.31	336.46	3.95	-56.36
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783661	1	39	-1.0	-60.31	336.52	3.94	-56.37
CC1(C)CCC(=O)C2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC=C21	REAL300019783662	0	46	-1.0	-65.06	358.37	6.26	-58.80
CC1(C)CCC(=O)C2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC=C21	REAL300019783662	1	46	-1.0	-65.07	358.44	6.26	-58.81
CC1=CC(Cl)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)S1	REAL300019783663	0	31	-1.0	-53.18	291.04	4.29	-48.89
CC1=CC(Cl)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)S1	REAL300019783663	1	31	-1.0	-53.15	291.17	4.30	-48.85
O=C(C1CCC(=O)N(C2CC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783664	0	42	-1.0	-52.13	328.01	3.82	-48.31
O=C(C1CCC(=O)N(C2CC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783664	1	42	-1.0	-52.11	328.08	3.81	-48.30
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783665	0	47	-1.0	-53.88	372.17	3.76	-50.12
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783665	1	47	-1.0	-53.85	372.23	3.77	-50.08
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783666	0	44	-1.0	-59.32	360.17	5.39	-53.93
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783666	1	44	-1.0	-59.35	360.24	5.39	-53.96
N#CC1=CN=C(Cl)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783667	0	31	-1.0	-54.38	290.54	2.79	-51.59
N#CC1=CN=C(Cl)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783667	1	31	-1.0	-54.36	290.48	2.79	-51.57
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783668	0	36	-1.0	-75.99	298.80	2.39	-73.60
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783668	1	36	-1.0	-75.96	298.74	2.37	-73.59
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783669	0	41	-1.0	-50.61	341.34	3.60	-47.01
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783669	1	41	-1.0	-50.63	341.41	3.60	-47.03
CCC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1Cl	REAL300019783670	0	37	-1.0	-49.63	316.49	5.67	-43.96
CCC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1Cl	REAL300019783670	1	37	-1.0	-49.61	316.53	5.67	-43.94
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783671	0	45	-1.0	-50.65	365.54	3.16	-47.49
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783671	1	45	-1.0	-50.64	365.48	3.15	-47.49
O=C(C1=CC=C(CC2CC2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783672	0	41	-1.0	-52.97	335.01	6.82	-46.15
O=C(C1=CC=C(CC2CC2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783672	1	41	-1.0	-52.99	335.08	6.82	-46.17
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783673	0	34	-1.0	-51.21	308.22	4.78	-46.43
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783673	1	34	-1.0	-51.20	308.29	4.78	-46.42
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783674	0	33	-1.0	-57.42	308.65	4.11	-53.31
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783674	1	33	-1.0	-57.46	308.60	4.09	-53.37
N#CC1=CC=C(CCC(=O)N2CCSCC2C2=N[N-]N=N2)C(F)=C1	REAL300019783675	0	38	-1.0	-52.42	335.84	6.15	-46.27
N#CC1=CC=C(CCC(=O)N2CCSCC2C2=NN=N[N-]2)C(F)=C1	REAL300019783675	1	38	-1.0	-52.40	335.91	6.15	-46.25
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783676	0	37	-1.0	-56.65	315.36	1.10	-55.55
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783676	1	37	-1.0	-56.63	315.44	1.11	-55.52
O=C(C1=CN=C2CCCCC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783677	0	40	-1.0	-50.84	317.79	4.42	-46.42
O=C(C1=CN=C2CCCCC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783677	1	40	-1.0	-50.83	317.86	4.42	-46.41
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783678	0	39	-1.0	-48.71	326.67	6.05	-42.66
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783678	1	39	-1.0	-48.74	326.74	6.06	-42.68
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019783679	0	41	-1.0	-58.38	344.11	7.04	-51.34
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019783679	1	41	-1.0	-58.40	344.18	7.04	-51.36
COCCN1C=CC2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC=C21	REAL300019783680	0	45	-1.0	-57.80	369.14	5.52	-52.28
COCCN1C=CC2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC=C21	REAL300019783680	1	45	-1.0	-57.85	369.20	5.53	-52.32
CC(C)N1C=CC2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC=C21	REAL300019783681	0	44	-1.0	-58.48	353.01	6.92	-51.56
CC(C)N1C=CC2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC=C21	REAL300019783681	1	44	-1.0	-58.47	353.07	6.92	-51.55
O=C(C=CC1=CC=C2OCOC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783682	0	38	-1.0	-56.82	323.08	4.09	-52.73
O=C(C=CC1=CC=C2OCOC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783682	1	38	-1.0	-56.83	323.14	4.10	-52.73
CC1(C)COCCC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783683	0	41	-1.0	-54.64	305.52	3.11	-51.53
CC1(C)COCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783683	1	41	-1.0	-54.64	305.58	3.12	-51.52
O=C(C1=CC=CC2=NN=CN21)N1CCSCC1C1=NN=N[N-]1	REAL300019783684	0	33	-1.0	-53.57	288.62	5.26	-48.31
O=C(C1=CC=CC2=NN=CN21)N1CCSCC1C1=N[N-]N=N1	REAL300019783684	1	33	-1.0	-53.60	288.56	5.25	-48.35
C=CCOCC(C(=O)N1CCSCC1C1=N[N-]N=N1)C(C)(C)C	REAL300019783685	0	47	-1.0	-46.93	359.12	5.15	-41.78
C=CCOCC(C(=O)N1CCSCC1C1=NN=N[N-]1)C(C)(C)C	REAL300019783685	1	47	-1.0	-46.90	359.19	5.18	-41.72
CC12CCCN1S(=O)(=O)C(C(=O)N1CCSCC1C1=N[N-]N=N1)C2	REAL300019783686	0	43	-1.0	-57.20	345.25	0.66	-56.54
CC12CCCN1S(=O)(=O)C(C(=O)N1CCSCC1C1=NN=N[N-]1)C2	REAL300019783686	1	43	-1.0	-57.24	345.33	0.67	-56.57
CN1N=CC(C(F)F)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783687	0	34	-1.0	-51.71	299.00	2.74	-48.97
CN1N=CC(C(F)F)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783687	1	34	-1.0	-51.66	298.94	2.73	-48.93
CC1=NN(C2CCC2)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783688	0	41	-1.0	-50.84	327.04	4.54	-46.30
CC1=NN(C2CCC2)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783688	1	41	-1.0	-50.86	327.11	4.53	-46.33
O=C(C1=CC=NN1CCC(F)(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783689	0	37	-1.0	-50.68	323.04	3.69	-46.99
O=C(C1=CC=NN1CCC(F)(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783689	1	37	-1.0	-50.69	322.97	3.67	-47.02
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783690	0	42	-1.0	-55.42	359.12	6.28	-49.14
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783690	1	42	-1.0	-55.37	359.18	6.29	-49.08
CC1(C)CCCOC1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783691	0	44	-1.0	-55.72	331.86	4.52	-51.20
CC1(C)CCCOC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783691	1	44	-1.0	-55.74	331.93	4.53	-51.21
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783692	0	37	-1.0	-44.15	334.23	3.25	-40.90
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783692	1	37	-1.0	-44.15	334.27	3.26	-40.89
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019783693	0	35	-1.0	-57.20	319.27	5.98	-51.22
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019783693	1	35	-1.0	-57.23	319.34	5.98	-51.25
CC(=O)NC(COC(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783694	0	44	-1.0	-58.16	350.55	1.81	-56.35
CC(=O)NC(COC(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783694	1	44	-1.0	-58.17	350.61	1.81	-56.36
CC1(C)OCC(CCC(=O)N2CCSCC2C2=N[N-]N=N2)O1	REAL300019783695	0	42	-1.0	-52.10	339.68	3.12	-48.98
CC1(C)OCC(CCC(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019783695	1	42	-1.0	-52.07	339.74	3.12	-48.95
CCCCOC1=CC=C(C=CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783696	0	48	-1.0	-54.40	391.31	7.24	-47.16
CCCCOC1=CC=C(C=CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783696	1	48	-1.0	-54.41	391.37	7.24	-47.17
COC1=CC2=CC=C(CC(=O)N3CCSCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019783697	0	44	-1.0	-55.23	363.62	6.49	-48.74
COC1=CC2=CC=C(CC(=O)N3CCSCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019783697	1	44	-1.0	-55.22	363.69	6.48	-48.74
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783698	0	49	-1.0	-49.52	356.88	7.34	-42.18
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783698	1	49	-1.0	-49.54	356.94	7.36	-42.18
O=C(C1=CC=C2C=COC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783699	0	34	-1.0	-57.12	287.12	4.16	-52.96
O=C(C1=CC=C2C=COC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783699	1	34	-1.0	-57.19	287.05	4.16	-53.03
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783700	0	31	-1.0	-46.49	292.44	4.54	-41.95
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783700	1	31	-1.0	-46.51	292.50	4.54	-41.97
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019783701	0	37	-1.0	-56.37	324.92	4.88	-51.49
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019783701	1	37	-1.0	-56.38	324.99	4.87	-51.51
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783702	0	36	-1.0	-50.85	313.05	4.63	-46.22
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783702	1	36	-1.0	-50.86	312.99	4.62	-46.24
COC(=O)C1=CC=C(C=CC(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019783703	0	40	-1.0	-54.28	347.63	4.26	-50.02
COC(=O)C1=CC=C(C=CC(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019783703	1	40	-1.0	-54.26	347.70	4.27	-49.99
CC1=C(C)NC(=O)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783704	0	37	-1.0	-59.53	300.69	2.10	-57.43
CC1=C(C)NC(=O)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783704	1	37	-1.0	-59.56	300.76	2.09	-57.47
CCN1N=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1C	REAL300019783705	0	37	-1.0	-55.89	307.44	3.63	-52.26
CCN1N=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1C	REAL300019783705	1	37	-1.0	-55.93	307.51	3.63	-52.30
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783706	0	40	-1.0	-51.41	343.99	6.43	-44.98
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783706	1	40	-1.0	-51.41	344.06	6.42	-44.99
CC(CC(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300019783707	0	40	-1.0	-51.51	335.69	6.30	-45.21
CC(CC(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300019783707	1	40	-1.0	-51.55	335.76	6.29	-45.26
CCCN1C=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783708	0	38	-1.0	-52.55	309.71	5.00	-47.55
CCCN1C=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783708	1	38	-1.0	-52.57	309.78	5.00	-47.57
CC(C)(C)N1C=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019783709	0	43	-1.0	-57.12	350.98	4.73	-52.39
CC(C)(C)N1C=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019783709	1	43	-1.0	-57.07	350.92	4.73	-52.34
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019783710	0	38	-1.0	-60.48	323.61	3.90	-56.58
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019783710	1	38	-1.0	-60.50	323.68	3.90	-56.60
CCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300019783711	0	39	-1.0	-56.45	343.97	3.25	-53.20
CCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300019783711	1	39	-1.0	-56.46	344.06	3.25	-53.21
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783712	0	34	-1.0	-47.28	306.50	4.12	-43.16
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783712	1	34	-1.0	-47.24	306.56	4.13	-43.11
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783713	0	41	-1.0	-62.67	337.55	4.86	-57.81
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783713	1	41	-1.0	-62.66	337.61	4.86	-57.80
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783714	0	43	-1.0	-50.79	361.45	2.61	-48.18
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783714	1	43	-1.0	-50.76	361.52	2.61	-48.15
CC1=NNC2=C1CC(C(=O)N1CCSCC1C1=N[N-]N=N1)CC2	REAL300019783715	0	41	-1.0	-56.35	324.92	3.31	-53.04
CC1=NNC2=C1CC(C(=O)N1CCSCC1C1=NN=N[N-]1)CC2	REAL300019783715	1	41	-1.0	-56.38	324.99	3.32	-53.06
CC1=C2CC(C(=O)N3CCSCC3C3=N[N-]N=N3)CCC2=NN1	REAL300019783715	1	41	-1.0	-53.47	327.40	3.37	-50.10
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783716	0	42	-1.0	-54.09	347.99	4.12	-49.97
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783716	1	42	-1.0	-54.13	348.06	4.11	-50.02
CSC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019783717	0	37	-1.0	-49.39	323.80	5.36	-44.03
CSC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019783717	1	37	-1.0	-49.42	323.86	5.36	-44.06
NS(=O)(=O)C1=COC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783718	0	33	-1.0	-57.89	300.74	-2.74	-60.63
NS(=O)(=O)C1=COC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783718	1	33	-1.0	-57.88	300.79	-2.72	-60.60
N#CC1=CC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=NN2C=C1	REAL300019783719	0	35	-1.0	-58.08	310.68	4.04	-54.04
N#CC1=CC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=NN2C=C1	REAL300019783719	1	35	-1.0	-58.10	310.61	4.03	-54.07
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783720	0	41	-1.0	-51.26	344.77	5.04	-46.22
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783720	1	41	-1.0	-51.25	344.86	5.05	-46.20
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783721	0	45	-1.0	-63.72	365.95	3.12	-60.60
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783721	1	45	-1.0	-63.77	366.01	3.12	-60.65
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019783722	0	35	-1.0	-46.86	321.67	2.54	-44.32
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019783722	1	35	-1.0	-46.87	321.73	2.57	-44.30
O=C(C1=CN2N=NC=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783723	0	33	-1.0	-57.48	281.69	2.31	-55.17
O=C(C1=CN2N=NC=C2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783723	1	33	-1.0	-57.48	281.63	2.30	-55.18
C[C@@H]1CC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)NN=C2[C@H](C)O1	REAL300019783724	0	42	-1.0	-49.88	338.80	2.34	-47.54
C[C@@H]1CC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)NN=C2[C@H](C)O1	REAL300019783724	1	42	-1.0	-49.92	338.86	2.33	-47.59
C[C@@H]1CC2=C(NN=C2C(=O)N2CCSCC2C2=N[N-]N=N2)[C@H](C)O1	REAL300019783724	1	42	-1.0	-53.93	338.37	2.47	-51.46
C[C@@H]1CC2=C(NN=C2C(=O)N2CCSCC2C2=NN=N[N-]2)[C@H](C)O1	REAL300019783724	1	42	-1.0	-53.97	338.44	2.48	-51.49
O=C(CCC1=C(Br)C=CS1)N1CCSCC1C1=N[N-]N=N1	REAL300019783725	0	34	-1.0	-50.28	319.24	5.38	-44.90
O=C(CCC1=C(Br)C=CS1)N1CCSCC1C1=NN=N[N-]1	REAL300019783725	1	34	-1.0	-50.30	319.30	5.37	-44.93
O=C(CCNC1=CN=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783726	0	37	-1.0	-55.57	313.14	1.90	-53.67
O=C(CCNC1=CN=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783726	1	37	-1.0	-55.55	313.07	1.91	-53.64
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783727	0	52	-1.0	-62.98	394.69	6.88	-56.10
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783727	1	52	-1.0	-62.94	394.76	6.88	-56.06
O=C(CC1CC2(CCC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783728	0	41	-1.0	-54.11	324.98	5.87	-48.24
O=C(CC1CC2(CCC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783728	1	41	-1.0	-54.14	325.04	5.86	-48.28
O=C(C1CCCC(F)(F)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019783729	0	40	-1.0	-58.23	309.16	4.82	-53.41
O=C(C1CCCC(F)(F)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019783729	1	40	-1.0	-58.24	309.23	4.81	-53.43
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783730	0	38	-1.0	-55.45	316.44	3.32	-52.13
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783730	1	38	-1.0	-55.48	316.51	3.32	-52.16
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCSCC1C1=N[N-]N=N1	REAL300019783731	0	39	-1.0	-69.07	332.22	5.41	-63.66
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCSCC1C1=NN=N[N-]1	REAL300019783731	1	39	-1.0	-69.01	332.29	5.41	-63.60
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783732	0	38	-1.0	-56.16	321.52	6.05	-50.11
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783732	1	38	-1.0	-56.16	321.58	6.05	-50.11
O=C(CCCCCC(=O)N1CCSCC1C1=N[N-]N=N1)NC1=CC=CC=C1	REAL300019783733	0	50	-1.0	-65.30	406.38	6.57	-58.73
O=C(CCCCCC(=O)N1CCSCC1C1=NN=N[N-]1)NC1=CC=CC=C1	REAL300019783733	1	50	-1.0	-65.31	406.44	6.57	-58.74
O=C(C1CCC2=CC=NN2C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783734	0	38	-1.0	-51.34	307.73	3.32	-48.02
O=C(C1CCC2=CC=NN2C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783734	1	38	-1.0	-51.38	307.79	3.31	-48.07
O=C(C1=C2C=NSC2=CC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783735	0	33	-1.0	-57.43	289.24	3.88	-53.55
O=C(C1=C2C=NSC2=CC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783735	1	33	-1.0	-57.44	289.16	3.87	-53.57
O=C(C1=CC=CC2=NON=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783736	0	32	-1.0	-64.14	279.16	2.71	-61.43
O=C(C1=CC=CC2=NON=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783736	1	32	-1.0	-64.13	279.11	2.71	-61.42
CN1C=C(OCC(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019783737	0	35	-1.0	-58.21	301.94	2.47	-55.74
CN1C=C(OCC(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019783737	1	35	-1.0	-58.24	301.87	2.48	-55.76
CS(=O)(=O)C1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019783738	0	37	-1.0	-58.66	334.24	1.84	-56.82
CS(=O)(=O)C1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019783738	1	37	-1.0	-58.68	334.31	1.85	-56.83
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NO1	REAL300019783739	0	47	-1.0	-48.92	387.15	2.58	-46.34
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NO1	REAL300019783739	1	47	-1.0	-48.94	387.20	2.59	-46.35
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019783740	0	36	-1.0	-47.72	320.91	4.77	-42.95
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019783740	1	36	-1.0	-47.72	320.98	4.77	-42.95
CN(C)C1=CC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019783741	0	45	-1.0	-55.97	358.24	6.48	-49.49
CN(C)C1=CC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019783741	1	45	-1.0	-56.02	358.31	6.48	-49.54
COC1(CC(=O)N2CCSCC2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019783742	0	52	-1.0	-59.99	409.45	3.81	-56.18
COC1(CC(=O)N2CCSCC2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019783742	1	52	-1.0	-59.99	409.51	3.82	-56.17
C#CC1=CC=C(C2CC2C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783743	0	40	-1.0	-54.82	342.60	7.43	-47.39
C#CC1=CC=C(C2CC2C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783743	1	40	-1.0	-54.79	342.66	7.43	-47.36
CN1N=CC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300019783744	0	43	-1.0	-53.44	351.90	4.93	-48.51
CN1N=CC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300019783744	1	43	-1.0	-53.46	351.96	4.93	-48.53
O=C(C=CC1=CC=NC=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783745	0	34	-1.0	-53.85	292.10	3.66	-50.19
O=C(C=CC1=CC=NC=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783745	1	34	-1.0	-53.83	292.17	3.67	-50.16
COC1=CC=C(C=CC(=O)N2CCSCC2C2=N[N-]N=N2)C(OC)=C1OC	REAL300019783746	0	47	-1.0	-60.61	390.99	4.72	-55.89
COC1=CC=C(C=CC(=O)N2CCSCC2C2=NN=N[N-]2)C(OC)=C1OC	REAL300019783746	1	47	-1.0	-60.61	391.06	4.72	-55.89
O=C(C1=C2C(=O)NCCN2N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783747	0	36	-1.0	-67.28	301.34	-0.12	-67.40
O=C(C1=C2C(=O)NCCN2N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783747	1	36	-1.0	-67.31	301.26	-0.12	-67.43
CC=CC1=CC=C(OCC(=O)N2CCSCC2C2=N[N-]N=N2)C(OC)=C1	REAL300019783748	0	46	-1.0	-63.34	379.09	6.42	-56.92
CC=CC1=CC=C(OCC(=O)N2CCSCC2C2=NN=N[N-]2)C(OC)=C1	REAL300019783748	1	46	-1.0	-63.33	379.16	6.42	-56.91
O=C(C1CC(=O)CC12CCC2)N1CCSCC1C1=N[N-]N=N1	REAL300019783749	0	40	-1.0	-50.81	309.13	4.53	-46.28
O=C(C1CC(=O)CC12CCC2)N1CCSCC1C1=NN=N[N-]1	REAL300019783749	1	40	-1.0	-50.82	309.20	4.54	-46.28
CC1=CNC2=NC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C12	REAL300019783750	0	37	-1.0	-54.83	308.18	3.70	-51.13
CC1=CNC2=NC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C12	REAL300019783750	1	37	-1.0	-54.81	308.11	3.70	-51.11
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019783751	0	38	-1.0	-55.58	322.70	2.50	-53.08
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019783751	1	38	-1.0	-55.60	322.77	2.51	-53.09
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019783752	0	48	-1.0	-52.23	373.12	6.73	-45.50
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019783752	1	48	-1.0	-52.24	373.15	6.75	-45.49
CC1=NN=C(CC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2)O1	REAL300019783753	0	42	-1.0	-58.25	354.54	1.20	-57.05
CC1=NN=C(CC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2)O1	REAL300019783753	1	42	-1.0	-58.28	354.60	1.20	-57.08
O=C(C1CC2=CC=CN=C2C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783754	0	37	-1.0	-52.48	300.30	3.97	-48.51
O=C(C1CC2=CC=CN=C2C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783754	1	37	-1.0	-52.49	300.37	3.98	-48.51
O=C(C1CC(C2CC2)=NO1)N1CCSCC1C1=N[N-]N=N1	REAL300019783755	0	36	-1.0	-62.78	301.45	3.91	-58.87
O=C(C1CC(C2CC2)=NO1)N1CCSCC1C1=NN=N[N-]1	REAL300019783755	1	36	-1.0	-62.80	301.52	3.92	-58.88
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783756	0	43	-1.0	-53.13	355.83	7.58	-45.55
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783756	1	43	-1.0	-53.14	355.90	7.58	-45.56
CC1=CC2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL300019783757	0	39	-1.0	-50.30	328.58	4.84	-45.46
CC1=CC2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL300019783757	1	39	-1.0	-50.33	328.51	4.84	-45.49
CN1C=C(C2=NC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CO2)C=N1	REAL300019783758	0	37	-1.0	-51.24	323.79	1.51	-49.73
CN1C=C(C2=NC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CO2)C=N1	REAL300019783758	1	37	-1.0	-51.21	323.73	1.49	-49.72
COC1=C2C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)NC2=C(C)C=C1	REAL300019783759	0	42	-1.0	-55.79	345.33	4.31	-51.48
COC1=C2C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)NC2=C(C)C=C1	REAL300019783759	1	42	-1.0	-55.79	345.26	4.31	-51.48
CCCCOC1=CC=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783760	0	47	-1.0	-53.20	382.51	6.74	-46.46
CCCCOC1=CC=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783760	1	47	-1.0	-53.21	382.58	6.74	-46.47
COC1=NC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019783761	0	40	-1.0	-52.06	333.17	2.70	-49.36
COC1=NC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019783761	1	40	-1.0	-52.08	333.10	2.70	-49.38
CC1=CN2C(C(=O)N3CCSCC3C3=NN=N[N-]3)=CN=C2S1	REAL300019783762	0	34	-1.0	-52.85	300.79	4.22	-48.63
CC1=CN2C(C(=O)N3CCSCC3C3=N[N-]N=N3)=CN=C2S1	REAL300019783762	1	34	-1.0	-52.87	300.72	4.22	-48.65
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783763	0	41	-1.0	-49.95	357.65	5.27	-44.68
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783763	1	41	-1.0	-49.95	357.72	5.26	-44.69
O=C(C1=CC(Cl)=C(Cl)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783764	0	28	-1.0	-47.60	286.35	4.08	-43.52
O=C(C1=CC(Cl)=C(Cl)S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783764	1	28	-1.0	-47.58	286.47	4.08	-43.50
CC(C)(C)C1=CC=NC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783765	0	42	-1.0	-54.25	334.82	5.37	-48.88
CC(C)(C)C1=CC=NC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783765	1	42	-1.0	-54.28	334.76	5.37	-48.91
COC1CC2(C1)CCC(C(=O)N1CCSCC1C1=N[N-]N=N1)CC2	REAL300019783766	0	48	-1.0	-55.87	366.01	4.95	-50.92
COC1CC2(C1)CCC(C(=O)N1CCSCC1C1=NN=N[N-]1)CC2	REAL300019783766	1	48	-1.0	-55.87	366.08	4.96	-50.91
CCCC(CCC1=CC=CC=C1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783767	0	49	-1.0	-54.69	380.14	8.22	-46.47
CCCC(CCC1=CC=CC=C1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783767	1	49	-1.0	-54.71	380.21	8.22	-46.49
CCC(C)(C)C1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019783768	0	52	-1.0	-53.20	371.07	6.78	-46.42
CCC(C)(C)C1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019783768	1	52	-1.0	-53.21	371.15	6.78	-46.43
CC1=CC2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CN=C2C=C1	REAL300019783769	0	39	-1.0	-51.45	322.56	4.77	-46.68
CC1=CC2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CN=C2C=C1	REAL300019783769	1	39	-1.0	-51.48	322.49	4.77	-46.71
CN1C=C(C2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=NO2)N=N1	REAL300019783770	0	36	-1.0	-57.49	317.55	2.29	-55.20
CN1C=C(C2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=NO2)N=N1	REAL300019783770	1	36	-1.0	-57.45	317.60	2.30	-55.15
O=C(C1COC2COCC21)N1CCSCC1C1=N[N-]N=N1	REAL300019783771	0	37	-1.0	-55.83	284.15	0.43	-55.40
O=C(C1COC2COCC21)N1CCSCC1C1=NN=N[N-]1	REAL300019783771	1	37	-1.0	-55.87	284.22	0.44	-55.43
O=C(C1CCC2(CC(=O)C2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019783772	0	43	-1.0	-57.09	335.98	5.10	-51.99
O=C(C1CCC2(CC(=O)C2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019783772	1	43	-1.0	-57.12	336.05	5.10	-52.02
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783773	0	38	-1.0	-63.12	315.57	3.56	-59.56
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783773	1	38	-1.0	-63.15	315.63	3.57	-59.58
CCC(CCC1=CC=CC=C1)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783774	0	46	-1.0	-54.89	358.02	7.28	-47.61
CCC(CCC1=CC=CC=C1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783774	1	46	-1.0	-54.95	358.09	7.29	-47.66
COC1(C(F)(F)C(=O)N2CCSCC2C2=N[N-]N=N2)CCCC1	REAL300019783775	0	41	-1.0	-46.57	318.62	4.10	-42.47
COC1(C(F)(F)C(=O)N2CCSCC2C2=NN=N[N-]2)CCCC1	REAL300019783775	1	41	-1.0	-46.55	318.67	4.10	-42.45
O=C(CCC1=CC=C2CCOCC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783776	0	45	-1.0	-52.14	363.27	5.83	-46.31
O=C(CCC1=CC=C2CCOCC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783776	1	45	-1.0	-52.07	363.34	5.83	-46.24
O=C(C1CC12CCC(F)(F)CC2)N1CCSCC1C1=N[N-]N=N1	REAL300019783777	0	41	-1.0	-53.24	324.58	5.88	-47.36
O=C(C1CC12CCC(F)(F)CC2)N1CCSCC1C1=NN=N[N-]1	REAL300019783777	1	41	-1.0	-53.25	324.63	5.90	-47.35
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N=C1Br	REAL300019783778	0	33	-1.0	-48.90	298.17	4.03	-44.87
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N=C1Br	REAL300019783778	1	33	-1.0	-48.88	298.10	4.03	-44.85
CN(C)C1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019783779	0	41	-1.0	-50.08	340.62	5.12	-44.96
CN(C)C1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019783779	1	41	-1.0	-50.09	340.69	5.12	-44.97
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCSCC1C1=NN=N[N-]1	REAL300019783780	0	35	-1.0	-48.85	311.20	3.89	-44.96
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCSCC1C1=N[N-]N=N1	REAL300019783780	1	35	-1.0	-48.88	311.15	3.87	-45.01
COC(=O)C1=CSC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783781	0	34	-1.0	-59.45	308.05	3.53	-55.92
COC(=O)C1=CSC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783781	1	34	-1.0	-59.47	308.12	3.53	-55.94
CC(C)(C)C1=CN=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783782	0	42	-1.0	-50.74	331.42	4.26	-46.48
CC(C)(C)C1=CN=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783782	1	42	-1.0	-50.77	331.36	4.25	-46.52
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783783	0	39	-1.0	-50.75	351.96	6.21	-44.54
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783783	1	39	-1.0	-50.74	352.03	6.23	-44.51
COC1CC(CC(=O)N2CCSCC2C2=N[N-]N=N2)C1(C)C	REAL300019783784	0	44	-1.0	-57.40	344.50	4.13	-53.27
COC1CC(CC(=O)N2CCSCC2C2=NN=N[N-]2)C1(C)C	REAL300019783784	1	44	-1.0	-57.44	344.56	4.14	-53.30
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=NN21	REAL300019783785	0	45	-1.0	-62.67	359.73	5.30	-57.37
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=NN21	REAL300019783785	1	45	-1.0	-62.67	359.68	5.28	-57.39
O=C(C1CCC2(CC2(F)F)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783786	0	38	-1.0	-51.78	314.89	5.23	-46.55
O=C(C1CCC2(CC2(F)F)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783786	1	38	-1.0	-51.76	314.96	5.23	-46.53
O=C(C1CCCC2C1C2(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783787	0	38	-1.0	-60.26	299.81	4.82	-55.44
O=C(C1CCCC2C1C2(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783787	1	38	-1.0	-60.31	299.87	4.82	-55.49
C=C1CC2(C1)CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C2	REAL300019783788	0	39	-1.0	-52.40	315.77	5.53	-46.87
C=C1CC2(C1)CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C2	REAL300019783788	1	39	-1.0	-52.40	315.85	5.54	-46.86
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783789	0	42	-1.0	-61.19	339.41	5.51	-55.68
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783789	1	42	-1.0	-61.21	339.48	5.52	-55.69
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300019783790	0	37	-1.0	-57.98	324.14	3.17	-54.81
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300019783790	1	37	-1.0	-58.01	324.20	3.18	-54.83
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783791	0	42	-1.0	-66.74	326.36	2.98	-63.76
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783791	1	42	-1.0	-66.80	326.44	2.99	-63.81
CCC1=CC=C(C(=O)C(=O)N2CCSCC2C2=N[N-]N=N2)S1	REAL300019783792	0	36	-1.0	-46.09	318.87	4.71	-41.38
CCC1=CC=C(C(=O)C(=O)N2CCSCC2C2=NN=N[N-]2)S1	REAL300019783792	1	36	-1.0	-46.13	318.93	4.71	-41.42
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783793	0	49	-1.0	-52.00	387.11	3.48	-48.52
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783793	1	49	-1.0	-52.03	387.18	3.47	-48.56
O=C(C1=CC(C2CCCC2)=NN1)N1CCSCC1C1=N[N-]N=N1	REAL300019783794	0	41	-1.0	-49.02	327.36	3.81	-45.21
O=C(C1=CC(C2CCCC2)=NN1)N1CCSCC1C1=NN=N[N-]1	REAL300019783794	1	41	-1.0	-49.04	327.43	3.81	-45.23
CC1(C)OC2=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300019783795	0	43	-1.0	-56.12	350.21	2.38	-53.74
CC1(C)OC2=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300019783795	1	43	-1.0	-56.13	350.28	2.39	-53.74
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCSCC1C1=N[N-]N=N1	REAL300019783796	0	39	-1.0	-54.95	317.41	3.12	-51.83
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCSCC1C1=NN=N[N-]1	REAL300019783796	1	39	-1.0	-54.98	317.47	3.13	-51.85
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C21	REAL300019783797	0	39	-1.0	-56.48	331.06	2.69	-53.79
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C21	REAL300019783797	1	39	-1.0	-56.43	331.13	2.71	-53.72
COC(=O)C1=CC=CC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=CC=C12	REAL300019783798	0	43	-1.0	-52.64	354.41	6.76	-45.88
COC(=O)C1=CC=CC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=CC=C12	REAL300019783798	1	43	-1.0	-52.63	354.36	6.74	-45.89
O=C(C1=CN=CC2=C1CCNC2=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783799	0	38	-1.0	-47.80	313.02	0.40	-47.40
O=C(C1=CN=CC2=C1CCNC2=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783799	1	38	-1.0	-47.84	313.09	0.39	-47.45
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=NC=C1C(F)F	REAL300019783800	0	36	-1.0	-53.74	308.42	4.38	-49.36
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=NC=C1C(F)F	REAL300019783800	1	36	-1.0	-53.79	308.49	4.39	-49.40
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783801	0	39	-1.0	-61.90	329.63	2.16	-59.74
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783801	1	39	-1.0	-61.98	329.63	2.17	-59.81
CN(C)C(=O)C1=CN=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783802	0	40	-1.0	-47.94	330.06	2.93	-45.01
CN(C)C(=O)C1=CN=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783802	1	40	-1.0	-47.96	330.02	2.91	-45.05
O=C(C1CCC2C1C2(F)F)N1CCSCC1C1=N[N-]N=N1	REAL300019783803	0	35	-1.0	-57.76	284.61	4.45	-53.31
O=C(C1CCC2C1C2(F)F)N1CCSCC1C1=NN=N[N-]1	REAL300019783803	1	35	-1.0	-57.79	284.68	4.46	-53.33
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783804	0	35	-1.0	-50.13	315.16	3.87	-46.26
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783804	1	35	-1.0	-50.14	315.10	3.86	-46.28
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783805	0	51	-1.0	-51.11	401.79	1.90	-49.21
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783805	1	51	-1.0	-51.04	401.85	1.91	-49.13
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783806	0	54	-1.0	-66.47	412.26	5.47	-61.00
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783806	1	54	-1.0	-66.51	412.34	5.48	-61.03
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783807	0	51	-1.0	-51.93	386.62	3.82	-48.11
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783807	1	51	-1.0	-51.93	386.68	3.83	-48.10
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019783808	0	52	-1.0	-59.84	411.67	4.39	-55.45
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019783808	1	52	-1.0	-59.80	411.74	4.40	-55.40
COC1=CC=CC=C1OC(C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783809	0	42	-1.0	-64.17	341.25	4.84	-59.33
COC1=CC=CC=C1OC(C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783809	1	42	-1.0	-64.20	341.32	4.84	-59.36
CC1=C(Cl)C=NN1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783810	0	34	-1.0	-55.41	305.62	3.24	-52.17
CC1=C(Cl)C=NN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783810	1	34	-1.0	-55.46	305.69	3.23	-52.23
CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300019783811	0	45	-1.0	-65.83	363.38	2.30	-63.53
CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300019783811	1	45	-1.0	-65.78	363.44	2.30	-63.48
CCC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL300019783812	0	40	-1.0	-51.68	349.40	5.97	-45.71
CCC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300019783812	1	40	-1.0	-51.67	349.46	5.98	-45.69
O=C(C1CCC(C2CCCO2)O1)N1CCSCC1C1=N[N-]N=N1	REAL300019783813	0	43	-1.0	-57.77	335.98	3.67	-54.10
O=C(C1CCC(C2CCCO2)O1)N1CCSCC1C1=NN=N[N-]1	REAL300019783813	1	43	-1.0	-57.79	336.05	3.67	-54.12
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019783814	0	34	-1.0	-53.32	312.37	5.21	-48.11
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019783814	1	34	-1.0	-53.31	312.43	5.22	-48.09
CC1=CC(F)=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019783815	0	36	-1.0	-51.25	309.53	5.06	-46.19
CC1=CC(F)=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019783815	1	36	-1.0	-51.31	309.59	5.05	-46.26
CN1N=NC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=CC=C21	REAL300019783816	0	36	-1.0	-73.15	303.38	2.39	-70.76
CN1N=NC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=CC=C21	REAL300019783816	1	36	-1.0	-73.20	303.31	2.38	-70.82
O=C(C1=CN=C2OCCCC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783817	0	38	-1.0	-51.21	308.67	1.27	-49.94
O=C(C1=CN=C2OCCCC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783817	1	38	-1.0	-51.21	308.60	1.25	-49.96
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCSCC1C1=N[N-]N=N1	REAL300019783818	0	36	-1.0	-45.33	314.07	3.23	-42.10
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCSCC1C1=NN=N[N-]1	REAL300019783818	1	36	-1.0	-45.32	314.14	3.23	-42.09
O=C(N1CCSCC1C1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL300019783819	0	40	-1.0	-44.94	338.88	6.53	-38.41
O=C(N1CCSCC1C1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300019783819	1	40	-1.0	-44.97	338.95	6.54	-38.43
CC1=CC2=C(C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)S2)S1	REAL300019783820	0	34	-1.0	-52.67	311.31	5.18	-47.49
CC1=CC2=C(C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)S2)S1	REAL300019783820	1	34	-1.0	-52.67	311.37	5.18	-47.49
O=C(CC12CCC(CC1)C2)N1CCSCC1C1=N[N-]N=N1	REAL300019783821	0	41	-1.0	-54.29	311.78	5.49	-48.80
O=C(CC12CCC(CC1)C2)N1CCSCC1C1=NN=N[N-]1	REAL300019783821	1	41	-1.0	-54.29	311.85	5.50	-48.79
O=C(C1CC=CC2=CC=CC=C21)N1CCSCC1C1=N[N-]N=N1	REAL300019783822	0	39	-1.0	-53.48	318.56	6.25	-47.23
O=C(C1CC=CC2=CC=CC=C21)N1CCSCC1C1=NN=N[N-]1	REAL300019783822	1	39	-1.0	-53.51	318.63	6.27	-47.24
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783823	0	42	-1.0	-53.73	358.83	0.64	-53.09
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783823	1	42	-1.0	-53.78	358.90	0.65	-53.13
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCSCC1C1=N[N-]N=N1	REAL300019783824	0	37	-1.0	-49.17	338.02	6.29	-42.88
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCSCC1C1=NN=N[N-]1	REAL300019783824	1	37	-1.0	-49.17	338.08	6.29	-42.88
O=C(C1=CN2C=NN=C2C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019783825	0	32	-1.0	-48.91	280.87	4.14	-44.77
O=C(C1=CN2C=NN=C2C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019783825	1	32	-1.0	-48.85	280.79	4.12	-44.73
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019783826	0	44	-1.0	-51.23	370.21	7.93	-43.30
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019783826	1	44	-1.0	-51.26	370.27	7.93	-43.33
CN1N=CC(C#N)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783827	0	32	-1.0	-50.65	291.56	2.16	-48.49
CN1N=CC(C#N)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783827	1	32	-1.0	-50.64	291.50	2.14	-48.50
CON(CCC(=O)N1CCSCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019783828	0	48	-1.0	-52.09	387.08	4.32	-47.77
CON(CCC(=O)N1CCSCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019783828	1	48	-1.0	-52.08	387.15	4.32	-47.76
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783829	0	33	-1.0	-49.56	301.02	1.68	-47.88
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783829	1	33	-1.0	-49.60	301.09	1.68	-47.92
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783830	0	44	-1.0	-49.30	360.46	2.83	-46.47
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783830	1	44	-1.0	-49.33	360.52	2.85	-46.48
O=C(C1=CC=CC2=NC=CC=C12)N1CCSCC1C1=NN=N[N-]1	REAL300019783831	0	36	-1.0	-54.37	299.09	4.37	-50.00
O=C(C1=CC=CC2=NC=CC=C12)N1CCSCC1C1=N[N-]N=N1	REAL300019783831	1	36	-1.0	-54.35	299.04	4.36	-49.99
COC(=O)C1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C(F)C=N1	REAL300019783832	0	36	-1.0	-50.69	316.26	2.79	-47.90
COC(=O)C1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C(F)C=N1	REAL300019783832	1	36	-1.0	-50.70	316.19	2.77	-47.93
CC1=CC2=C(OCC2)C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019783833	0	39	-1.0	-61.08	317.04	4.38	-56.70
CC1=CC2=C(OCC2)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019783833	1	39	-1.0	-61.07	317.09	4.39	-56.68
O=C(C1=C2SC=CC2=CN=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783834	0	33	-1.0	-54.41	290.92	3.34	-51.07
O=C(C1=C2SC=CC2=CN=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783834	1	33	-1.0	-54.40	290.85	3.34	-51.06
CC(C)C(C)C(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783835	0	45	-1.0	-51.25	332.42	5.52	-45.73
CC(C)C(C)C(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783835	1	45	-1.0	-51.24	332.48	5.52	-45.72
COC1CC2(C1)CC(C(=O)N1CCSCC1C1=N[N-]N=N1)C2	REAL300019783836	0	42	-1.0	-53.06	336.72	4.01	-49.05
COC1CC2(C1)CC(C(=O)N1CCSCC1C1=NN=N[N-]1)C2	REAL300019783836	1	42	-1.0	-53.06	336.79	4.02	-49.04
CC(C)OCC1=CC=CC=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783837	0	47	-1.0	-54.44	379.57	6.43	-48.01
CC(C)OCC1=CC=CC=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783837	1	47	-1.0	-54.43	379.64	6.41	-48.02
CC1(C)CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CO1	REAL300019783838	0	41	-1.0	-49.93	313.99	3.16	-46.77
CC1(C)CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CO1	REAL300019783838	1	41	-1.0	-49.89	314.04	3.15	-46.74
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCSCC1C1=N[N-]N=N1	REAL300019783839	0	38	-1.0	-52.87	343.82	7.13	-45.74
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCSCC1C1=NN=N[N-]1	REAL300019783839	1	38	-1.0	-52.88	343.88	7.14	-45.74
O=C(CC1CCCNC(=O)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783840	0	41	-1.0	-71.57	320.49	1.78	-69.79
O=C(CC1CCCNC(=O)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783840	1	41	-1.0	-71.51	320.56	1.79	-69.72
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCSCC1C1=NN=N[N-]1	REAL300019783841	0	34	-1.0	-49.36	308.83	4.76	-44.60
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCSCC1C1=N[N-]N=N1	REAL300019783841	1	34	-1.0	-49.32	308.76	4.76	-44.56
CN1C=NC2=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=CC=C21	REAL300019783842	0	37	-1.0	-68.60	308.56	5.15	-63.45
CN1C=NC2=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=CC=C21	REAL300019783842	1	37	-1.0	-68.65	308.49	5.14	-63.51
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCSCC1C1=N[N-]N=N1	REAL300019783843	0	37	-1.0	-54.32	319.04	2.60	-51.72
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCSCC1C1=NN=N[N-]1	REAL300019783843	1	37	-1.0	-54.29	319.12	2.60	-51.69
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783844	0	41	-1.0	-58.84	347.38	0.25	-58.59
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783844	1	41	-1.0	-58.84	347.30	0.23	-58.61
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783845	0	31	-1.0	-42.18	302.76	0.15	-42.03
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783845	1	31	-1.0	-42.11	302.69	0.13	-41.98
O=C(C1=NC2=CC=CNC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019783846	0	34	-1.0	-71.11	290.72	2.95	-68.16
O=C(C1=NC2=CC=CNC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019783846	1	34	-1.0	-71.16	290.65	2.96	-68.20
COC1=C(Cl)C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C2=NC=CC=C21	REAL300019783847	0	40	-1.0	-58.29	348.75	4.49	-53.80
COC1=C(Cl)C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C2=NC=CC=C21	REAL300019783847	1	40	-1.0	-58.30	348.68	4.49	-53.81
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783848	0	46	-1.0	-54.41	379.39	4.51	-49.90
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783848	1	46	-1.0	-54.42	379.34	4.50	-49.92
O=C(C1C2C3CC1C(=O)C32)N1CCSCC1C1=N[N-]N=N1	REAL300019783849	0	35	-1.0	-64.58	285.98	3.82	-60.76
O=C(C1C2C3CC1C(=O)C32)N1CCSCC1C1=NN=N[N-]1	REAL300019783849	1	35	-1.0	-64.58	286.04	3.83	-60.75
O=C(C1=CC=CN2N=NC=C12)N1CCSCC1C1=NN=N[N-]1	REAL300019783850	0	33	-1.0	-56.45	290.41	2.82	-53.63
O=C(C1=CC=CN2N=NC=C12)N1CCSCC1C1=N[N-]N=N1	REAL300019783850	1	33	-1.0	-56.40	290.35	2.81	-53.59
CC(C)(O)C(F)(F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789202	0	37	-1.0	-38.32	297.06	-1.39	-39.71
CC(C)(O)C(F)(F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789202	1	37	-1.0	-38.29	297.12	-1.38	-39.67
C=CCOC1=CC(OC)=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789203	0	46	-1.0	-46.46	371.20	2.10	-44.36
C=CCOC1=CC(OC)=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789203	1	46	-1.0	-46.44	371.27	2.11	-44.33
CC1=CN=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(O)=C1	REAL300019789204	0	37	-1.0	-44.85	302.73	-0.45	-45.30
CC1=CN=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(O)=C1	REAL300019789204	1	37	-1.0	-44.86	302.80	-0.45	-45.31
CC1=CN=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C([O-])=C1	REAL300019789204	1	36	-2.0	-99.19	299.17	0.55	-98.64
CC1=CN=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C([O-])=C1	REAL300019789204	1	36	-2.0	-99.15	299.24	0.56	-98.59
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789205	0	44	-1.0	-46.69	371.77	2.65	-44.04
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789205	1	44	-1.0	-46.69	371.83	2.65	-44.04
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789206	0	48	-1.0	-41.34	398.88	3.36	-37.98
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789206	1	48	-1.0	-41.35	398.94	3.36	-37.99
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789207	0	45	-1.0	-41.25	361.73	-1.43	-42.68
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789207	1	45	-1.0	-41.28	361.67	-1.43	-42.71
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789208	0	46	-1.0	-43.23	384.45	4.91	-38.32
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789208	1	46	-1.0	-43.21	384.51	4.92	-38.29
CN1N=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1OC(F)F	REAL300019789209	0	38	-1.0	-45.44	322.97	-1.44	-46.88
CN1N=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1OC(F)F	REAL300019789209	1	38	-1.0	-45.47	322.90	-1.44	-46.91
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019789210	0	54	-1.0	-47.42	409.72	5.46	-41.96
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019789210	1	54	-1.0	-47.41	409.78	5.46	-41.95
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)NN=C1C1=CC=CC=C1	REAL300019789211	0	44	-1.0	-40.67	360.81	1.98	-38.69
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)NN=C1C1=CC=CC=C1	REAL300019789211	1	44	-1.0	-40.67	360.87	1.99	-38.68
CC1=C(C2=CC=CC=C2)NN=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789211	1	44	-1.0	-42.43	353.58	2.42	-40.01
N#CC1=CC=C(C(=O)NCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019789212	0	42	-1.0	-43.02	357.96	0.48	-42.54
N#CC1=CC=C(C(=O)NCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019789212	1	42	-1.0	-43.02	358.02	0.49	-42.53
O=C(C1=C2C=CC=NN2N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789213	0	36	-1.0	-48.20	302.22	-0.64	-48.84
O=C(C1=C2C=CC=NN2N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789213	1	36	-1.0	-48.21	302.15	-0.64	-48.85
CC1=CC(C)=NC(=O)N1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789214	0	42	-1.0	-60.46	341.61	-0.19	-60.65
CC1=CC(C)=NC(=O)N1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789214	1	42	-1.0	-60.45	341.67	-0.18	-60.63
CC1=C(Br)C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300019789215	0	37	-1.0	-51.92	326.23	-0.51	-52.43
CC1=C(Br)C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300019789215	1	37	-1.0	-51.90	326.30	-0.51	-52.41
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789216	0	42	-2.0	-83.41	344.03	-2.09	-85.50
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789216	1	42	-2.0	-83.38	344.09	-2.08	-85.46
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019789217	0	48	-1.0	-48.92	400.49	-0.67	-49.59
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019789217	1	48	-1.0	-48.94	400.56	-0.66	-49.60
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)OC(C2CC2)=N1	REAL300019789218	0	40	-1.0	-39.73	325.80	-0.54	-40.27
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)OC(C2CC2)=N1	REAL300019789218	1	40	-1.0	-39.73	325.86	-0.53	-40.26
O=C(CC1=CC=C2COCC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789219	0	42	-1.0	-43.02	338.81	1.61	-41.41
O=C(CC1=CC=C2COCC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789219	1	42	-1.0	-43.05	338.88	1.62	-41.43
CC(CCC(C)(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789220	0	48	-1.0	-40.42	358.05	2.98	-37.44
CC(CCC(C)(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789220	1	48	-1.0	-40.40	358.11	2.99	-37.41
O=C(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300019789221	0	36	-1.0	-37.44	311.22	1.37	-36.07
O=C(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300019789221	1	36	-1.0	-37.47	311.28	1.37	-36.10
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019789222	0	45	-1.0	-49.42	379.45	-1.51	-50.93
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019789222	1	45	-1.0	-49.41	379.52	-1.51	-50.92
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789223	0	41	-1.0	-40.98	360.72	4.13	-36.85
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789223	1	41	-1.0	-41.03	360.79	4.13	-36.90
CC1=NC(C)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=C1C	REAL300019789224	0	41	-1.0	-42.03	331.09	-0.68	-42.71
CC1=NC(C)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=C1C	REAL300019789224	1	41	-1.0	-42.06	331.15	-0.67	-42.73
CC1=CC(Br)=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019789225	0	37	-1.0	-39.53	319.57	2.53	-37.00
CC1=CC(Br)=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019789225	1	37	-1.0	-39.48	319.64	2.53	-36.95
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019789226	0	42	-1.0	-39.31	350.63	3.38	-35.93
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019789226	1	42	-1.0	-39.35	350.69	3.38	-35.97
CN1N=NC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C21	REAL300019789227	0	39	-1.0	-44.20	321.24	-0.13	-44.33
CN1N=NC2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C21	REAL300019789227	1	39	-1.0	-44.21	321.18	-0.13	-44.34
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789228	0	45	-1.0	-39.90	376.13	3.92	-35.98
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789228	1	45	-1.0	-39.88	376.19	3.93	-35.95
COC1=CC=C(C2(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)CCC2)C=C1OC	REAL300019789229	0	52	-1.0	-46.88	396.35	2.67	-44.21
COC1=CC=C(C2(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)CCC2)C=C1OC	REAL300019789229	1	52	-1.0	-46.87	396.41	2.68	-44.19
CC1(C)CC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCO1	REAL300019789230	0	47	-1.0	-40.40	348.44	1.36	-39.04
CC1(C)CC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCO1	REAL300019789230	1	47	-1.0	-40.45	348.51	1.36	-39.09
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789231	0	42	-1.0	-43.74	355.40	2.67	-41.07
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789231	1	42	-1.0	-43.73	355.47	2.68	-41.05
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789232	0	47	-1.0	-42.39	398.97	5.25	-37.14
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789232	1	47	-1.0	-42.41	399.03	5.26	-37.15
CC1CCN(C(=O)C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019789233	0	44	-1.0	-38.19	343.24	0.48	-37.71
CC1CCN(C(=O)C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019789233	1	44	-1.0	-38.17	343.31	0.49	-37.68
CC1CCCN(C(=O)C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019789234	0	44	-1.0	-37.74	334.57	0.37	-37.37
CC1CCCN(C(=O)C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019789234	1	44	-1.0	-37.72	334.64	0.37	-37.35
O=C(C1=COC(C2CCOCC2)=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789235	0	44	-1.0	-41.08	351.06	-1.24	-42.32
O=C(C1=COC(C2CCOCC2)=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789235	1	44	-1.0	-41.12	351.13	-1.24	-42.36
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019789236	0	45	-2.0	-100.24	381.17	-2.48	-102.72
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019789236	1	45	-2.0	-100.23	381.23	-2.48	-102.71
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019789236	1	46	-1.0	-46.66	384.55	-2.87	-49.53
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019789236	1	46	-1.0	-46.74	384.61	-2.87	-49.61
CNC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CC=C1[N+](=O)[O-]	REAL300019789237	0	41	-1.0	-44.69	337.27	1.21	-43.48
CNC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CC=C1[N+](=O)[O-]	REAL300019789237	1	41	-1.0	-44.70	337.33	1.21	-43.49
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789238	0	47	-1.0	-40.14	369.84	1.07	-39.07
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789238	1	47	-1.0	-40.12	369.78	1.06	-39.06
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019789239	0	51	-1.0	-41.63	395.76	0.21	-41.42
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019789239	1	51	-1.0	-41.60	395.82	0.22	-41.38
NC(=O)C1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL300019789240	0	37	-1.0	-42.54	307.61	-2.77	-45.31
NC(=O)C1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL300019789240	1	37	-1.0	-42.54	307.54	-2.77	-45.31
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789241	0	45	-1.0	-46.33	383.72	5.45	-40.88
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789241	1	45	-1.0	-46.37	383.79	5.45	-40.92
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789242	0	57	-1.0	-40.45	407.29	3.10	-37.35
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789242	1	57	-1.0	-40.51	407.36	3.10	-37.41
O=C(C1=C(C2CCCC2)N=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789243	0	43	-1.0	-41.35	346.51	1.76	-39.59
O=C(C1=C(C2CCCC2)N=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789243	1	43	-1.0	-41.36	346.57	1.77	-39.59
COC1=CC=C(C(=O)CCCCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019789244	0	52	-1.0	-45.47	416.73	3.83	-41.64
COC1=CC=C(C(=O)CCCCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019789244	1	52	-1.0	-45.47	416.79	3.84	-41.63
CC1=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(C2=CC=CC=C2)O1	REAL300019789245	0	43	-1.0	-45.49	360.29	0.68	-44.81
CC1=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(C2=CC=CC=C2)O1	REAL300019789245	1	43	-1.0	-45.49	360.36	0.69	-44.80
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019789246	0	49	-1.0	-50.55	402.69	1.35	-49.20
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019789246	1	49	-1.0	-50.56	402.75	1.35	-49.21
CC1=CC(Cl)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1C	REAL300019789247	0	40	-1.0	-43.18	333.58	3.05	-40.13
CC1=CC(Cl)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1C	REAL300019789247	1	40	-1.0	-43.18	333.65	3.05	-40.13
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789248	0	39	-1.0	-39.24	318.49	2.10	-37.14
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789248	1	39	-1.0	-39.19	318.56	2.10	-37.09
CC(C)C1CC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCO1	REAL300019789249	0	50	-1.0	-40.45	364.90	2.18	-38.27
CC(C)C1CC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCO1	REAL300019789249	1	50	-1.0	-40.44	364.97	2.19	-38.25
CC1=C(C(=O)NCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CO1	REAL300019789250	0	41	-1.0	-42.50	338.83	-1.13	-43.63
CC1=C(C(=O)NCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CO1	REAL300019789250	1	41	-1.0	-42.52	338.90	-1.13	-43.65
CCOC1=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CO1	REAL300019789251	0	37	-1.0	-41.21	309.04	-2.50	-43.71
CCOC1=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CO1	REAL300019789251	1	37	-1.0	-41.25	308.98	-2.51	-43.76
O=C(CSC1=NN=C2C=CC=CN21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789252	0	40	-1.0	-48.59	346.73	3.35	-45.24
O=C(CSC1=NN=C2C=CC=CN21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789252	1	40	-1.0	-48.59	346.67	3.34	-45.25
CC1=CC=C(C2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)S2)O1	REAL300019789253	0	41	-1.0	-41.71	352.10	3.02	-38.69
CC1=CC=C(C2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)S2)O1	REAL300019789253	1	41	-1.0	-41.75	352.17	3.02	-38.73
CCC1=NN=C(C)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789254	0	41	-1.0	-41.55	329.47	0.41	-41.14
CCC1=NN=C(C)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789254	1	41	-1.0	-41.61	329.54	0.41	-41.20
CCC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(C)N=N1	REAL300019789255	0	41	-1.0	-41.49	330.79	0.45	-41.04
CCC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(C)N=N1	REAL300019789255	1	41	-1.0	-41.48	330.85	0.46	-41.02
O=C(C1=CN=C2CCCN12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791202	0	38	-1.0	-45.50	297.72	0.89	-44.61
O=C(C1=CN=C2CCCN12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791202	1	38	-1.0	-45.56	297.78	0.89	-44.67
CC1=NC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(N)=N1	REAL300019791203	0	37	-1.0	-39.71	303.68	-1.78	-41.49
CC1=NC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(N)=N1	REAL300019791203	1	37	-1.0	-39.75	303.75	-1.77	-41.52
CCC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019791204	0	53	-1.0	-43.59	399.37	2.44	-41.15
CCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019791204	1	53	-1.0	-43.59	399.43	2.44	-41.15
O=C(CCC1CC1(Cl)Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791205	0	37	-1.0	-42.22	329.00	2.72	-39.50
O=C(CCC1CC1(Cl)Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791205	1	37	-1.0	-42.26	329.06	2.72	-39.54
O=C(C(CC1COCCO1)C(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791206	0	45	-1.0	-40.57	354.85	-0.15	-40.72
O=C(C(CC1COCCO1)C(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791206	1	45	-1.0	-40.60	354.92	-0.15	-40.75
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791207	0	44	-1.0	-40.84	365.53	2.40	-38.44
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791207	1	44	-1.0	-40.86	365.59	2.40	-38.46
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791208	0	47	-1.0	-42.46	368.24	1.63	-40.83
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791208	1	47	-1.0	-42.43	368.30	1.64	-40.79
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791209	0	54	-1.0	-47.44	412.61	2.42	-45.02
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791209	1	54	-1.0	-47.45	412.68	2.43	-45.02
O=C(CC1=CC=C(Br)C=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791210	0	37	-1.0	-41.71	329.55	2.98	-38.73
O=C(CC1=CC=C(Br)C=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791210	1	37	-1.0	-41.73	329.61	2.98	-38.75
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791211	0	40	-1.0	-50.01	337.23	1.28	-48.73
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791211	1	40	-1.0	-50.02	337.17	1.28	-48.74
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(N2C=NN=N2)CCOCC1	REAL300019791212	0	43	-1.0	-38.63	329.96	-0.58	-39.21
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(N2C=NN=N2)CCOCC1	REAL300019791212	1	43	-1.0	-38.62	329.90	-0.58	-39.20
CC(C)N(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300019791213	0	53	-1.0	-44.10	400.26	2.65	-41.45
CC(C)N(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300019791213	1	53	-1.0	-44.09	400.33	2.65	-41.44
CC(=O)C1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC=C1OC(C)C	REAL300019791214	0	49	-1.0	-44.78	384.12	3.79	-40.99
CC(=O)C1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=C1OC(C)C	REAL300019791214	1	49	-1.0	-44.81	384.19	3.79	-41.02
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791215	0	53	0.0	-65.41	382.29	2.10	-63.31
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791215	1	53	0.0	-70.50	390.19	2.50	-68.00
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791215	1	53	0.0	-65.40	382.22	2.09	-63.31
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791215	1	53	0.0	-70.47	390.13	2.50	-67.97
NC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=NN1CC1=CC=CC=C1	REAL300019791216	0	46	-1.0	-43.12	373.60	1.87	-41.25
NC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=NN1CC1=CC=CC=C1	REAL300019791216	1	46	-1.0	-43.14	373.54	1.86	-41.28
O=C(C1=C2CCCCN2C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791217	0	42	-1.0	-44.69	326.83	2.63	-42.06
O=C(C1=C2CCCCN2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791217	1	42	-1.0	-44.71	326.89	2.63	-42.08
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300019791218	0	47	-1.0	-45.56	380.73	4.42	-41.14
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300019791218	1	47	-1.0	-45.53	380.67	4.41	-41.12
CCNC1=NC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL300019791219	0	38	-1.0	-41.80	321.36	-0.72	-42.52
CCNC1=NC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL300019791219	1	38	-1.0	-41.76	321.29	-0.73	-42.49
O=C(C1=CC=C(C2CC2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791220	0	41	-1.0	-41.20	327.30	3.40	-37.80
O=C(C1=CC=C(C2CC2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791220	1	41	-1.0	-41.18	327.36	3.41	-37.77
COC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCCC1	REAL300019791221	0	44	-1.0	-41.89	327.41	1.31	-40.58
COC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCCC1	REAL300019791221	1	44	-1.0	-41.93	327.47	1.31	-40.62
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791222	0	44	-1.0	-39.82	348.02	4.14	-35.68
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791222	1	44	-1.0	-39.81	348.08	4.15	-35.66
O=C(C1CC2=CC=CC=C2CO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791223	0	42	-1.0	-42.59	331.25	2.62	-39.97
O=C(C1CC2=CC=CC=C2CO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791223	1	42	-1.0	-42.59	331.30	2.62	-39.97
COC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300019791224	0	47	-1.0	-39.89	351.36	2.42	-37.47
COC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300019791224	1	47	-1.0	-39.87	351.42	2.43	-37.44
CC(CC1=CC=CO1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791225	0	40	-1.0	-40.83	320.24	1.56	-39.27
CC(CC1=CC=CO1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791225	1	40	-1.0	-40.83	320.31	1.57	-39.26
CC1CC2=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300019791226	0	42	-1.0	-40.83	335.71	1.93	-38.90
CC1CC2=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300019791226	1	42	-1.0	-40.84	335.77	1.94	-38.90
O=C(C1CC2(C1)CCCCC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791227	0	47	-1.0	-40.15	348.38	3.47	-36.68
O=C(C1CC2(C1)CCCCC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791227	1	47	-1.0	-40.18	348.44	3.47	-36.71
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791228	0	40	-1.0	-41.81	340.35	4.08	-37.73
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791228	1	40	-1.0	-41.82	340.42	4.08	-37.74
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791229	0	40	-1.0	-57.44	350.94	3.09	-54.35
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791229	1	40	-1.0	-57.47	350.88	3.09	-54.38
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(C)N1C1=CN(C)N=C1	REAL300019791230	0	48	-1.0	-45.68	388.97	3.15	-42.53
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(C)N1C1=CN(C)N=C1	REAL300019791230	1	48	-1.0	-45.66	388.91	3.14	-42.52
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL300019791231	0	43	-1.0	-43.82	374.27	2.68	-41.14
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL300019791231	1	43	-1.0	-43.82	374.20	2.68	-41.14
COCC1=CSC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791232	0	38	-1.0	-41.10	322.72	-0.01	-41.11
COCC1=CSC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791232	1	38	-1.0	-41.11	322.79	0.00	-41.11
CC(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCCO1	REAL300019791233	0	44	-1.0	-40.21	334.85	0.98	-39.23
CC(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCCO1	REAL300019791233	1	44	-1.0	-40.23	334.91	0.98	-39.25
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791234	0	47	0.0	-60.63	365.80	2.50	-58.13
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791234	1	47	0.0	-60.68	365.86	2.50	-58.18
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791235	0	48	-1.0	-44.50	389.52	2.06	-42.44
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791235	1	48	-1.0	-44.50	389.45	2.06	-42.44
NC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC(Br)=N1	REAL300019791236	0	35	-1.0	-39.68	309.70	-1.20	-40.88
NC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC(Br)=N1	REAL300019791236	1	35	-1.0	-39.67	309.63	-1.21	-40.88
O=C(C1=NOC2=C1COCC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791237	0	38	-1.0	-41.63	307.30	-0.48	-42.11
O=C(C1=NOC2=C1COCC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791237	1	38	-1.0	-41.62	307.36	-0.47	-42.09
CC1=CN2C=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC2=N1	REAL300019791238	0	40	-1.0	-47.00	330.71	2.63	-44.37
CC1=CN2C=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CC2=N1	REAL300019791238	1	40	-1.0	-46.96	330.77	2.63	-44.33
O=C(C1=CN(C2CC2)N=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791239	0	37	-1.0	-42.84	306.20	-0.26	-43.10
O=C(C1=CN(C2CC2)N=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791239	1	37	-1.0	-42.84	306.13	-0.27	-43.11
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791240	0	42	-1.0	-49.40	342.73	0.09	-49.31
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791240	1	42	-1.0	-49.38	342.80	0.09	-49.29
CNC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1F	REAL300019791241	0	39	-1.0	-42.49	317.16	0.15	-42.34
CNC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1F	REAL300019791241	1	39	-1.0	-42.48	317.23	0.15	-42.33
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019791242	0	57	-1.0	-51.16	430.86	0.99	-50.17
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019791242	1	57	-1.0	-51.15	430.93	0.99	-50.16
O=C(C1CCC2C(C1)C2(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791243	0	41	-1.0	-43.13	320.62	2.46	-40.67
O=C(C1CCC2C(C1)C2(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791243	1	41	-1.0	-43.12	320.68	2.47	-40.65
CC(F)(F)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019791244	0	37	-1.0	-37.05	298.99	1.13	-35.92
CC(F)(F)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019791244	1	37	-1.0	-36.99	299.05	1.13	-35.86
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791245	0	45	-1.0	-45.56	358.40	-1.82	-47.38
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791245	1	45	-1.0	-45.53	358.47	-1.81	-47.34
COC1=CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1OC(F)F	REAL300019791246	0	45	-1.0	-46.90	371.32	1.81	-45.09
COC1=CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1OC(F)F	REAL300019791246	1	45	-1.0	-46.94	371.39	1.81	-45.13
CC1=CC=CC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1Br	REAL300019791247	0	40	-1.0	-43.13	339.25	3.41	-39.72
CC1=CC=CC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1Br	REAL300019791247	1	40	-1.0	-43.13	339.31	3.41	-39.72
O=C(C1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1)N1CCOCC1	REAL300019791248	0	49	-1.0	-43.75	381.93	0.71	-43.04
O=C(C1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1)N1CCOCC1	REAL300019791248	1	49	-1.0	-43.78	381.99	0.71	-43.07
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791249	0	43	-1.0	-52.11	355.79	1.74	-50.37
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791249	1	43	-1.0	-52.08	355.73	1.74	-50.34
CC1=CC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NC=C1Cl	REAL300019791250	0	39	-1.0	-44.39	332.07	1.81	-42.58
CC1=CC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NC=C1Cl	REAL300019791250	1	39	-1.0	-44.44	332.14	1.82	-42.62
NC1=C(Cl)C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300019791251	0	36	-1.0	-39.63	321.74	0.32	-39.31
NC1=C(Cl)C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300019791251	1	36	-1.0	-39.60	321.80	0.32	-39.28
CCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCC(F)(F)CC1	REAL300019791252	0	46	-1.0	-40.18	334.21	2.25	-37.93
CCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC(F)(F)CC1	REAL300019791252	1	46	-1.0	-40.17	334.27	2.26	-37.91
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791253	0	37	-1.0	-38.23	325.10	0.19	-38.04
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791253	1	37	-1.0	-38.16	325.04	0.19	-37.97
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791254	0	46	-1.0	-41.18	345.42	1.68	-39.50
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791254	1	46	-1.0	-41.21	345.48	1.69	-39.52
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C(F)(F)F)CCOCC1	REAL300019791255	0	41	-1.0	-36.62	309.64	-0.45	-37.07
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C(F)(F)F)CCOCC1	REAL300019791255	1	41	-1.0	-36.61	309.70	-0.44	-37.05
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791256	0	37	-1.0	-40.31	332.59	2.80	-37.51
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791256	1	37	-1.0	-40.33	332.65	2.80	-37.53
CSCC[C@H](NC(N)=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791257	0	43	-1.0	-50.15	350.36	-2.13	-52.28
CSCC[C@H](NC(N)=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791257	1	43	-1.0	-50.20	350.42	-2.12	-52.32
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019791258	0	47	-1.0	-38.94	358.94	4.35	-34.59
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019791258	1	47	-1.0	-38.96	359.00	4.36	-34.60
CC1=CCC(C)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019791259	0	44	-1.0	-41.27	323.21	2.23	-39.04
CC1=CCC(C)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019791259	1	44	-1.0	-41.29	323.27	2.24	-39.05
CCN1C(=O)NC2=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC=C21	REAL300019791260	0	44	-1.0	-44.58	357.84	1.10	-43.48
CCN1C(=O)NC2=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CC=C21	REAL300019791260	1	44	-1.0	-44.56	357.90	1.10	-43.46
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791261	0	45	-1.0	-45.80	362.86	1.75	-44.05
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791261	1	45	-1.0	-45.84	362.93	1.76	-44.08
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791262	0	44	-1.0	-39.43	343.65	1.13	-38.30
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791262	1	44	-1.0	-39.46	343.71	1.13	-38.33
CC1(C)CCCC(O)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791263	0	47	-1.0	-37.86	334.67	0.11	-37.75
CC1(C)CCCC(O)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791263	1	47	-1.0	-37.83	334.73	0.11	-37.72
COC(=O)N1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019791264	0	45	-1.0	-46.61	352.11	0.43	-46.18
COC(=O)N1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019791264	1	45	-1.0	-46.63	352.17	0.43	-46.20
O=C(CCC1=CC=CN=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791265	0	39	-1.0	-44.52	331.99	1.65	-42.87
O=C(CCC1=CC=CN=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791265	1	39	-1.0	-44.54	331.92	1.65	-42.89
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791266	0	57	-1.0	-47.19	421.65	3.52	-43.67
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791266	1	57	-1.0	-47.14	421.71	3.52	-43.62
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791267	0	46	-1.0	-45.75	390.69	3.50	-42.25
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791267	1	46	-1.0	-45.73	390.63	3.50	-42.23
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791268	0	57	-1.0	-42.11	440.42	-0.06	-42.17
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791268	1	57	-1.0	-42.11	440.48	-0.05	-42.16
CN1C(=O)CO[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[C@H]1C1=CC=CN=C1	REAL300019791269	0	48	-1.0	-39.72	370.98	-0.64	-40.36
CN1C(=O)CO[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[C@H]1C1=CC=CN=C1	REAL300019791269	1	48	-1.0	-39.72	371.05	-0.64	-40.36
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791270	0	49	-1.0	-41.57	370.98	2.19	-39.38
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791270	1	49	-1.0	-41.59	371.05	2.19	-39.40
CC(C)(C)OC(=O)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1(C)C	REAL300019791271	0	52	-1.0	-42.68	394.40	3.55	-39.13
CC(C)(C)OC(=O)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1(C)C	REAL300019791271	1	52	-1.0	-42.64	394.47	3.56	-39.08
CC(C)(C)OC(=O)C(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCCC1	REAL300019791272	0	55	-1.0	-41.51	411.99	4.45	-37.06
CC(C)(C)OC(=O)C(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCCC1	REAL300019791272	1	55	-1.0	-41.51	412.06	4.46	-37.05
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791273	0	41	-1.0	-50.23	357.54	-1.40	-51.63
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791273	1	41	-1.0	-50.27	357.60	-1.40	-51.67
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791274	0	44	-1.0	-46.40	367.55	3.12	-43.28
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791274	1	44	-1.0	-46.44	367.61	3.12	-43.32
O=C(C1=CC(Br)=CNC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791275	0	34	-1.0	-49.13	307.66	-1.01	-50.14
O=C(C1=CC(Br)=CNC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791275	1	34	-1.0	-49.15	307.72	-1.01	-50.16
COCC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCCC1	REAL300019791276	0	47	-1.0	-42.50	338.56	0.82	-41.68
COCC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCCC1	REAL300019791276	1	47	-1.0	-42.49	338.61	0.82	-41.67
O=C(C1=CN=C2CCCCCN12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791277	0	44	-1.0	-42.34	331.99	1.61	-40.73
O=C(C1=CN=C2CCCCCN12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791277	1	44	-1.0	-42.30	332.05	1.62	-40.68
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791278	0	43	-1.0	-42.33	352.67	4.19	-38.14
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791278	1	43	-1.0	-42.38	352.73	4.20	-38.18
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791279	0	40	-1.0	-48.63	340.16	-2.16	-50.79
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791279	1	40	-1.0	-48.64	340.22	-2.15	-50.79
O=C(C1=CC2=CSC=C2S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791280	0	34	-1.0	-41.49	305.20	1.63	-39.86
O=C(C1=CC2=CSC=C2S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791280	1	34	-1.0	-41.44	305.26	1.63	-39.81
CC1=CC=CC=C1CC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791281	0	46	-1.0	-39.53	353.69	3.85	-35.68
CC1=CC=CC=C1CC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791281	1	46	-1.0	-39.53	353.76	3.85	-35.68
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)OC(C(F)F)=C1	REAL300019791282	0	37	-1.0	-39.78	312.04	1.31	-38.47
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)OC(C(F)F)=C1	REAL300019791282	1	37	-1.0	-39.75	312.11	1.32	-38.43
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791283	0	42	-1.0	-43.12	345.09	4.55	-38.57
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791283	1	42	-1.0	-43.13	345.16	4.55	-38.58
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791284	0	41	-1.0	-44.06	359.61	4.50	-39.56
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791284	1	41	-1.0	-44.10	359.68	4.51	-39.59
CC1=CC=C2OC=C(CC(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C2=C1	REAL300019791285	0	43	-1.0	-46.03	352.16	3.34	-42.69
CC1=CC=C2OC=C(CC(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C2=C1	REAL300019791285	1	43	-1.0	-46.07	352.22	3.35	-42.72
COC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300019791286	0	41	-1.0	-42.45	335.31	2.20	-40.25
COC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300019791286	1	41	-1.0	-42.47	335.38	2.21	-40.26
CCCC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=CC(Cl)=C1	REAL300019791287	0	46	-1.0	-42.69	375.56	4.55	-38.14
CCCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=C1	REAL300019791287	1	46	-1.0	-42.68	375.62	4.55	-38.13
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(C)N1C1=NN(C)C=C1	REAL300019791288	0	48	-1.0	-47.52	386.91	3.90	-43.62
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(C)N1C1=NN(C)C=C1	REAL300019791288	1	48	-1.0	-47.55	386.84	3.90	-43.65
CC(C)C1=NC=CN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791289	0	43	-1.0	-45.69	345.43	2.15	-43.54
CC(C)C1=NC=CN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791289	1	43	-1.0	-45.70	345.49	2.16	-43.54
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791289	1	44	0.0	-55.35	344.15	2.75	-52.60
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791289	1	44	0.0	-55.37	344.21	2.75	-52.62
O=C(C1CN(C2CCOC2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791290	0	44	-1.0	-40.54	340.58	-2.78	-43.32
O=C(C1C[NH+](C2CCOC2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791290	1	45	0.0	-66.43	344.79	0.35	-66.08
O=C(C1CN(C2CCOC2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791290	1	44	-1.0	-40.53	340.65	-2.77	-43.30
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791291	0	44	-1.0	-45.69	358.77	4.70	-40.99
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791291	1	44	-1.0	-45.70	358.84	4.71	-40.99
COC1=CC=C([C@]2(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C[C@H](O)C2)C=C1	REAL300019791292	0	49	-1.0	-41.32	375.55	-0.34	-41.66
COC1=CC=C([C@]2(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C[C@H](O)C2)C=C1	REAL300019791292	1	49	-1.0	-41.30	375.62	-0.33	-41.63
O=C(CN1CSCCSC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791293	0	41	-1.0	-40.55	330.63	-0.15	-40.70
O=C(CN1CSCCSC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791293	1	41	-1.0	-40.53	330.69	-0.15	-40.68
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CCC[NH+](CCC1)C2	REAL300019791294	0	47	0.0	-69.12	324.78	1.62	-67.50
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CCC[NH+](CCC1)C2	REAL300019791294	1	47	0.0	-69.11	324.84	1.63	-67.48
O=C(CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=C(F)C=CC=C1F	REAL300019791295	0	42	-1.0	-45.31	351.70	3.00	-42.31
O=C(CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=C(F)C=CC=C1F	REAL300019791295	1	42	-1.0	-45.30	351.76	3.00	-42.30
O=C(C1=CN=C2COCCN12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791296	0	39	-1.0	-42.65	309.25	-1.08	-43.73
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O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791341	1	42	-1.0	-43.90	351.71	2.45	-41.45
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791342	0	38	-1.0	-38.59	338.80	1.61	-36.98
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791342	1	38	-1.0	-38.65	338.86	1.62	-37.03
COC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300019791343	0	38	-1.0	-40.60	328.55	1.29	-39.31
COC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300019791343	1	38	-1.0	-40.57	328.61	1.30	-39.27
O=C(C1C2CC3=CC=CC=C3C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791344	0	42	-1.0	-41.05	328.61	4.05	-37.00
O=C(C1C2CC3=CC=CC=C3C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791344	1	42	-1.0	-41.12	328.68	4.06	-37.06
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC=C1OC(F)(F)F	REAL300019791345	0	41	-1.0	-39.33	344.08	1.85	-37.48
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=C1OC(F)(F)F	REAL300019791345	1	41	-1.0	-39.34	344.14	1.86	-37.48
O=C(C1COC2=CC(F)=CC=C2C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791346	0	42	-1.0	-39.02	338.97	2.12	-36.90
O=C(C1COC2=CC(F)=CC=C2C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791346	1	42	-1.0	-39.08	339.04	2.12	-36.96
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C(S(C)(=O)=O)O1	REAL300019791347	0	40	-1.0	-48.41	343.98	-2.17	-50.58
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C(S(C)(=O)=O)O1	REAL300019791347	1	40	-1.0	-48.43	344.05	-2.17	-50.60
CC1=CC=CC=C1COC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791348	0	47	-1.0	-44.81	368.81	3.85	-40.96
CC1=CC=CC=C1COC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791348	1	47	-1.0	-44.83	368.87	3.86	-40.97
CSC1=CC(C)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791349	0	38	-1.0	-38.44	323.98	1.55	-36.89
CSC1=CC(C)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791349	1	38	-1.0	-38.49	324.04	1.55	-36.94
O=C(C=CC1=CC=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791350	0	35	-1.0	-40.70	301.84	1.90	-38.80
O=C(C=CC1=CC=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791350	1	35	-1.0	-40.67	301.91	1.90	-38.77
COC(=O)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC2(CCC2)C1	REAL300019791351	0	47	-1.0	-39.82	365.22	2.68	-37.14
COC(=O)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC2(CCC2)C1	REAL300019791351	1	47	-1.0	-39.85	365.28	2.69	-37.16
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791352	0	43	-1.0	-40.02	336.12	2.52	-37.50
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791352	1	43	-1.0	-40.03	336.19	2.53	-37.50
CC(C)C1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791353	0	43	-1.0	-42.01	338.22	3.20	-38.81
CC(C)C1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791353	1	43	-1.0	-42.02	338.28	3.20	-38.82
O=C(C1=CSC(C(F)(F)F)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791354	0	34	-1.0	-39.29	308.05	1.41	-37.88
O=C(C1=CSC(C(F)(F)F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791354	1	34	-1.0	-39.31	308.11	1.41	-37.90
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791355	0	47	-1.0	-40.48	363.21	4.62	-35.86
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791355	1	47	-1.0	-40.45	363.27	4.62	-35.83
COCCCN1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791356	0	44	-1.0	-46.04	358.18	-0.22	-46.26
COCCCN1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791356	1	44	-1.0	-46.02	358.11	-0.22	-46.24
O=C(C1=CN(C2CC2)N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791357	0	38	-1.0	-42.21	309.89	0.54	-41.67
O=C(C1=CN(C2CC2)N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791357	1	38	-1.0	-42.20	309.83	0.54	-41.66
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NN1C1CCOCC1	REAL300019791358	0	48	-1.0	-45.76	374.87	1.21	-44.55
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NN1C1CCOCC1	REAL300019791358	1	48	-1.0	-45.76	374.93	1.22	-44.54
CN1C=C(N2CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)CC2=O)C=N1	REAL300019791359	0	45	-1.0	-46.20	360.29	0.25	-45.95
CN1C=C(N2CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)CC2=O)C=N1	REAL300019791359	1	45	-1.0	-46.18	360.22	0.24	-45.94
CC(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=NC=C1	REAL300019791360	0	42	-1.0	-41.05	332.97	1.82	-39.23
CC(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=NC=C1	REAL300019791360	1	42	-1.0	-41.04	333.03	1.83	-39.21
O=C(C1=C2C=CSC2=CN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791361	0	36	-1.0	-41.59	310.72	0.83	-40.76
O=C(C1=C2C=CSC2=CN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791361	1	36	-1.0	-41.57	310.65	0.82	-40.75
CCOC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCOCC1	REAL300019791362	0	45	-1.0	-38.70	332.42	-0.93	-39.63
CCOC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCOCC1	REAL300019791362	1	45	-1.0	-38.72	332.49	-0.93	-39.65
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791363	0	41	-1.0	-42.26	358.65	3.64	-38.62
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791363	1	41	-1.0	-42.27	358.71	3.64	-38.63
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791364	0	43	-1.0	-53.54	354.58	1.68	-51.86
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791364	1	43	-1.0	-53.53	354.52	1.68	-51.85
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791365	0	40	-1.0	-39.29	354.48	3.72	-35.57
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791365	1	40	-1.0	-39.30	354.55	3.73	-35.57
O=C(C1=C(Br)N=C2COCCN21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791366	0	39	-1.0	-44.37	339.03	-0.35	-44.72
O=C(C1=C(Br)N=C2COCCN21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791366	1	39	-1.0	-44.43	339.10	-0.35	-44.78
CC1=CC=CC=C1COCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791367	0	44	-1.0	-45.60	353.49	3.41	-42.19
CC1=CC=CC=C1COCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791367	1	44	-1.0	-45.61	353.55	3.42	-42.19
CC1=CC=CC(COCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791368	0	44	-1.0	-45.25	358.72	3.39	-41.86
CC1=CC=CC(COCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791368	1	44	-1.0	-45.27	358.79	3.40	-41.87
O=C(C1=C2SC=CC2=CC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791369	0	36	-1.0	-44.73	307.09	1.74	-42.99
O=C(C1=C2SC=CC2=CC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791369	1	36	-1.0	-44.73	307.03	1.74	-42.99
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791370	0	45	-1.0	-43.51	366.24	2.53	-40.98
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791370	1	45	-1.0	-43.52	366.30	2.53	-40.99
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791371	0	43	-1.0	-53.19	333.34	0.61	-52.58
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791371	1	43	-1.0	-53.25	333.39	0.62	-52.63
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791372	0	40	-2.0	-86.92	345.78	-2.73	-89.65
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791372	1	40	-2.0	-86.92	345.72	-2.74	-89.66
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791372	1	41	-1.0	-47.80	345.86	-2.59	-50.39
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791372	1	41	-1.0	-47.82	345.79	-2.59	-50.41
O=C(CN1C=CC(C(F)F)=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791373	0	37	-1.0	-50.29	317.67	0.55	-49.74
O=C(CN1C=CC(C(F)F)=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791373	1	37	-1.0	-50.33	317.74	0.55	-49.78
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791374	0	40	-1.0	-45.34	332.97	0.62	-44.72
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791374	1	40	-1.0	-45.36	333.03	0.62	-44.74
CC1=CN2C=CN=C2C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791375	0	40	-1.0	-52.86	330.75	2.75	-50.11
CC1=CN2C=CN=C2C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791375	1	40	-1.0	-52.89	330.82	2.75	-50.14
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791376	0	37	-1.0	-40.05	331.79	1.41	-38.64
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791376	1	37	-1.0	-40.04	331.73	1.40	-38.64
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791377	0	45	-1.0	-41.54	356.06	0.58	-40.96
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791377	1	45	-1.0	-41.60	355.99	0.57	-41.03
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791378	0	51	-1.0	-49.33	394.37	0.30	-49.03
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791378	1	51	-1.0	-49.36	394.43	0.30	-49.06
O=C(C1CCCC2(CC2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791379	0	44	-1.0	-39.97	335.75	3.05	-36.92
O=C(C1CCCC2(CC2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791379	1	44	-1.0	-40.02	335.82	3.05	-36.97
CCCN1N=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791380	0	40	-1.0	-40.73	319.69	0.71	-40.02
CCCN1N=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791380	1	40	-1.0	-40.65	319.62	0.70	-39.95
CC1=CC=C(COCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019791381	0	44	-1.0	-45.19	358.69	3.41	-41.78
CC1=CC=C(COCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019791381	1	44	-1.0	-45.20	358.76	3.41	-41.79
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791382	0	37	-1.0	-41.17	324.55	0.59	-40.58
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791382	1	37	-1.0	-41.17	324.62	0.60	-40.57
O=C(C1=CC(C(F)F)=CC=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791383	0	37	-1.0	-46.42	319.01	2.31	-44.11
O=C(C1=CC(C(F)F)=CC=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791383	1	37	-1.0	-46.45	319.07	2.31	-44.14
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791384	0	48	-1.0	-49.49	372.44	2.29	-47.20
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791384	1	48	-1.0	-49.51	372.50	2.29	-47.22
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791385	0	41	-1.0	-44.96	344.95	2.42	-42.54
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791385	1	41	-1.0	-44.96	344.89	2.41	-42.55
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791386	0	36	-1.0	-42.88	324.38	1.30	-41.58
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791386	1	36	-1.0	-42.89	324.32	1.30	-41.59
COC1=CC(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC(OC)=C1O	REAL300019791387	0	49	-1.0	-44.66	393.69	0.14	-44.52
COC1=CC(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC(OC)=C1O	REAL300019791387	1	49	-1.0	-44.65	393.76	0.14	-44.51
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791388	0	44	-1.0	-42.39	360.53	1.56	-40.83
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791388	1	44	-1.0	-42.41	360.59	1.56	-40.85
COC1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1C	REAL300019791389	0	41	-1.0	-43.30	326.34	1.31	-41.99
COC1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1C	REAL300019791389	1	41	-1.0	-43.28	326.40	1.32	-41.96
CCC1=CNC(=O)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791390	0	40	-1.0	-56.06	329.53	-0.22	-56.28
CCC1=CNC(=O)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791390	1	40	-1.0	-56.02	329.59	-0.21	-56.23
O=C(C(O)CC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791391	0	41	-1.0	-41.49	329.75	0.76	-40.73
O=C(C(O)CC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791391	1	41	-1.0	-41.48	329.81	0.76	-40.72
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791392	0	59	0.0	-70.66	441.40	6.33	-64.33
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791392	1	59	0.0	-66.75	443.95	6.49	-60.26
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791392	1	59	0.0	-70.73	441.46	6.34	-64.39
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791392	1	59	0.0	-66.78	444.02	6.49	-60.29
CN1N=CC(Cl)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791393	0	34	-1.0	-40.83	301.27	-0.33	-41.16
CN1N=CC(Cl)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791393	1	34	-1.0	-40.82	301.21	-0.33	-41.15
CC1=CC(F)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300019791394	0	37	-1.0	-44.23	316.37	2.24	-41.99
CC1=CC(F)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300019791394	1	37	-1.0	-44.23	316.44	2.24	-41.99
CC1=CC(C)=CC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791395	0	43	-1.0	-42.47	345.63	3.64	-38.83
CC1=CC(C)=CC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791395	1	43	-1.0	-42.49	345.70	3.65	-38.84
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791396	0	44	-1.0	-40.74	370.31	1.55	-39.19
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791396	1	44	-1.0	-40.74	370.24	1.54	-39.20
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791397	0	46	-1.0	-42.35	355.93	1.80	-40.55
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791397	1	46	-1.0	-42.38	355.99	1.80	-40.58
COC1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1OC(C)C	REAL300019791398	0	48	-1.0	-45.83	377.76	2.61	-43.22
COC1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1OC(C)C	REAL300019791398	1	48	-1.0	-45.81	377.83	2.61	-43.20
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791399	0	37	-1.0	-44.54	327.97	1.58	-42.96
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791399	1	37	-1.0	-44.55	327.91	1.58	-42.97
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791400	0	44	-1.0	-45.56	370.52	1.62	-43.94
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791400	1	44	-1.0	-45.59	370.46	1.61	-43.98
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791401	0	45	-1.0	-44.46	362.81	1.75	-42.71
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791401	1	45	-1.0	-44.46	362.88	1.75	-42.71
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791402	0	45	-1.0	-45.33	363.45	1.76	-43.57
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791402	1	45	-1.0	-45.30	363.52	1.76	-43.54
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791403	0	38	-1.0	-43.93	317.14	-0.94	-44.87
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791403	1	38	-1.0	-43.94	317.20	-0.94	-44.88
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791404	0	40	-1.0	-47.35	349.97	3.00	-44.35
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791404	1	40	-1.0	-47.35	349.90	2.99	-44.36
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)[C@@H]2C1	REAL300019791405	0	55	-1.0	-46.16	417.33	2.86	-43.30
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)[C@@H]2C1	REAL300019791405	1	55	-1.0	-46.16	417.39	2.86	-43.30
COC(=O)C=CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791406	0	41	-1.0	-41.71	350.08	1.85	-39.86
COC(=O)C=CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791406	1	41	-1.0	-41.74	350.15	1.86	-39.88
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019791407	0	50	-1.0	-41.03	387.74	5.14	-35.89
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019791407	1	50	-1.0	-41.03	387.80	5.14	-35.89
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791408	0	34	-1.0	-43.69	310.28	2.00	-41.69
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791408	1	34	-1.0	-43.70	310.34	2.01	-41.69
CCN1N=CC(Cl)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791409	0	37	-1.0	-37.89	323.05	0.55	-37.34
CCN1N=CC(Cl)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791409	1	37	-1.0	-37.85	322.99	0.54	-37.31
COC(=O)C1=C(C)C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791410	0	40	-1.0	-39.16	334.40	1.06	-38.10
COC(=O)C1=C(C)C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791410	1	40	-1.0	-39.19	334.46	1.06	-38.13
COC(=O)C1=CN(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=C1	REAL300019791411	0	40	-1.0	-50.05	339.85	0.40	-49.65
COC(=O)C1=CN(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=C1	REAL300019791411	1	40	-1.0	-50.05	339.79	0.40	-49.65
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791412	0	59	-1.0	-38.58	440.23	1.66	-36.92
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791412	1	59	-1.0	-38.60	440.30	1.66	-36.94
C[C@@H](CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300019791413	0	50	-1.0	-46.97	388.70	0.38	-46.59
C[C@@H](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300019791413	1	50	-1.0	-46.94	388.76	0.39	-46.55
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791414	0	52	-1.0	-42.22	400.09	0.75	-41.47
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791414	1	52	-1.0	-42.24	400.15	0.76	-41.48
CN1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(C2=CC=CO2)=N1	REAL300019791415	0	41	-1.0	-50.51	341.08	1.74	-48.77
CN1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(C2=CC=CO2)=N1	REAL300019791415	1	41	-1.0	-50.50	341.02	1.74	-48.76
NC(=O)C1=CC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791416	0	39	-1.0	-43.40	334.18	-2.11	-45.51
NC(=O)C1=CC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791416	1	39	-1.0	-43.35	334.24	-2.10	-45.45
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)OC(S(N)(=O)=O)=C1	REAL300019791417	0	39	-1.0	-45.90	334.34	-4.66	-50.56
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)OC(S(N)(=O)=O)=C1	REAL300019791417	1	39	-1.0	-45.93	334.41	-4.65	-50.58
CSC1=CC=C(O)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791418	0	39	-1.0	-42.90	329.34	-0.27	-43.17
CSC1=CC=C(O)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791418	1	39	-1.0	-42.87	329.41	-0.27	-43.14
CCCCC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)C	REAL300019791419	0	48	-1.0	-39.54	347.02	3.07	-36.47
CCCCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)C	REAL300019791419	1	48	-1.0	-39.59	347.08	3.08	-36.51
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791420	0	52	-1.0	-43.08	396.96	2.48	-40.60
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791420	1	52	-1.0	-43.07	397.03	2.49	-40.58
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791421	0	44	-1.0	-51.27	363.02	2.55	-48.72
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791421	1	44	-1.0	-51.26	362.96	2.55	-48.71
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019791422	0	53	-1.0	-38.13	361.16	5.10	-33.03
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019791422	1	53	-1.0	-38.18	361.23	5.11	-33.07
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791423	0	38	-1.0	-41.76	323.85	-0.15	-41.91
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791423	1	38	-1.0	-41.75	323.91	-0.14	-41.89
CC1=CC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(C)N1C1=CC=CC=C1	REAL300019791424	0	51	-1.0	-45.47	408.77	6.29	-39.18
CC1=CC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(C)N1C1=CC=CC=C1	REAL300019791424	1	51	-1.0	-45.48	408.83	6.29	-39.19
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=C21	REAL300019791425	0	42	-1.0	-39.63	354.28	0.76	-38.87
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=C21	REAL300019791425	1	42	-1.0	-39.65	354.21	0.75	-38.90
O=C(C1CCC2(CC2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791426	0	44	-1.0	-40.14	335.06	3.03	-37.11
O=C(C1CCC2(CC2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791426	1	44	-1.0	-40.13	335.13	3.04	-37.09
O=C(C1CCC2=CC(F)=CC=C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791427	0	41	-1.0	-41.87	331.87	3.34	-38.53
O=C(C1CCC2=CC(F)=CC=C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791427	1	41	-1.0	-41.86	331.93	3.35	-38.51
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1C	REAL300019791428	0	47	-1.0	-42.14	368.40	4.84	-37.30
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1C	REAL300019791428	1	47	-1.0	-42.16	368.46	4.85	-37.31
CCOCCN1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791429	0	44	-1.0	-42.76	358.53	-0.03	-42.79
CCOCCN1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791429	1	44	-1.0	-42.76	358.47	-0.04	-42.80
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791430	0	45	-1.0	-41.91	366.76	3.04	-38.87
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791430	1	45	-1.0	-41.92	366.82	3.04	-38.88
O=C(C1=C(C(F)(F)F)SC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791431	0	34	-1.0	-45.14	306.57	1.39	-43.75
O=C(C1=C(C(F)(F)F)SC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791431	1	34	-1.0	-45.17	306.63	1.39	-43.78
CC1=NN(C2CCOCC2)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791432	0	48	-1.0	-40.88	372.60	0.72	-40.16
CC1=NN(C2CCOCC2)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791432	1	48	-1.0	-40.84	372.66	0.72	-40.12
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791433	0	53	-1.0	-37.88	396.42	-1.12	-39.00
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791433	1	53	-1.0	-37.92	396.49	-1.12	-39.04
CN1N=C(Cl)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1Cl	REAL300019791434	0	34	-1.0	-39.74	318.69	0.07	-39.67
CN1N=C(Cl)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1Cl	REAL300019791434	1	34	-1.0	-39.76	318.62	0.07	-39.69
O=C(C1CCCC1CC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791435	0	50	-1.0	-42.58	380.00	5.20	-37.38
O=C(C1CCCC1CC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791435	1	50	-1.0	-42.58	380.06	5.20	-37.38
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791436	0	47	-1.0	-42.08	379.43	3.71	-38.37
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791436	1	47	-1.0	-42.09	379.37	3.70	-38.39
CN1C=C(Cl)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL300019791437	0	34	-1.0	-45.24	296.10	0.22	-45.02
CN1C=C(Cl)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL300019791437	1	34	-1.0	-45.18	296.04	0.22	-44.96
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2CCCC2)CCNC1=O	REAL300019791438	0	48	-1.0	-43.82	347.51	-0.09	-43.91
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2CCCC2)CCNC1=O	REAL300019791438	1	48	-1.0	-43.83	347.57	-0.09	-43.92
CCOC1=CC=CC(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791439	0	45	-1.0	-42.20	362.98	3.04	-39.16
CCOC1=CC=CC(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791439	1	45	-1.0	-42.18	363.05	3.04	-39.14
COC1=CC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019791440	0	42	-1.0	-41.80	341.09	2.13	-39.67
COC1=CC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019791440	1	42	-1.0	-41.80	341.15	2.14	-39.66
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791441	0	37	-1.0	-42.42	325.44	2.87	-39.55
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791441	1	37	-1.0	-42.42	325.50	2.88	-39.54
O=C(C1=C(Cl)SC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791442	0	31	-1.0	-42.83	284.23	0.85	-41.98
O=C(C1=C(Cl)SC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791442	1	31	-1.0	-42.83	284.30	0.85	-41.98
CC1(C)CC1(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300019791443	0	47	-1.0	-41.13	363.53	4.34	-36.79
CC1(C)CC1(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019791443	1	47	-1.0	-41.16	363.59	4.35	-36.81
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791444	0	41	-1.0	-41.76	355.29	2.52	-39.24
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791444	1	41	-1.0	-41.78	355.36	2.52	-39.26
CC(=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL300019791445	0	38	-1.0	-39.22	320.23	2.66	-36.56
CC(=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300019791445	1	38	-1.0	-39.20	320.30	2.67	-36.53
O=C(C1=CSC=C1C(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791446	0	34	-1.0	-45.82	304.74	1.36	-44.46
O=C(C1=CSC=C1C(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791446	1	34	-1.0	-45.86	304.80	1.36	-44.50
CCCC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019791447	0	46	-1.0	-40.26	374.80	4.65	-35.61
CCCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300019791447	1	46	-1.0	-40.28	374.86	4.66	-35.62
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791448	0	51	-1.0	-44.55	401.13	1.36	-43.19
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791448	1	51	-1.0	-44.57	401.20	1.36	-43.21
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791449	0	44	-1.0	-43.89	352.98	0.17	-43.72
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791449	1	44	-1.0	-43.93	352.92	0.17	-43.76
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791450	0	40	-1.0	-49.82	334.80	-2.15	-51.97
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791450	1	40	-1.0	-49.88	334.86	-2.15	-52.03
CC(C)(C)OC(=O)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCCCC1	REAL300019791451	0	58	-1.0	-41.34	392.42	4.09	-37.25
CC(C)(C)OC(=O)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCCCC1	REAL300019791451	1	58	-1.0	-41.39	392.48	4.09	-37.30
CN1C=C(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=N1	REAL300019791452	0	39	-1.0	-47.38	321.02	-0.40	-47.78
CN1C=C(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=N1	REAL300019791452	1	39	-1.0	-47.42	321.08	-0.40	-47.82
CCOCCOCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791453	0	47	-1.0	-45.71	375.33	0.36	-45.35
CCOCCOCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791453	1	47	-1.0	-45.70	375.40	0.37	-45.33
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791454	0	42	-1.0	-46.46	357.29	0.64	-45.82
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791454	1	42	-1.0	-46.47	357.35	0.65	-45.82
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019791455	0	43	-1.0	-42.69	364.28	1.88	-40.81
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019791455	1	43	-1.0	-42.72	364.34	1.88	-40.84
COC1=CC=CC(C(OC)C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791456	0	45	-1.0	-42.81	358.40	1.43	-41.38
COC1=CC=CC(C(OC)C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791456	1	45	-1.0	-42.82	358.46	1.44	-41.38
COCCOCCOCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791457	0	51	-1.0	-47.28	408.96	-0.27	-47.55
COCCOCCOCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791457	1	51	-1.0	-47.27	409.02	-0.27	-47.54
COC1=CC2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C2C=C1OC	REAL300019791458	0	48	-1.0	-45.33	381.33	2.75	-42.58
COC1=CC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C2C=C1OC	REAL300019791458	1	48	-1.0	-45.33	381.40	2.76	-42.57
CSC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(C)O1	REAL300019791459	0	38	-1.0	-40.04	324.69	1.40	-38.64
CSC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(C)O1	REAL300019791459	1	38	-1.0	-40.05	324.76	1.40	-38.65
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791460	0	46	-1.0	-54.50	353.57	0.50	-54.00
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791460	1	46	-1.0	-54.50	353.50	0.49	-54.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL300019791461	0	47	-2.0	-102.93	389.16	2.30	-100.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL300019791461	1	47	-2.0	-102.94	389.23	2.30	-100.64
CC(=O)NC1=CNC(=O)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791462	0	41	-1.0	-60.78	345.23	-2.72	-63.50
CC(=O)NC1=CNC(=O)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791462	1	41	-1.0	-60.76	345.29	-2.72	-63.48
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(N2C=CC=C2)S1	REAL300019791463	0	42	-1.0	-44.69	349.93	3.96	-40.73
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(N2C=CC=C2)S1	REAL300019791463	1	42	-1.0	-44.72	350.00	3.96	-40.76
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791464	0	40	-2.0	-96.58	334.20	1.08	-95.50
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791464	1	40	-2.0	-96.58	334.13	1.08	-95.50
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791464	1	40	-2.0	-98.10	334.18	1.04	-97.06
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791464	1	40	-2.0	-98.10	334.12	1.04	-97.06
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791465	0	37	-2.0	-77.51	318.53	-1.25	-78.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791465	1	37	-2.0	-77.54	318.46	-1.25	-78.79
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791465	1	37	-2.0	-77.46	318.59	-1.24	-78.70
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791465	1	37	-2.0	-77.45	318.53	-1.25	-78.70
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791466	0	46	-1.0	-52.07	388.28	1.38	-50.69
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791466	1	46	-1.0	-52.13	388.21	1.37	-50.76
O=C(C1=C(C(F)(F)F)C=NN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791467	0	34	-1.0	-38.20	299.77	-1.21	-39.41
O=C(C1=C(C(F)(F)F)C=NN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791467	1	34	-1.0	-38.19	299.84	-1.21	-39.40
O=C(CC1=CC(C2CC2)=NO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791468	0	40	-1.0	-45.37	329.93	1.99	-43.38
O=C(CC1=CC(C2CC2)=NO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791468	1	40	-1.0	-45.37	329.99	2.00	-43.37
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791469	0	40	-2.0	-86.80	336.84	-3.17	-89.97
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791469	1	40	-2.0	-86.80	336.90	-3.17	-89.97
CN1C=CC(NC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300019791470	0	46	-1.0	-48.36	373.59	2.73	-45.63
CN1C=CC(NC2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300019791470	1	46	-1.0	-48.40	373.52	2.72	-45.68
CC1=NOC(C2(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)CC2)=C1	REAL300019791471	0	40	-1.0	-38.78	329.07	1.59	-37.19
CC1=NOC(C2(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)CC2)=C1	REAL300019791471	1	40	-1.0	-38.77	329.14	1.59	-37.18
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791472	0	48	-1.0	-40.64	374.53	1.40	-39.24
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791472	1	48	-1.0	-40.65	374.59	1.41	-39.24
O=C(C1CCCC2CCC[N@@H+]21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791473	0	47	0.0	-56.40	331.61	2.01	-54.39
O=C(C1CCCC2CCC[N@H+]21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791473	1	47	0.0	-50.52	343.10	2.75	-47.77
CC(C)(C)OC(=O)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(C)(C)C1(C)C	REAL300019791474	0	58	-1.0	-38.86	414.69	4.13	-34.73
CC(C)(C)OC(=O)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(C)(C)C1(C)C	REAL300019791474	1	58	-1.0	-38.84	414.76	4.13	-34.71
CC1CN(C)CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791475	0	43	-1.0	-41.35	323.98	-1.39	-42.74
CC1CN(C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791475	1	43	-1.0	-41.36	324.05	-1.39	-42.75
CC1C[N@H+](C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791475	1	44	0.0	-68.44	326.66	1.00	-67.44
CC1C[N@@H+](C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791475	1	44	0.0	-69.44	325.24	0.57	-68.87
CN1C=NC2=CN=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=C21	REAL300019791476	0	39	-1.0	-42.10	317.05	0.68	-41.42
CN1C=NC2=CN=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=C21	REAL300019791476	1	39	-1.0	-42.13	317.12	0.69	-41.44
C[N@@H+]1CCCC1CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791477	0	46	0.0	-65.17	345.80	2.55	-62.62
C[N@H+]1CCCC1CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791477	1	46	0.0	-65.03	342.12	2.37	-62.66
C[N@@H+]1CCCC1CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791477	1	46	0.0	-65.20	345.86	2.55	-62.65
C[N@H+]1CCCC1CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791477	1	46	0.0	-65.06	342.18	2.37	-62.69
O=C(C=CCN1C=NC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791478	0	37	-1.0	-48.39	312.11	2.36	-46.03
O=C(C=CCN1C=NC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791478	1	37	-1.0	-48.40	312.05	2.36	-46.04
O=C(C1CCCN1C1=NC=CC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791479	0	44	-1.0	-47.20	348.62	1.65	-45.55
O=C(C1CCCN1C1=NC=CC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791479	1	44	-1.0	-47.25	348.56	1.65	-45.60
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791480	0	38	-1.0	-49.50	311.29	1.23	-48.27
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791480	1	38	-1.0	-49.56	311.35	1.24	-48.32
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791481	0	43	-1.0	-45.65	350.76	2.53	-43.12
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791481	1	43	-1.0	-45.67	350.83	2.53	-43.14
O=C(CCC1=NN=C(C2CC2)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791482	0	42	-1.0	-43.23	347.75	-2.30	-45.53
O=C(CCC1=NN=C(C2CC2)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791482	1	42	-1.0	-43.21	347.81	-2.30	-45.51
CC(C)N1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(C2CCOCC2)=N1	REAL300019791483	0	54	-1.0	-44.06	415.91	1.85	-42.21
CC(C)N1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(C2CCOCC2)=N1	REAL300019791483	1	54	-1.0	-44.04	415.98	1.85	-42.19
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791484	0	52	-1.0	-45.00	408.74	-2.02	-47.02
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791484	1	52	-1.0	-45.01	408.80	-2.02	-47.03
CC(=O)NC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=N1	REAL300019791485	0	40	-1.0	-47.51	328.35	-0.19	-47.70
CC(=O)NC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC=N1	REAL300019791485	1	40	-1.0	-47.56	328.29	-0.19	-47.75
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791486	0	54	-1.0	-41.16	406.41	3.86	-37.30
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791486	1	54	-1.0	-41.11	406.47	3.87	-37.24
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791487	0	43	-1.0	-51.55	356.69	4.38	-47.17
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791487	1	43	-1.0	-51.57	356.63	4.38	-47.19
O=C(C1=NC=C2C(F)=CC=CN21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791488	0	37	-1.0	-43.39	308.91	2.68	-40.71
O=C(C1=NC=C2C(F)=CC=CN21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791488	1	37	-1.0	-43.40	308.84	2.67	-40.73
O=C(C=CC=C(Cl)Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791489	0	32	-1.0	-39.68	298.41	1.54	-38.14
O=C(C=CC=C(Cl)Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791489	1	32	-1.0	-39.72	298.47	1.54	-38.18
CC1=C(CO)C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791490	0	38	-1.0	-44.04	312.85	-2.26	-46.30
CC1=C(CO)C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791490	1	38	-1.0	-44.05	312.92	-2.26	-46.31
CN1CCCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1=O	REAL300019791491	0	44	-1.0	-36.57	316.13	0.60	-35.97
CN1CCCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1=O	REAL300019791491	1	44	-1.0	-36.62	316.18	0.60	-36.02
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791492	0	42	-1.0	-45.64	352.96	1.45	-44.19
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791492	1	42	-1.0	-45.65	353.02	1.46	-44.19
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791493	0	45	-1.0	-55.93	357.55	-2.35	-58.28
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791493	1	45	-1.0	-55.91	357.61	-2.35	-58.26
NC1=C2N=CN(CCC(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C2=NC=N1	REAL300019791494	0	43	-1.0	-44.59	356.39	1.68	-42.91
NC1=C2N=CN(CCC(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C2=NC=N1	REAL300019791494	1	43	-1.0	-44.56	356.33	1.68	-42.88
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791495	0	39	-1.0	-43.11	336.54	-2.25	-45.36
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791495	1	39	-1.0	-43.06	336.60	-2.25	-45.31
O=C(C1=CNN=C1I)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791496	0	31	-1.0	-44.83	285.45	-1.36	-46.19
O=C(C1=CNN=C1I)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791496	1	31	-1.0	-44.89	285.52	-1.36	-46.25
C[N@H+](CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)CC(C)(C)C	REAL300019791497	0	48	0.0	-59.41	346.24	2.41	-57.00
C[N@@H+](CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)CC(C)(C)C	REAL300019791497	1	48	0.0	-59.44	348.19	2.56	-56.88
C[N@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)CC(C)(C)C	REAL300019791497	1	48	0.0	-59.44	346.31	2.41	-57.03
C[N@@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)CC(C)(C)C	REAL300019791497	1	48	0.0	-59.44	348.25	2.57	-56.87
CN1C=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC1=O	REAL300019791498	0	36	-1.0	-49.69	297.80	0.70	-48.99
CN1C=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC1=O	REAL300019791498	1	36	-1.0	-49.65	297.74	0.70	-48.95
O=C(CC=CCC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791499	0	44	-1.0	-42.43	358.39	4.53	-37.90
O=C(CC=CCC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791499	1	44	-1.0	-42.49	358.45	4.53	-37.96
CC1=CC=C(NC2=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)N=CS2)C=C1	REAL300019791500	0	45	-1.0	-43.48	372.04	2.72	-40.76
CC1=CC=C(NC2=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)N=CS2)C=C1	REAL300019791500	1	45	-1.0	-43.49	371.98	2.72	-40.77
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2=CC=NC=C2)CCC1	REAL300019791501	0	43	-1.0	-43.15	332.68	1.71	-41.44
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2=CC=NC=C2)CCC1	REAL300019791501	1	43	-1.0	-43.17	332.74	1.72	-41.45
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791502	0	37	-1.0	-43.62	320.31	-3.73	-47.35
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791502	1	37	-1.0	-43.66	320.38	-3.73	-47.39
CN1CCOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1=O	REAL300019791503	0	39	-1.0	-45.60	308.21	-1.38	-46.98
CN1CCOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1=O	REAL300019791503	1	39	-1.0	-45.60	308.27	-1.37	-46.97
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791504	0	56	-1.0	-41.49	417.26	-0.06	-41.55
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791504	1	56	-1.0	-41.52	417.32	-0.06	-41.58
C#CCN(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300019791505	0	49	-1.0	-44.69	395.79	2.87	-41.82
C#CCN(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300019791505	1	49	-1.0	-44.71	395.85	2.88	-41.83
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791506	0	46	-1.0	-45.67	395.44	2.86	-42.81
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791506	1	46	-1.0	-45.67	395.38	2.86	-42.81
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=N2)CC1	REAL300019791507	0	40	-1.0	-40.16	323.06	1.72	-38.44
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=N2)CC1	REAL300019791507	1	40	-1.0	-40.19	323.00	1.72	-38.47
O=C(CC1CCCS1(=O)=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791508	0	40	-1.0	-54.56	323.61	-1.74	-56.30
O=C(CC1CCCS1(=O)=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791508	1	40	-1.0	-54.56	323.68	-1.74	-56.30
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791509	0	43	-1.0	-41.12	361.90	2.87	-38.25
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791509	1	43	-1.0	-41.14	361.96	2.88	-38.26
CC1=CC=C(C(=O)C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019791510	0	43	-1.0	-41.63	355.58	3.37	-38.26
CC1=CC=C(C(=O)C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019791510	1	43	-1.0	-41.65	355.64	3.38	-38.27
CC1=CN(C(C)(C)C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791511	0	43	-1.0	-45.43	326.19	1.74	-43.69
CC1=CN(C(C)(C)C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791511	1	43	-1.0	-45.42	326.25	1.74	-43.68
O=C(C1=CC=C2NC=NC2=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791512	0	37	-1.0	-54.98	310.40	1.00	-53.98
O=C(C1=CC=C2NC=NC2=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791512	1	37	-1.0	-54.98	310.46	1.00	-53.98
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791513	0	41	-1.0	-52.25	339.82	1.24	-51.01
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791513	1	41	-1.0	-52.22	339.75	1.24	-50.98
CC1=NN=C(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019791514	0	38	-1.0	-43.63	316.34	-3.95	-47.58
CC1=NN=C(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791514	1	38	-1.0	-43.62	316.41	-3.95	-47.57
O=C(C1=NN=C(C2CC2)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791515	0	36	-1.0	-40.44	302.57	-2.99	-43.43
O=C(C1=NN=C(C2CC2)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791515	1	36	-1.0	-40.47	302.63	-2.98	-43.45
CC1=CC=CC=C1NC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=CS1	REAL300019791516	0	45	-1.0	-44.12	367.20	2.63	-41.49
CC1=CC=CC=C1NC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=CS1	REAL300019791516	1	45	-1.0	-44.10	367.13	2.63	-41.47
CCN1C(Br)=NC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791517	0	37	-1.0	-39.68	317.43	1.00	-38.68
CCN1C(Br)=NC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791517	1	37	-1.0	-39.67	317.36	1.00	-38.67
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791518	0	37	-1.0	-52.41	325.66	-0.64	-53.05
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791518	1	37	-1.0	-52.43	325.72	-0.63	-53.06
O=C(NC(CO)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)OCC1=CC=CC=C1	REAL300019791519	0	49	-1.0	-43.06	403.15	-2.25	-45.31
O=C(NC(CO)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)OCC1=CC=CC=C1	REAL300019791519	1	49	-1.0	-43.05	403.21	-2.25	-45.30
O=C(C1=CC=CN2N=NN=C12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791520	0	35	-1.0	-47.70	292.43	-0.65	-48.35
O=C(C1=CC=CN2N=NN=C12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791520	1	35	-1.0	-47.72	292.37	-0.66	-48.38
O=C(C1=CC(F)=CNC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791521	0	34	-1.0	-49.86	292.78	-1.55	-51.41
O=C(C1=CC(F)=CNC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791521	1	34	-1.0	-49.89	292.85	-1.54	-51.43
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791522	0	37	-1.0	-41.68	325.71	2.40	-39.28
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791522	1	37	-1.0	-41.63	325.65	2.40	-39.23
CC(C)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=C(C#N)C=C1	REAL300019791523	0	44	-1.0	-45.76	341.63	3.21	-42.55
CC(C)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=C(C#N)C=C1	REAL300019791523	1	44	-1.0	-45.71	341.69	3.21	-42.50
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019791524	0	57	-1.0	-43.35	429.12	1.54	-41.81
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019791524	1	57	-1.0	-43.31	429.18	1.55	-41.76
CC(=CC1=CC=C(Br)O1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791525	0	38	-1.0	-40.45	325.26	2.17	-38.28
CC(=CC1=CC=C(Br)O1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791525	1	38	-1.0	-40.41	325.32	2.18	-38.23
O=CC1=CC=C(F)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791526	0	36	-1.0	-48.85	305.20	1.05	-47.80
O=CC1=CC=C(F)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791526	1	36	-1.0	-48.88	305.27	1.06	-47.82
O=CC1=CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019791527	0	39	-1.0	-45.46	326.11	2.04	-43.42
O=CC1=CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019791527	1	39	-1.0	-45.52	326.18	2.05	-43.47
O=CC1=CNC2=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC=C12	REAL300019791528	0	40	-1.0	-53.98	331.43	1.09	-52.89
O=CC1=CNC2=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CC=C12	REAL300019791528	1	40	-1.0	-54.00	331.49	1.10	-52.90
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791529	0	50	-1.0	-45.61	407.18	4.95	-40.66
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791529	1	50	-1.0	-45.63	407.24	4.96	-40.67
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791530	0	50	-1.0	-49.67	407.67	5.18	-44.49
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791530	1	50	-1.0	-49.66	407.73	5.18	-44.48
O=CC1=CC(Br)=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791531	0	36	-1.0	-40.77	321.41	1.58	-39.19
O=CC1=CC(Br)=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791531	1	36	-1.0	-40.81	321.48	1.59	-39.22
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791532	0	41	-1.0	-44.79	332.93	-3.26	-48.05
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791532	1	41	-1.0	-44.78	332.87	-3.27	-48.05
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019791533	0	45	-1.0	-43.54	345.70	0.10	-43.44
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019791533	1	45	-1.0	-43.57	345.75	0.11	-43.46
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791534	0	44	-1.0	-42.35	361.42	2.39	-39.96
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791534	1	44	-1.0	-42.35	361.48	2.39	-39.96
CC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CN=CC=N1	REAL300019791535	0	38	-1.0	-43.73	305.76	-1.17	-44.90
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CN=CC=N1	REAL300019791535	1	38	-1.0	-43.74	305.82	-1.17	-44.91
O=C(C1=CN=C2SC=CC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791536	0	36	-1.0	-40.74	310.57	0.69	-40.05
O=C(C1=CN=C2SC=CC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791536	1	36	-1.0	-40.76	310.50	0.68	-40.08
O=C(CC(F)(F)C(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791537	0	33	-1.0	-42.01	292.75	0.64	-41.37
O=C(CC(F)(F)C(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791537	1	33	-1.0	-42.05	292.81	0.64	-41.41
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791538	0	36	-1.0	-39.75	318.02	0.59	-39.16
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791538	1	36	-1.0	-39.74	317.95	0.59	-39.15
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791539	0	48	-1.0	-50.28	393.07	0.71	-49.57
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791539	1	48	-1.0	-50.36	393.13	0.71	-49.65
O=C(C1=COC(C(F)(F)F)=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791540	0	33	-1.0	-39.07	295.81	-1.70	-40.77
O=C(C1=COC(C(F)(F)F)=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791540	1	33	-1.0	-39.08	295.74	-1.70	-40.78
O=C(C1=C(F)C=NC=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791541	0	33	-1.0	-41.22	290.10	-0.18	-41.40
O=C(C1=C(F)C=NC=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791541	1	33	-1.0	-41.23	290.04	-0.19	-41.42
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791542	0	36	-1.0	-41.85	322.81	1.28	-40.57
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791542	1	36	-1.0	-41.86	322.75	1.28	-40.58
COC1=CC=C(C=O)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791543	0	40	-1.0	-49.60	330.83	0.59	-49.01
COC1=CC=C(C=O)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791543	1	40	-1.0	-49.64	330.89	0.60	-49.04
O=CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300019791544	0	36	-1.0	-44.56	305.59	1.03	-43.53
O=CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300019791544	1	36	-1.0	-44.54	305.66	1.03	-43.51
O=C(C1=CSN=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791545	0	30	-1.0	-43.08	278.61	-0.54	-43.62
O=C(C1=CSN=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791545	1	30	-1.0	-43.09	278.54	-0.55	-43.64
CS(=O)(=O)N1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791546	0	39	-1.0	-49.57	328.86	-3.49	-53.06
CS(=O)(=O)N1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791546	1	39	-1.0	-49.63	328.92	-3.49	-53.12
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791547	0	47	-1.0	-42.61	383.85	3.66	-38.95
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791547	1	47	-1.0	-42.64	383.79	3.65	-38.99
O=C(C1=CSC=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791548	0	31	-1.0	-43.38	284.57	0.82	-42.56
O=C(C1=CSC=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791548	1	31	-1.0	-43.37	284.63	0.82	-42.55
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791549	0	45	-1.0	-42.08	347.38	1.55	-40.53
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791549	1	45	-1.0	-42.07	347.44	1.55	-40.52
CC1=NC(C2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)S2)=CS1	REAL300019791550	0	40	-1.0	-42.27	355.51	1.84	-40.43
CC1=NC(C2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)S2)=CS1	REAL300019791550	1	40	-1.0	-42.29	355.45	1.84	-40.45
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791551	0	50	-1.0	-47.27	407.79	3.89	-43.38
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791551	1	50	-1.0	-47.32	407.86	3.90	-43.42
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791552	0	48	-1.0	-46.01	377.61	4.23	-41.78
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791552	1	48	-1.0	-46.05	377.68	4.24	-41.81
CCC(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL300019791553	0	48	-1.0	-39.80	342.08	2.63	-37.17
CCC(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL300019791553	1	48	-1.0	-39.81	342.14	2.63	-37.18
CCC1=CC=C(F)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791554	0	40	-1.0	-39.83	322.80	2.70	-37.13
CCC1=CC=C(F)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791554	1	40	-1.0	-39.82	322.86	2.70	-37.12
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791555	0	46	-1.0	-48.51	369.08	-1.74	-50.25
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791555	1	46	-1.0	-48.51	369.14	-1.73	-50.24
COCC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=CS1	REAL300019791556	0	38	-1.0	-43.17	320.94	0.11	-43.06
COCC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CS1	REAL300019791556	1	38	-1.0	-43.19	321.00	0.12	-43.07
CN1C=CC2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C21	REAL300019791557	0	41	-1.0	-44.14	331.86	3.02	-41.12
CN1C=CC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C21	REAL300019791557	1	41	-1.0	-44.10	331.92	3.03	-41.07
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019791558	0	46	-1.0	-45.22	364.15	3.42	-41.80
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019791558	1	46	-1.0	-45.16	364.09	3.41	-41.75
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2CCCCO2)CCC1	REAL300019791559	0	48	-1.0	-39.00	352.60	1.79	-37.21
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2CCCCO2)CCC1	REAL300019791559	1	48	-1.0	-39.03	352.66	1.80	-37.23
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019791560	0	46	-1.0	-42.45	363.13	4.05	-38.40
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019791560	1	46	-1.0	-42.47	363.19	4.06	-38.41
CC(C)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=CC(C(F)(F)F)=N1	REAL300019791561	0	45	-1.0	-53.19	354.14	2.31	-50.88
CC(C)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=CC(C(F)(F)F)=N1	REAL300019791561	1	45	-1.0	-53.16	354.08	2.30	-50.86
COC1=CC=C(F)C(OC)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791562	0	42	-1.0	-43.45	351.03	0.33	-43.12
COC1=CC=C(F)C(OC)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791562	1	42	-1.0	-43.45	351.09	0.34	-43.11
COC1=CC=NC(OC)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791563	0	41	-1.0	-47.13	338.74	-2.41	-49.54
COC1=CC=NC(OC)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791563	1	41	-1.0	-47.11	338.67	-2.41	-49.52
COC(=O)C1=NN(C)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791564	0	40	-1.0	-40.93	333.93	-0.41	-41.34
COC(=O)C1=NN(C)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791564	1	40	-1.0	-40.88	333.87	-0.41	-41.29
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C[C@H]1C	REAL300019791565	0	44	-1.0	-45.75	351.39	1.62	-44.13
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C[C@H]1C	REAL300019791565	1	44	-1.0	-45.76	351.45	1.63	-44.13
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019791566	0	50	-1.0	-42.86	395.64	2.98	-39.88
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019791566	1	50	-1.0	-42.88	395.71	2.98	-39.90
O=C(C=CC1=CC=C(Cl)S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791567	0	35	-1.0	-39.96	318.85	2.52	-37.44
O=C(C=CC1=CC=C(Cl)S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791567	1	35	-1.0	-39.94	318.91	2.53	-37.41
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791568	0	42	-1.0	-44.19	356.53	2.69	-41.50
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791568	1	42	-1.0	-44.21	356.59	2.70	-41.51
O=C(C1=NN(C2CCOCC2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791569	0	45	-1.0	-43.38	353.42	0.54	-42.84
O=C(C1=NN(C2CCOCC2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791569	1	45	-1.0	-43.38	353.36	0.53	-42.85
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCC(O)(C3=N[N-]N=N3)CC1)OC2=O	REAL300019791570	0	47	-1.0	-40.61	351.34	2.21	-38.40
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCC(O)(C3=NN=N[N-]3)CC1)OC2=O	REAL300019791570	1	47	-1.0	-40.61	351.41	2.21	-38.40
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C(C2=CC=CC=C2)O1	REAL300019791571	0	44	-1.0	-41.44	359.52	3.96	-37.48
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C(C2=CC=CC=C2)O1	REAL300019791571	1	44	-1.0	-41.41	359.58	3.97	-37.44
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791572	0	42	-1.0	-48.86	337.33	-0.24	-49.10
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791572	1	42	-1.0	-48.87	337.40	-0.24	-49.11
O=C(CC1CCC(F)(F)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791573	0	43	-1.0	-41.66	333.79	2.74	-38.92
O=C(CC1CCC(F)(F)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791573	1	43	-1.0	-41.67	333.86	2.74	-38.93
CC1=CN(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=C1C(F)(F)F	REAL300019791574	0	40	-1.0	-48.85	344.72	1.31	-47.54
CC1=CN(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=C1C(F)(F)F	REAL300019791574	1	40	-1.0	-48.87	344.66	1.30	-47.57
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791575	0	44	-1.0	-41.03	351.59	4.31	-36.72
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791575	1	44	-1.0	-41.03	351.65	4.31	-36.72
O=C(C1=CC=C(C(F)F)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791576	0	34	-1.0	-39.70	293.93	0.62	-39.08
O=C(C1=CC=C(C(F)F)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791576	1	34	-1.0	-39.66	293.99	0.62	-39.04
O=C(C1=C(C(F)F)N=CO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791577	0	33	-1.0	-43.82	283.64	-2.85	-46.67
O=C(C1=C(C(F)F)N=CO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791577	1	33	-1.0	-43.86	283.70	-2.85	-46.71
O=C(C1=CC=CC(C#CCO)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791578	0	40	-1.0	-48.15	337.85	0.09	-48.06
O=C(C1=CC=CC(C#CCO)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791578	1	40	-1.0	-48.12	337.91	0.09	-48.03
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791579	0	48	-1.0	-42.16	376.12	-4.20	-46.36
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791579	1	48	-1.0	-42.19	376.18	-4.20	-46.39
O=C(CCCN1C=NC=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791580	0	39	-1.0	-49.89	321.52	2.54	-47.35
O=C(CCCN1C=NC=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791580	1	39	-1.0	-49.90	321.46	2.54	-47.36
CC1=C(C=O)C(C)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N1	REAL300019791581	0	40	-1.0	-42.44	324.15	0.52	-41.92
CC1=C(C=O)C(C)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N1	REAL300019791581	1	40	-1.0	-42.43	324.21	0.53	-41.90
O=C(CN1CCNC(=O)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791582	0	40	-1.0	-48.88	315.00	-4.34	-53.22
O=C(CN1CCNC(=O)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791582	1	40	-1.0	-48.86	315.07	-4.33	-53.19
COC1=CC(CO)=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791583	0	42	-1.0	-47.40	339.80	-1.36	-48.76
COC1=CC(CO)=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791583	1	42	-1.0	-47.44	339.86	-1.36	-48.80
O=C(CC1CCN(CC(F)F)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791584	0	48	-1.0	-42.27	367.95	1.25	-41.02
O=C(CC1CCN(CC(F)F)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791584	1	48	-1.0	-42.26	368.02	1.25	-41.01
COC1=CC(OC)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1C=O	REAL300019791585	0	44	-1.0	-48.64	359.06	1.30	-47.34
COC1=CC(OC)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1C=O	REAL300019791585	1	44	-1.0	-48.60	359.13	1.30	-47.30
NC1=C2N=CN(CCCC(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C2=NC=N1	REAL300019791586	0	46	-1.0	-52.48	377.90	2.49	-49.99
NC1=C2N=CN(CCCC(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C2=NC=N1	REAL300019791586	1	46	-1.0	-52.52	377.83	2.48	-50.04
NC1=C2N=CN(CCCCC(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C2=NC=N1	REAL300019791587	0	49	-1.0	-47.46	399.39	3.27	-44.19
NC1=C2N=CN(CCCCC(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C2=NC=N1	REAL300019791587	1	49	-1.0	-47.40	399.32	3.26	-44.14
CC(C)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)[NH+]1CCCCC1	REAL300019791588	0	49	0.0	-51.36	340.09	2.36	-49.00
CC(C)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300019791588	1	49	0.0	-51.36	340.15	2.36	-49.00
O=C(CC(O)COCC1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791589	0	48	-1.0	-48.36	389.60	1.00	-47.36
O=C(CC(O)COCC1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791589	1	48	-1.0	-48.38	389.66	1.00	-47.38
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(Cl)=NN1	REAL300019791590	0	34	-1.0	-40.19	301.15	-1.06	-41.25
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(Cl)=NN1	REAL300019791590	1	34	-1.0	-40.14	301.21	-1.06	-41.20
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791591	0	45	-1.0	-45.99	366.45	2.52	-43.47
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791591	1	45	-1.0	-46.00	366.52	2.52	-43.48
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791592	0	54	-1.0	-42.61	409.34	2.42	-40.19
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791592	1	54	-1.0	-42.63	409.40	2.43	-40.20
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791593	0	40	-1.0	-45.89	343.09	3.53	-42.36
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791593	1	40	-1.0	-45.94	343.03	3.53	-42.41
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019791594	0	44	-1.0	-56.31	358.64	-0.40	-56.71
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019791594	1	44	-1.0	-56.31	358.70	-0.39	-56.70
CC1CCC2=NC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CN2C1	REAL300019791595	0	44	-1.0	-44.47	343.34	2.90	-41.57
CC1CCC2=NC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CN2C1	REAL300019791595	1	44	-1.0	-44.43	343.41	2.91	-41.52
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791596	0	43	-1.0	-43.09	350.45	3.02	-40.07
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791596	1	43	-1.0	-43.08	350.51	3.02	-40.06
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791597	0	48	-1.0	-42.39	385.83	6.23	-36.16
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791597	1	48	-1.0	-42.40	385.89	6.23	-36.17
CC1=NC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL300019791598	0	37	-1.0	-41.98	318.92	0.81	-41.17
CC1=NC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL300019791598	1	37	-1.0	-41.99	318.98	0.81	-41.18
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791599	0	44	-1.0	-46.77	350.61	0.64	-46.13
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791599	1	44	-1.0	-46.75	350.55	0.63	-46.12
O=C(C1=CC=NC2=CC=NN21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791600	0	36	-1.0	-44.30	304.41	0.21	-44.09
O=C(C1=CC=NC2=CC=NN21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791600	1	36	-1.0	-44.30	304.34	0.21	-44.09
NC(=O)C1=CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791601	0	40	-1.0	-46.55	334.71	-2.63	-49.18
NC(=O)C1=CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791601	1	40	-1.0	-46.58	334.64	-2.63	-49.21
O=CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL300019791602	0	33	-1.0	-43.72	292.18	0.12	-43.60
O=CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL300019791602	1	33	-1.0	-43.75	292.24	0.12	-43.63
O=C(C1=NC=CN=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791603	0	32	-1.0	-44.44	280.16	-1.01	-45.45
O=C(C1=NC=CN=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791603	1	32	-1.0	-44.46	280.10	-1.02	-45.48
O=C(C1=NC2=CC=NN2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791604	0	36	-1.0	-41.66	300.89	1.03	-40.63
O=C(C1=NC2=CC=NN2C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791604	1	36	-1.0	-41.66	300.82	1.02	-40.64
CN1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N(C)C1=O	REAL300019791605	0	38	-1.0	-45.03	315.91	0.18	-44.85
CN1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N(C)C1=O	REAL300019791605	1	38	-1.0	-45.02	315.97	0.19	-44.83
CC1=C(C)C(=O)N(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1=O	REAL300019791606	0	44	-1.0	-45.22	365.72	0.95	-44.27
CC1=C(C)C(=O)N(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1=O	REAL300019791606	1	44	-1.0	-45.26	365.78	0.95	-44.31
O=C(C1CC2CSCC(C1)C2=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791607	0	44	-1.0	-41.95	337.27	1.71	-40.24
O=C(C1CC2CSCC(C1)C2=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791607	1	44	-1.0	-42.00	337.33	1.72	-40.28
CCOC(=O)C1CCCN(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791608	0	51	-1.0	-42.14	394.85	1.23	-40.91
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791608	1	52	0.0	-61.77	390.66	3.55	-58.22
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791608	1	52	0.0	-61.59	396.77	3.41	-58.18
CCOC(=O)C1CCCN(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791608	1	51	-1.0	-42.14	394.92	1.23	-40.91
CCC(C)C(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)N1C=CC=C1C=O	REAL300019791609	0	49	-1.0	-41.12	377.50	3.68	-37.44
CCC(C)C(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)N1C=CC=C1C=O	REAL300019791609	1	49	-1.0	-41.10	377.56	3.68	-37.42
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791610	0	54	0.0	-62.42	376.10	1.68	-60.74
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791610	1	54	0.0	-62.43	376.16	1.68	-60.75
O=C(C1CCC(N2CCOCC2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791610	1	53	-1.0	-41.52	387.55	-0.04	-41.56
O=C(C1CCC(N2CCOCC2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791610	1	53	-1.0	-41.51	387.61	-0.04	-41.55
CC1=NNC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1C(F)(F)F	REAL300019791611	0	37	-1.0	-37.94	315.54	-0.47	-38.41
CC1=NNC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1C(F)(F)F	REAL300019791611	1	37	-1.0	-37.93	315.61	-0.47	-38.40
O=CC1=CC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019791612	0	40	-1.0	-45.42	334.79	2.54	-42.88
O=CC1=CC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019791612	1	40	-1.0	-45.44	334.86	2.54	-42.90
O=CC1=CC(F)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1F	REAL300019791613	0	36	-1.0	-45.96	313.58	1.22	-44.74
O=CC1=CC(F)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1F	REAL300019791613	1	36	-1.0	-45.93	313.65	1.22	-44.71
CN1CCOC2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C21	REAL300019791614	0	44	-1.0	-43.22	343.17	-0.11	-43.33
CN1CCOC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C21	REAL300019791614	1	44	-1.0	-43.23	343.24	-0.11	-43.34
CC1CCN2C=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)N=C2C1	REAL300019791615	0	44	-1.0	-44.72	343.34	2.93	-41.79
CC1CCN2C=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)N=C2C1	REAL300019791615	1	44	-1.0	-44.70	343.40	2.93	-41.77
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791616	0	50	0.0	-56.95	351.45	0.56	-56.39
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791616	1	50	0.0	-56.95	351.51	0.57	-56.38
CC(C)(CN1CCOCC1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791616	1	49	-1.0	-41.37	353.67	-0.58	-41.95
CC(C)(CN1CCOCC1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791616	1	49	-1.0	-41.33	353.74	-0.58	-41.91
CN1CC[N@H+](C)CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791617	0	48	0.0	-60.58	349.17	-0.07	-60.65
CN1CC[N@@H+](C)CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791617	1	48	0.0	-60.35	343.52	-0.68	-61.03
CN1CC[N@H+](C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791617	1	48	0.0	-60.62	349.23	-0.06	-60.68
CN1CC[N@@H+](C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791617	1	48	0.0	-60.38	343.58	-0.68	-61.06
N#CC1=CN=C(Cl)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794202	0	34	-1.0	-43.48	309.94	0.27	-43.21
N#CC1=CN=C(Cl)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794202	1	34	-1.0	-43.48	309.88	0.27	-43.21
O=C(C1=C2C(=O)NCC2=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794203	0	39	-1.0	-58.54	318.70	-0.40	-58.94
O=C(C1=C2C(=O)NCC2=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794203	1	39	-1.0	-58.56	318.77	-0.39	-58.95
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794204	0	44	-1.0	-42.62	357.19	1.04	-41.58
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794204	1	44	-1.0	-42.64	357.26	1.04	-41.60
CCC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300019794205	0	40	-1.0	-41.57	335.23	3.16	-38.41
CCC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300019794205	1	40	-1.0	-41.58	335.30	3.16	-38.42
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794206	0	48	-1.0	-41.28	380.89	0.29	-40.99
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794206	1	48	-1.0	-41.30	380.83	0.29	-41.01
O=C(C1=CC=C(CC2CC2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794207	0	44	-1.0	-41.50	351.85	4.29	-37.21
O=C(C1=CC=C(CC2CC2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794207	1	44	-1.0	-41.47	351.92	4.29	-37.18
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794208	0	37	-1.0	-42.89	326.71	2.26	-40.63
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794208	1	37	-1.0	-42.93	326.78	2.26	-40.67
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794209	0	36	-1.0	-46.12	324.98	1.34	-44.78
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794209	1	36	-1.0	-46.11	324.91	1.33	-44.78
N#CC1=CC=C(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300019794210	0	41	-1.0	-42.91	350.52	3.53	-39.38
N#CC1=CC=C(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300019794210	1	41	-1.0	-42.93	350.59	3.54	-39.39
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794211	0	40	-1.0	-45.40	336.60	-1.35	-46.75
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794211	1	40	-1.0	-45.35	336.67	-1.35	-46.70
O=C(C1=CN=C2CCCCC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794212	0	43	-1.0	-42.02	335.82	1.98	-40.04
O=C(C1=CN=C2CCCCC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794212	1	43	-1.0	-42.04	335.88	1.99	-40.05
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794213	0	42	-1.0	-41.11	344.59	3.30	-37.81
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794213	1	42	-1.0	-41.10	344.65	3.30	-37.80
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794214	0	44	-1.0	-39.78	352.88	4.27	-35.51
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794214	1	44	-1.0	-39.78	352.94	4.28	-35.50
COCCN1C=CC2=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC=C21	REAL300019794215	0	48	-1.0	-43.98	387.41	3.01	-40.97
COCCN1C=CC2=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CC=C21	REAL300019794215	1	48	-1.0	-43.97	387.47	3.01	-40.96
CC(C)N1C=CC2=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC=C21	REAL300019794216	0	47	-1.0	-43.52	371.76	4.41	-39.11
CC(C)N1C=CC2=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CC=C21	REAL300019794216	1	47	-1.0	-43.53	371.83	4.42	-39.11
O=C(C=CC1=CC=C2OCOC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794217	0	41	-1.0	-44.17	337.71	1.51	-42.66
O=C(C=CC1=CC=C2OCOC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794217	1	41	-1.0	-44.14	337.77	1.51	-42.63
CC1(C)COCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794218	0	44	-1.0	-38.38	319.40	0.23	-38.15
CC1(C)COCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794218	1	44	-1.0	-38.40	319.46	0.23	-38.17
O=C(C1=CC=CC2=NN=CN21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794219	0	36	-1.0	-43.54	302.88	2.43	-41.11
O=C(C1=CC=CC2=NN=CN21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794219	1	36	-1.0	-43.56	302.82	2.42	-41.14
C=CCOCC(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL300019794220	0	50	-1.0	-38.61	367.41	2.33	-36.28
C=CCOCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL300019794220	1	50	-1.0	-38.62	367.47	2.33	-36.29
CC12CCCN1S(=O)(=O)C(C(=O)N1CCC(O)(C3=N[N-]N=N3)CC1)C2	REAL300019794221	0	46	-1.0	-47.24	349.20	-1.37	-48.61
CC12CCCN1S(=O)(=O)C(C(=O)N1CCC(O)(C3=NN=N[N-]3)CC1)C2	REAL300019794221	1	46	-1.0	-47.26	349.26	-1.37	-48.63
CN1N=CC(C(F)F)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794222	0	37	-1.0	-40.68	316.75	-0.05	-40.73
CN1N=CC(C(F)F)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794222	1	37	-1.0	-40.67	316.69	-0.05	-40.72
CC1=NN(C2CCC2)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794223	0	44	-1.0	-40.86	344.35	1.86	-39.00
CC1=NN(C2CCC2)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794223	1	44	-1.0	-40.86	344.42	1.86	-39.00
O=C(C1=CC=NN1CCC(F)(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794224	0	40	-1.0	-40.79	337.82	1.08	-39.71
O=C(C1=CC=NN1CCC(F)(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794224	1	40	-1.0	-40.72	337.76	1.07	-39.65
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794225	0	45	-1.0	-43.94	373.91	3.53	-40.41
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794225	1	45	-1.0	-43.87	373.97	3.53	-40.34
CC1(C)CCCOC1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794226	0	47	-1.0	-41.93	346.52	2.03	-39.90
CC1(C)CCCOC1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794226	1	47	-1.0	-41.92	346.58	2.04	-39.88
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794227	0	40	-1.0	-40.56	349.62	0.50	-40.06
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794227	1	40	-1.0	-40.55	349.68	0.50	-40.05
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794228	0	38	-1.0	-42.85	333.90	3.39	-39.46
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794228	1	38	-1.0	-42.90	333.96	3.40	-39.50
CC(=O)NC(COC(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794229	0	47	-1.0	-47.78	367.31	-0.52	-48.30
CC(=O)NC(COC(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794229	1	47	-1.0	-47.81	367.37	-0.52	-48.33
CC1(C)OCC(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019794230	0	45	-1.0	-40.97	354.63	0.49	-40.48
CC1(C)OCC(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019794230	1	45	-1.0	-40.99	354.69	0.50	-40.49
CCCCOC1=CC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019794231	0	51	-1.0	-41.15	405.94	4.64	-36.51
CCCCOC1=CC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019794231	1	51	-1.0	-41.13	406.00	4.64	-36.49
COC1=CC2=CC=C(CC(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019794232	0	47	-1.0	-44.85	378.30	3.87	-40.98
COC1=CC2=CC=C(CC(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019794232	1	47	-1.0	-44.88	378.37	3.87	-41.01
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794233	0	52	-1.0	-40.35	396.75	5.40	-34.95
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794233	1	52	-1.0	-40.33	396.82	5.41	-34.92
COC1=CC=C(Br)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1C	REAL300019794234	0	41	-1.0	-42.54	350.10	1.91	-40.63
COC1=CC=C(Br)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1C	REAL300019794234	1	41	-1.0	-42.52	350.16	1.91	-40.61
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794235	0	40	-1.0	-41.12	343.17	-0.80	-41.92
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794235	1	40	-1.0	-41.14	343.24	-0.80	-41.94
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794236	0	44	-1.0	-51.77	371.11	0.91	-50.86
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794236	1	44	-1.0	-51.79	371.18	0.91	-50.88
CC12CCC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)(CC1)OC2	REAL300019794237	0	45	-1.0	-39.05	330.84	1.17	-37.88
CC12CCC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)(CC1)OC2	REAL300019794237	1	45	-1.0	-39.04	330.91	1.17	-37.87
O=C(C1=CC=C2C=COC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794238	0	37	-1.0	-44.56	304.50	1.61	-42.95
O=C(C1=CC=C2C=COC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794238	1	37	-1.0	-44.58	304.57	1.61	-42.97
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794239	0	34	-1.0	-38.03	310.72	2.00	-36.03
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794239	1	34	-1.0	-38.01	310.79	2.00	-36.01
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794240	0	40	-1.0	-43.05	339.74	2.27	-40.78
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794240	1	40	-1.0	-43.05	339.80	2.28	-40.77
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794241	0	39	-1.0	-40.12	328.44	1.79	-38.33
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794241	1	39	-1.0	-40.11	328.38	1.78	-38.33
COC(=O)C1=CC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019794242	0	43	-1.0	-45.15	362.28	1.68	-43.47
COC(=O)C1=CC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019794242	1	43	-1.0	-45.15	362.34	1.68	-43.47
CC1=C(C)NC(=O)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794243	0	40	-1.0	-56.38	326.94	-0.41	-56.79
CC1=C(C)NC(=O)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794243	1	40	-1.0	-56.32	327.01	-0.40	-56.72
CCN1N=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1C	REAL300019794244	0	40	-1.0	-44.65	322.06	1.05	-43.60
CCN1N=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1C	REAL300019794244	1	40	-1.0	-44.66	322.12	1.06	-43.60
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794245	0	43	-1.0	-41.99	358.68	3.82	-38.17
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794245	1	43	-1.0	-42.03	358.74	3.82	-38.21
CC(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300019794246	0	43	-1.0	-43.14	350.35	3.68	-39.46
CC(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=C(F)C(F)=C1	REAL300019794246	1	43	-1.0	-43.13	350.42	3.69	-39.44
CCCN1C=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794247	0	41	-1.0	-41.72	322.87	2.38	-39.34
CCCN1C=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794247	1	41	-1.0	-41.69	322.94	2.38	-39.31
CC(C)(C)N1C=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019794248	0	46	-1.0	-44.89	365.66	2.13	-42.76
CC(C)(C)N1C=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019794248	1	46	-1.0	-44.88	365.59	2.13	-42.75
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794249	0	41	-1.0	-47.92	343.65	1.43	-46.49
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794249	1	41	-1.0	-47.94	343.71	1.43	-46.51
CC1=CC=C(C2(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)CC2)C(F)=C1	REAL300019794250	0	44	-1.0	-45.53	353.86	3.88	-41.65
CC1=CC=C(C2(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)CC2)C(F)=C1	REAL300019794250	1	44	-1.0	-45.55	353.92	3.89	-41.66
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794251	0	34	-2.0	-90.86	309.14	0.23	-90.63
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794251	1	34	-2.0	-90.86	309.20	0.23	-90.63
CCCC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=NN1CC	REAL300019794252	0	45	-1.0	-43.03	352.88	0.94	-42.09
CCCC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=NN1CC	REAL300019794252	1	45	-1.0	-43.04	352.94	0.94	-42.10
CCC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)SC(C2=NNC=N2)=N1	REAL300019794253	0	42	-1.0	-46.51	360.39	0.66	-45.85
CCC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)SC(C2=NNC=N2)=N1	REAL300019794253	1	42	-1.0	-46.54	360.45	0.66	-45.88
O=C(NC1=CC=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)N1CCCCC1	REAL300019794254	0	53	-1.0	-43.16	406.51	3.37	-39.79
O=C(NC1=CC=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)N1CCCCC1	REAL300019794254	1	53	-1.0	-43.14	406.57	3.38	-39.76
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794255	0	37	-1.0	-41.25	327.40	1.62	-39.63
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794255	1	37	-1.0	-41.20	327.47	1.63	-39.57
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794256	0	44	-1.0	-44.44	355.79	2.33	-42.11
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794256	1	44	-1.0	-44.42	355.86	2.34	-42.08
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794257	0	46	-1.0	-45.77	376.13	-0.00	-45.77
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794257	1	46	-1.0	-45.80	376.20	0.00	-45.80
CC1=NNC2=C1CC(C(=O)N1CCC(O)(C3=N[N-]N=N3)CC1)CC2	REAL300019794258	0	44	-1.0	-44.51	342.67	0.81	-43.70
CC1=NNC2=C1CC(C(=O)N1CCC(O)(C3=NN=N[N-]3)CC1)CC2	REAL300019794258	1	44	-1.0	-44.56	342.73	0.81	-43.75
CC1=C2CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)CCC2=NN1	REAL300019794258	1	44	-1.0	-42.68	342.19	0.76	-41.92
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794259	0	45	-1.0	-45.65	362.68	1.50	-44.15
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794259	1	45	-1.0	-45.64	362.74	1.51	-44.13
CSC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019794260	0	40	-1.0	-41.09	340.62	2.79	-38.30
CSC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300019794260	1	40	-1.0	-41.08	340.69	2.80	-38.28
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794261	0	44	-1.0	-47.03	343.80	2.78	-44.25
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794261	1	44	-1.0	-47.02	343.86	2.78	-44.24
C=C1CCC1(C(=O)OC)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794262	0	41	-1.0	-39.48	332.15	1.34	-38.14
C=C1CCC1(C(=O)OC)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794262	1	41	-1.0	-39.48	332.22	1.34	-38.14
NS(=O)(=O)C1=COC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794263	0	36	-1.0	-46.95	316.01	-5.47	-52.42
NS(=O)(=O)C1=COC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794263	1	36	-1.0	-46.97	316.07	-5.47	-52.44
N#CC1=CC2=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=NN2C=C1	REAL300019794264	0	38	-1.0	-46.88	327.77	1.49	-45.39
N#CC1=CC2=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=NN2C=C1	REAL300019794264	1	38	-1.0	-46.87	327.71	1.48	-45.39
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794265	0	44	-1.0	-42.73	364.29	2.66	-40.07
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794265	1	44	-1.0	-42.75	364.35	2.66	-40.09
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794266	0	48	-1.0	-49.27	377.78	0.27	-49.00
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794266	1	48	-1.0	-49.22	377.84	0.28	-48.94
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794267	0	38	-1.0	-40.64	328.66	0.49	-40.15
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794267	1	38	-1.0	-40.64	328.72	0.49	-40.15
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C[C@@H]1CC2=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)NN=C2[C@H](C)O1	REAL300019794269	0	45	-1.0	-39.74	358.53	-0.57	-40.31
C[C@@H]1CC2=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)NN=C2[C@H](C)O1	REAL300019794269	1	45	-1.0	-39.77	358.59	-0.56	-40.33
C[C@@H]1CC2=C(NN=C2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[C@H](C)O1	REAL300019794269	1	45	-1.0	-43.58	352.98	-0.15	-43.73
C[C@@H]1CC2=C(NN=C2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[C@H](C)O1	REAL300019794269	1	45	-1.0	-43.55	353.04	-0.14	-43.69
O=C(C1=CN(CCO)N=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794270	0	37	-1.0	-43.24	309.36	-4.29	-47.53
O=C(C1=CN(CCO)N=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794270	1	37	-1.0	-43.25	309.29	-4.30	-47.55
O=C(CCC1=C(Br)C=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794271	0	37	-1.0	-39.81	333.91	2.75	-37.06
O=C(CCC1=C(Br)C=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794271	1	37	-1.0	-39.80	333.97	2.76	-37.04
O=C(CCNC1=CN=CN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794272	0	40	-1.0	-44.45	327.81	-0.70	-45.15
O=C(CCNC1=CN=CN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794272	1	40	-1.0	-44.48	327.75	-0.71	-45.19
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019794273	0	55	-1.0	-45.09	413.01	4.39	-40.70
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019794273	1	55	-1.0	-45.12	413.07	4.39	-40.73
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794274	0	43	-1.0	-45.34	356.81	2.87	-42.47
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794274	1	43	-1.0	-45.37	356.75	2.86	-42.51
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794275	0	41	-1.0	-45.89	351.62	2.83	-43.06
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794275	1	41	-1.0	-45.88	351.55	2.83	-43.05
O=C(CC1CC2(CCC2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794276	0	44	-1.0	-40.92	339.51	3.25	-37.67
O=C(CC1CC2(CCC2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794276	1	44	-1.0	-40.92	339.57	3.26	-37.66
O=C(C1CCCC(F)(F)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794277	0	43	-1.0	-39.97	327.77	2.29	-37.68
O=C(C1CCCC(F)(F)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794277	1	43	-1.0	-39.95	327.84	2.29	-37.66
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794278	0	41	-1.0	-43.36	331.13	0.82	-42.54
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794278	1	41	-1.0	-43.38	331.20	0.82	-42.56
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794279	0	42	-1.0	-54.55	348.04	2.96	-51.59
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794279	1	42	-1.0	-54.53	348.10	2.97	-51.56
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794280	0	41	-1.0	-43.50	338.33	3.50	-40.00
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794280	1	41	-1.0	-43.49	338.40	3.50	-39.99
O=C(CCCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)NC1=CC=CC=C1	REAL300019794281	0	53	-1.0	-50.83	422.22	3.73	-47.10
O=C(CCCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)NC1=CC=CC=C1	REAL300019794281	1	53	-1.0	-50.82	422.28	3.74	-47.08
O=C(C1CCC2=CC=NN2C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794282	0	41	-1.0	-43.73	323.67	0.78	-42.95
O=C(C1CCC2=CC=NN2C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794282	1	41	-1.0	-43.77	323.74	0.78	-42.99
O=C(C1=C2C=NSC2=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794283	0	36	-1.0	-45.10	310.38	1.41	-43.69
O=C(C1=C2C=NSC2=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794283	1	36	-1.0	-45.04	310.31	1.41	-43.63
O=C(C1=CC=CC2=NON=C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794284	0	35	-1.0	-49.21	295.39	0.18	-49.03
O=C(C1=CC=CC2=NON=C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794284	1	35	-1.0	-49.19	295.33	0.17	-49.02
CN1C=C(OCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019794285	0	38	-1.0	-46.48	316.59	0.02	-46.46
CN1C=C(OCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019794285	1	38	-1.0	-46.46	316.53	0.02	-46.44
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300019794286	0	40	-1.0	-50.34	353.62	-0.66	-51.00
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300019794286	1	40	-1.0	-50.34	353.68	-0.66	-51.00
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC(C2CC2)=NO1	REAL300019794287	0	42	-1.0	-40.31	333.51	1.06	-39.25
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC(C2CC2)=NO1	REAL300019794287	1	42	-1.0	-40.31	333.57	1.07	-39.24
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NO1	REAL300019794288	0	50	-1.0	-41.63	402.17	-0.24	-41.87
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NO1	REAL300019794288	1	50	-1.0	-41.66	402.23	-0.23	-41.89
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794289	0	39	-1.0	-39.61	332.56	2.33	-37.28
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794289	1	39	-1.0	-39.65	332.62	2.33	-37.32
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019794290	0	41	-1.0	-43.10	338.62	3.34	-39.76
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019794290	1	41	-1.0	-43.10	338.69	3.35	-39.75
CN(C)C1=CC2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019794291	0	48	-1.0	-43.88	376.67	3.95	-39.93
CN(C)C1=CC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019794291	1	48	-1.0	-43.87	376.73	3.96	-39.91
COC1(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019794292	0	55	-1.0	-48.96	424.86	1.44	-47.52
COC1(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019794292	1	55	-1.0	-49.02	424.92	1.45	-47.57
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(CC2=NNN=C2)CCCC1	REAL300019794293	0	46	-1.0	-47.72	347.16	0.04	-47.68
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(CC2=NNN=C2)CCCC1	REAL300019794293	1	46	-1.0	-47.74	347.22	0.05	-47.69
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794294	0	55	-1.0	-42.66	416.38	3.45	-39.21
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794294	1	55	-1.0	-42.63	416.31	3.45	-39.18
C#CC1=CC=C(C2CC2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019794295	0	43	-1.0	-42.23	357.43	4.83	-37.40
C#CC1=CC=C(C2CC2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019794295	1	43	-1.0	-42.26	357.49	4.84	-37.42
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C=N1	REAL300019794296	0	42	-1.0	-43.68	342.54	2.40	-41.28
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C=N1	REAL300019794296	1	42	-1.0	-43.74	342.61	2.40	-41.34
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2CCC2)CC1(F)F	REAL300019794297	0	41	-1.0	-38.94	319.79	2.42	-36.52
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2CCC2)CC1(F)F	REAL300019794297	1	41	-1.0	-38.95	319.85	2.43	-36.52
CN1N=CC2=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C(C3CC3)N=C21	REAL300019794298	0	46	-1.0	-43.16	372.83	2.47	-40.69
CN1N=CC2=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C(C3CC3)N=C21	REAL300019794298	1	46	-1.0	-43.21	372.89	2.47	-40.74
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019794299	0	44	-1.0	-40.26	343.49	2.70	-37.56
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019794299	1	44	-1.0	-40.27	343.56	2.70	-37.57
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794300	0	54	-1.0	-52.92	410.82	0.69	-52.23
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794300	1	54	-1.0	-52.94	410.88	0.70	-52.24
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794301	0	46	-1.0	-40.23	337.33	2.70	-37.53
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794301	1	46	-1.0	-40.20	337.38	2.71	-37.49
O=C(C=CC1=CC=NC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794302	0	37	-1.0	-42.17	306.69	1.07	-41.10
O=C(C=CC1=CC=NC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794302	1	37	-1.0	-42.18	306.75	1.07	-41.11
COC1=CC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(OC)=C1OC	REAL300019794303	0	50	-1.0	-45.38	405.59	2.09	-43.29
COC1=CC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(OC)=C1OC	REAL300019794303	1	50	-1.0	-45.43	405.66	2.09	-43.34
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794304	0	50	-1.0	-46.62	387.97	1.03	-45.59
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794304	1	50	-1.0	-46.59	388.03	1.04	-45.55
O=C(C1=C2C(=O)NCCN2N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794305	0	39	-1.0	-54.06	318.39	-2.55	-56.61
O=C(C1=C2C(=O)NCCN2N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794305	1	39	-1.0	-54.08	318.33	-2.55	-56.63
CC=CC1=CC=C(OCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300019794306	0	49	-1.0	-47.95	393.77	3.96	-43.99
CC=CC1=CC=C(OCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300019794306	1	49	-1.0	-47.95	393.83	3.96	-43.99
O=C(C1CC(=O)CC12CCC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794307	0	43	-1.0	-46.88	326.64	2.27	-44.61
O=C(C1CC(=O)CC12CCC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794307	1	43	-1.0	-46.91	326.70	2.27	-44.64
CC1=CNC2=NC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C12	REAL300019794308	0	40	-1.0	-44.13	326.01	1.17	-42.96
CC1=CNC2=NC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C12	REAL300019794308	1	40	-1.0	-44.14	326.08	1.18	-42.96
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794309	0	41	-1.0	-43.82	342.54	0.00	-43.82
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794309	1	41	-1.0	-43.83	342.61	0.01	-43.82
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794310	0	51	-1.0	-45.22	383.61	4.17	-41.05
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794310	1	51	-1.0	-45.19	383.67	4.17	-41.02
CC1=NN=C(CC2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C2)O1	REAL300019794311	0	45	-1.0	-47.45	373.00	-1.32	-48.77
CC1=NN=C(CC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C2)O1	REAL300019794311	1	45	-1.0	-47.47	373.06	-1.31	-48.78
O=C(C1CC2=CC=CN=C2C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794312	0	40	-1.0	-41.81	316.64	1.42	-40.39
O=C(C1CC2=CC=CN=C2C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794312	1	40	-1.0	-41.80	316.71	1.43	-40.37
O=C(C1CC(C2CC2)=NO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794313	0	39	-1.0	-45.03	316.08	1.44	-43.59
O=C(C1CC(C2CC2)=NO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794313	1	39	-1.0	-45.00	316.15	1.44	-43.56
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794314	0	46	-1.0	-43.27	378.57	5.18	-38.09
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794314	1	46	-1.0	-43.24	378.64	5.19	-38.05
CC1=CC2=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CN=C2C(F)=C1	REAL300019794315	0	42	-1.0	-42.35	347.54	2.35	-40.00
CC1=CC2=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CN=C2C(F)=C1	REAL300019794315	1	42	-1.0	-42.30	347.47	2.34	-39.96
CN1C=C(C2=NC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CO2)C=N1	REAL300019794316	0	40	-1.0	-45.51	339.12	-1.29	-46.80
CN1C=C(C2=NC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CO2)C=N1	REAL300019794316	1	40	-1.0	-45.53	339.06	-1.29	-46.82
COC1=C2C=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)NC2=C(C)C=C1	REAL300019794317	0	45	-1.0	-43.87	359.60	1.70	-42.17
COC1=C2C=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)NC2=C(C)C=C1	REAL300019794317	1	45	-1.0	-43.82	359.67	1.71	-42.11
CCCCOC1=CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019794318	0	50	-1.0	-43.17	397.19	4.12	-39.05
CCCCOC1=CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019794318	1	50	-1.0	-43.17	397.26	4.13	-39.04
COC1=NC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019794319	0	43	-1.0	-42.62	351.45	0.17	-42.45
COC1=NC2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019794319	1	43	-1.0	-42.58	351.38	0.17	-42.41
CC1=CN2C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CN=C2S1	REAL300019794320	0	37	-1.0	-44.09	315.72	1.61	-42.48
CC1=CN2C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CN=C2S1	REAL300019794320	1	37	-1.0	-44.08	315.66	1.60	-42.48
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794321	0	44	-1.0	-43.11	371.95	2.64	-40.47
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794321	1	44	-1.0	-43.04	372.02	2.65	-40.39
O=C(C1=CC(Cl)=C(Cl)S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794322	0	31	-1.0	-36.94	301.36	1.41	-35.53
O=C(C1=CC(Cl)=C(Cl)S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794322	1	31	-1.0	-36.91	301.42	1.42	-35.49
CC(C)(C)C1=CC=NC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794323	0	45	-1.0	-42.53	349.37	2.73	-39.80
CC(C)(C)C1=CC=NC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794323	1	45	-1.0	-42.52	349.30	2.72	-39.80
COC1CC2(C1)CCC(C(=O)N1CCC(O)(C3=N[N-]N=N3)CC1)CC2	REAL300019794324	0	51	-1.0	-42.01	381.61	2.38	-39.63
COC1CC2(C1)CCC(C(=O)N1CCC(O)(C3=NN=N[N-]3)CC1)CC2	REAL300019794324	1	51	-1.0	-42.01	381.68	2.38	-39.63
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794325	0	52	-1.0	-41.44	403.15	5.72	-35.72
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794325	1	52	-1.0	-41.48	403.22	5.72	-35.76
CCC(C)(C)C1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019794326	0	55	-1.0	-39.89	377.05	3.98	-35.91
CCC(C)(C)C1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019794326	1	55	-1.0	-39.90	377.12	3.98	-35.92
CC1=CC2=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CN=C2C=C1	REAL300019794327	0	42	-1.0	-43.05	341.38	2.37	-40.68
CC1=CC2=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CN=C2C=C1	REAL300019794327	1	42	-1.0	-43.05	341.32	2.37	-40.68
CN1C=C(C2=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=NO2)N=N1	REAL300019794328	0	39	-1.0	-46.43	332.87	-0.49	-46.92
CN1C=C(C2=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=NO2)N=N1	REAL300019794328	1	39	-1.0	-46.46	332.93	-0.48	-46.94
O=C(C1COC2COCC21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794329	0	40	-1.0	-40.14	306.59	-2.17	-42.31
O=C(C1COC2COCC21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794329	1	40	-1.0	-40.13	306.66	-2.17	-42.30
O=C(C1CCC2(CC(=O)C2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794330	0	46	-1.0	-43.97	350.93	2.50	-41.47
O=C(C1CCC2(CC(=O)C2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794330	1	46	-1.0	-43.97	350.99	2.51	-41.46
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794331	0	41	-1.0	-47.32	333.07	1.02	-46.30
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794331	1	41	-1.0	-47.34	333.14	1.02	-46.32
CCC(CCC1=CC=CC=C1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794332	0	49	-1.0	-42.44	374.78	4.66	-37.78
CCC(CCC1=CC=CC=C1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794332	1	49	-1.0	-42.48	374.84	4.67	-37.81
COC1(C(F)(F)C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCC1	REAL300019794333	0	44	-1.0	-40.06	334.24	1.66	-38.40
COC1(C(F)(F)C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCC1	REAL300019794333	1	44	-1.0	-40.09	334.30	1.67	-38.42
O=C(CCC1=CC=C2CCOCC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794334	0	48	-1.0	-42.01	377.92	3.22	-38.79
O=C(CCC1=CC=C2CCOCC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794334	1	48	-1.0	-42.01	377.99	3.22	-38.79
O=C(C1CC12CCC(F)(F)CC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794335	0	44	-1.0	-41.06	341.13	2.97	-38.09
O=C(C1CC12CCC(F)(F)CC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794335	1	44	-1.0	-41.02	341.20	2.98	-38.04
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N=C1Br	REAL300019794336	0	36	-1.0	-41.31	312.72	1.41	-39.90
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N=C1Br	REAL300019794336	1	36	-1.0	-41.30	312.65	1.40	-39.90
CN(C)C1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019794337	0	44	-1.0	-41.03	357.58	2.54	-38.49
CN(C)C1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300019794337	1	44	-1.0	-41.01	357.65	2.54	-38.47
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794338	0	38	-1.0	-42.52	330.18	1.19	-41.33
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794338	1	38	-1.0	-42.50	330.11	1.19	-41.31
COC(=O)C1=CSC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794339	0	37	-1.0	-44.54	323.48	0.90	-43.64
COC(=O)C1=CSC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794339	1	37	-1.0	-44.55	323.55	0.90	-43.65
CC(C)(C)C1=CN=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794340	0	45	-1.0	-40.57	350.08	1.85	-38.72
CC(C)(C)C1=CN=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794340	1	45	-1.0	-40.59	350.02	1.84	-38.75
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794341	0	42	-1.0	-39.49	364.23	3.35	-36.14
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794341	1	42	-1.0	-39.45	364.29	3.36	-36.09
N#CC1=CC=C(C2=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)N=CO2)C=C1	REAL300019794342	0	41	-1.0	-46.35	358.84	0.18	-46.17
N#CC1=CC=C(C2=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)N=CO2)C=C1	REAL300019794342	1	41	-1.0	-46.33	358.78	0.17	-46.16
COC1CC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1(C)C	REAL300019794343	0	47	-1.0	-40.44	360.03	1.47	-38.97
COC1CC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1(C)C	REAL300019794343	1	47	-1.0	-40.47	360.10	1.47	-39.00
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019794344	0	44	-1.0	-39.54	363.21	3.42	-36.12
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019794344	1	44	-1.0	-39.53	363.28	3.43	-36.10
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=NN21	REAL300019794345	0	48	-1.0	-50.81	375.38	2.72	-48.09
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=NN21	REAL300019794345	1	48	-1.0	-50.83	375.31	2.72	-48.11
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CCCN1C(=O)CCCC2	REAL300019794346	0	48	-1.0	-48.44	348.97	1.19	-47.25
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CCCN1C(=O)CCCC2	REAL300019794346	1	48	-1.0	-48.46	349.03	1.19	-47.27
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019794347	0	44	-1.0	-42.60	355.21	4.25	-38.35
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019794347	1	44	-1.0	-42.59	355.28	4.25	-38.34
O=C(C1CCC2(CC2(F)F)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794348	0	41	-1.0	-44.82	324.91	2.48	-42.34
O=C(C1CCC2(CC2(F)F)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794348	1	41	-1.0	-44.88	324.97	2.48	-42.40
O=C(C1CCCC2C1C2(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794349	0	41	-1.0	-38.94	320.06	2.34	-36.60
O=C(C1CCCC2C1C2(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794349	1	41	-1.0	-38.93	320.12	2.35	-36.58
C=C1CC2(C1)CC(C(=O)N1CCC(O)(C3=N[N-]N=N3)CC1)C2	REAL300019794350	0	42	-1.0	-40.36	330.94	2.93	-37.43
C=C1CC2(C1)CC(C(=O)N1CCC(O)(C3=NN=N[N-]3)CC1)C2	REAL300019794350	1	42	-1.0	-40.39	331.00	2.94	-37.45
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794351	0	45	-1.0	-45.97	353.48	2.89	-43.08
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794351	1	45	-1.0	-45.99	353.55	2.90	-43.09
O=C(CCC1=CC=CC(Br)=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794352	0	40	-1.0	-41.56	350.26	3.76	-37.80
O=C(CCC1=CC=CC(Br)=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794352	1	40	-1.0	-41.56	350.33	3.76	-37.80
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794353	0	52	-1.0	-38.57	349.46	3.55	-35.02
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794353	1	52	-1.0	-38.57	349.52	3.55	-35.02
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C[C@@H]12	REAL300019794354	0	52	-1.0	-43.71	404.90	0.94	-42.77
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C[C@@H]12	REAL300019794354	1	52	-1.0	-43.70	404.97	0.95	-42.75
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(C(F)F)=NN1C	REAL300019794355	0	40	-1.0	-47.99	335.91	0.49	-47.50
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(C(F)F)=NN1C	REAL300019794355	1	40	-1.0	-47.98	335.97	0.49	-47.49
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794356	0	45	-1.0	-49.65	352.77	0.29	-49.36
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794356	1	45	-1.0	-49.66	352.83	0.29	-49.37
CCC1=CC=C(C(=O)C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL300019794357	0	39	-1.0	-38.59	331.29	2.00	-36.59
CCC1=CC=C(C(=O)C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL300019794357	1	39	-1.0	-38.56	331.36	2.01	-36.55
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794358	0	52	-1.0	-42.66	401.62	0.88	-41.78
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794358	1	52	-1.0	-42.62	401.69	0.89	-41.73
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794359	0	55	-1.0	-48.31	417.90	2.52	-45.79
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794359	1	55	-1.0	-48.33	417.96	2.52	-45.81
O=C(C1=CC(C2CCCC2)=NN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794360	0	44	-1.0	-39.54	341.46	1.21	-38.33
O=C(C1=CC(C2CCCC2)=NN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794360	1	44	-1.0	-39.54	341.52	1.22	-38.32
CC1(C)OC2=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC=C2NC1=O	REAL300019794361	0	46	-1.0	-42.26	368.47	-0.14	-42.40
CC1(C)OC2=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CC=C2NC1=O	REAL300019794361	1	46	-1.0	-42.26	368.54	-0.14	-42.40
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794362	0	42	-1.0	-44.32	336.36	0.44	-43.88
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794362	1	42	-1.0	-44.34	336.42	0.44	-43.90
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C21	REAL300019794363	0	42	-1.0	-45.91	352.10	0.21	-45.70
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C21	REAL300019794363	1	42	-1.0	-45.99	352.16	0.21	-45.78
COC(=O)C1=CC=CC2=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=CC=C12	REAL300019794364	0	46	-1.0	-43.33	371.75	4.02	-39.31
COC(=O)C1=CC=CC2=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=CC=C12	REAL300019794364	1	46	-1.0	-43.33	371.82	4.03	-39.30
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794365	0	41	-1.0	-40.98	330.69	-2.20	-43.18
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794365	1	41	-1.0	-40.97	330.76	-2.20	-43.17
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=NC=C1C(F)F	REAL300019794366	0	39	-1.0	-42.92	322.52	1.81	-41.11
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=NC=C1C(F)F	REAL300019794366	1	39	-1.0	-42.90	322.58	1.81	-41.09
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794367	0	42	-1.0	-47.90	345.07	-0.47	-48.37
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794367	1	42	-1.0	-47.88	345.14	-0.47	-48.35
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794368	0	43	-1.0	-44.11	342.85	-0.77	-44.88
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794368	1	43	-1.0	-44.09	342.79	-0.77	-44.86
O=C(C1CCC2C1C2(F)F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794369	0	38	-1.0	-43.52	299.73	1.74	-41.78
O=C(C1CCC2C1C2(F)F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794369	1	38	-1.0	-43.53	299.79	1.75	-41.78
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794370	0	38	-1.0	-45.30	330.52	1.22	-44.08
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794370	1	38	-1.0	-45.31	330.45	1.22	-44.09
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794371	0	54	-1.0	-41.23	420.37	-0.83	-42.06
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794371	1	54	-1.0	-41.25	420.43	-0.83	-42.08
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019794372	0	57	-1.0	-46.91	426.21	2.80	-44.11
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019794372	1	57	-1.0	-46.88	426.27	2.80	-44.08
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019794373	0	54	-1.0	-42.53	408.10	0.50	-42.03
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019794373	1	54	-1.0	-42.52	408.16	0.50	-42.02
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019794374	0	55	-1.0	-43.15	425.78	1.83	-41.32
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019794374	1	55	-1.0	-43.16	425.85	1.84	-41.32
COC1=CC=CC=C1OC(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794375	0	45	-1.0	-47.79	353.96	2.29	-45.50
COC1=CC=CC=C1OC(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794375	1	45	-1.0	-47.81	354.02	2.30	-45.51
CC1=C(Cl)C=NN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794376	0	37	-1.0	-46.30	320.31	0.62	-45.68
CC1=C(Cl)C=NN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794376	1	37	-1.0	-46.32	320.37	0.63	-45.69
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794377	0	48	-1.0	-49.24	377.78	0.27	-48.97
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794377	1	48	-1.0	-49.19	377.84	0.27	-48.92
CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1S(=O)(=O)N(C)C	REAL300019794378	0	48	-1.0	-49.70	379.27	-0.33	-50.03
CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1S(=O)(=O)N(C)C	REAL300019794378	1	48	-1.0	-49.71	379.33	-0.32	-50.03
CCC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)N2C=C(C)SC2=N1	REAL300019794379	0	43	-1.0	-42.78	364.81	3.18	-39.60
CCC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)N2C=C(C)SC2=N1	REAL300019794379	1	43	-1.0	-42.79	364.87	3.18	-39.61
O=C(C1CCC(C2CCCO2)O1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794380	0	46	-1.0	-46.14	351.41	1.13	-45.01
O=C(C1CCC(C2CCCO2)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794380	1	46	-1.0	-46.17	351.47	1.13	-45.04
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794381	0	55	-1.0	-46.73	411.53	2.82	-43.91
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794381	1	55	-1.0	-46.78	411.59	2.82	-43.96
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794382	0	37	-1.0	-44.10	333.37	2.72	-41.38
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794382	1	37	-1.0	-44.11	333.43	2.72	-41.39
CC1=CC(F)=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300019794383	0	39	-1.0	-41.62	328.49	2.54	-39.08
CC1=CC(F)=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300019794383	1	39	-1.0	-41.64	328.55	2.54	-39.10
CN1N=NC2=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300019794384	0	39	-1.0	-57.43	320.52	-0.16	-57.59
CN1N=NC2=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300019794384	1	39	-1.0	-57.42	320.45	-0.16	-57.58
O=C(C1=CN=C2OCCCC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794385	0	41	-1.0	-44.56	326.68	-1.16	-45.72
O=C(C1=CN=C2OCCCC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794385	1	41	-1.0	-44.61	326.61	-1.17	-45.78
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794386	0	39	-1.0	-39.98	329.25	0.73	-39.25
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794386	1	39	-1.0	-39.99	329.31	0.73	-39.26
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C(F)(F)CCC1=CC=CC=C1	REAL300019794387	0	43	-1.0	-37.93	353.61	3.89	-34.04
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C(F)(F)CCC1=CC=CC=C1	REAL300019794387	1	43	-1.0	-37.91	353.67	3.90	-34.01
CC1=CC2=C(C=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)S2)S1	REAL300019794388	0	37	-1.0	-39.94	327.51	2.60	-37.34
CC1=CC2=C(C=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)S2)S1	REAL300019794388	1	37	-1.0	-39.97	327.57	2.61	-37.36
O=C(CC12CCC(CC1)C2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794389	0	44	-1.0	-40.66	326.37	2.90	-37.76
O=C(CC12CCC(CC1)C2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794389	1	44	-1.0	-40.65	326.43	2.90	-37.75
O=C(C1CC=CC2=CC=CC=C21)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794390	0	42	-1.0	-41.24	332.57	3.64	-37.60
O=C(C1CC=CC2=CC=CC=C21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794390	1	42	-1.0	-41.23	332.63	3.64	-37.59
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794391	0	45	-1.0	-46.57	374.01	-2.15	-48.72
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794391	1	45	-1.0	-46.60	374.07	-2.14	-48.74
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794392	0	40	-1.0	-39.53	353.49	3.66	-35.87
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794392	1	40	-1.0	-39.53	353.55	3.67	-35.86
O=C(C1=CN2C=NN=C2C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794393	0	35	-1.0	-42.63	295.24	1.54	-41.09
O=C(C1=CN2C=NN=C2C=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794393	1	35	-1.0	-42.61	295.17	1.53	-41.08
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794394	0	47	-1.0	-41.63	389.42	5.24	-36.39
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794394	1	47	-1.0	-41.63	389.49	5.25	-36.38
CN1N=CC(C#N)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794395	0	35	-1.0	-45.34	306.06	-0.60	-45.94
CN1N=CC(C#N)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794395	1	35	-1.0	-45.32	305.99	-0.60	-45.92
CON(CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300019794396	0	51	-1.0	-41.65	401.75	1.70	-39.95
CON(CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300019794396	1	51	-1.0	-41.63	401.81	1.71	-39.92
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794397	0	36	-1.0	-41.21	319.53	-0.84	-42.05
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794397	1	36	-1.0	-41.25	319.59	-0.83	-42.08
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794398	0	47	-1.0	-40.05	375.80	0.11	-39.94
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794398	1	47	-1.0	-40.11	375.86	0.12	-39.99
O=C(C1=CC=CC2=NC=CC=C12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794399	0	39	-1.0	-43.91	318.09	1.67	-42.24
O=C(C1=CC=CC2=NC=CC=C12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794399	1	39	-1.0	-43.87	318.03	1.66	-42.21
COC(=O)C1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C(F)C=N1	REAL300019794400	0	39	-1.0	-41.42	335.34	0.25	-41.17
COC(=O)C1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C(F)C=N1	REAL300019794400	1	39	-1.0	-41.43	335.27	0.25	-41.18
CC1=CC2=C(OCC2)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019794401	0	42	-1.0	-46.96	337.54	1.91	-45.05
CC1=CC2=C(OCC2)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019794401	1	42	-1.0	-46.92	337.60	1.91	-45.01
O=C(C1=C2SC=CC2=CN=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794402	0	36	-1.0	-42.95	310.91	0.85	-42.10
O=C(C1=C2SC=CC2=CN=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794402	1	36	-1.0	-42.94	310.85	0.84	-42.10
CC(C)C(C)C(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794403	0	48	-1.0	-39.85	348.05	2.83	-37.02
CC(C)C(C)C(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794403	1	48	-1.0	-39.86	348.11	2.84	-37.02
COC1CC2(C1)CC(C(=O)N1CCC(O)(C3=N[N-]N=N3)CC1)C2	REAL300019794404	0	45	-1.0	-41.14	350.89	1.36	-39.78
COC1CC2(C1)CC(C(=O)N1CCC(O)(C3=NN=N[N-]3)CC1)C2	REAL300019794404	1	45	-1.0	-41.09	350.95	1.36	-39.73
CC(C)OCC1=CC=CC=C1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794405	0	50	-1.0	-42.73	394.18	3.81	-38.92
CC(C)OCC1=CC=CC=C1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794405	1	50	-1.0	-42.74	394.24	3.81	-38.93
CC1(C)CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CO1	REAL300019794406	0	44	-1.0	-39.85	329.67	0.54	-39.31
CC1(C)CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CO1	REAL300019794406	1	44	-1.0	-39.85	329.73	0.54	-39.31
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794407	0	41	-1.0	-41.98	358.61	4.39	-37.59
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794407	1	41	-1.0	-42.00	358.67	4.40	-37.60
O=C(CC1CCCNC(=O)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794408	0	44	-1.0	-52.86	335.02	-0.82	-53.68
O=C(CC1CCCNC(=O)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794408	1	44	-1.0	-52.90	335.08	-0.82	-53.72
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1C(F)(F)F	REAL300019794409	0	37	-1.0	-43.28	300.44	1.40	-41.88
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1C(F)(F)F	REAL300019794409	1	37	-1.0	-43.31	300.50	1.41	-41.90
O=C(C1CCCCC12CCC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794410	0	47	-1.0	-39.97	332.70	3.19	-36.78
O=C(C1CCCCC12CCC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794410	1	47	-1.0	-39.96	332.76	3.20	-36.76
CC12CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)(CO1)CCC2	REAL300019794411	0	45	-1.0	-40.82	326.57	0.55	-40.27
CC12CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)(CO1)CCC2	REAL300019794411	1	45	-1.0	-40.83	326.64	0.55	-40.28
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CCCC1C2(F)F	REAL300019794412	0	38	-1.0	-41.38	305.99	1.72	-39.66
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CCCC1C2(F)F	REAL300019794412	1	38	-1.0	-41.39	306.05	1.72	-39.67
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794413	0	50	-1.0	-39.73	378.26	5.01	-34.72
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794413	1	50	-1.0	-39.73	378.33	5.02	-34.71
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794414	0	37	-1.0	-41.59	322.58	2.17	-39.42
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794414	1	37	-1.0	-41.55	322.52	2.16	-39.39
CN1C=NC2=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300019794415	0	40	-1.0	-53.90	327.69	2.65	-51.25
CN1C=NC2=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300019794415	1	40	-1.0	-53.92	327.63	2.64	-51.28
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CCCCC1C2(F)F	REAL300019794416	0	41	-1.0	-40.98	317.89	2.13	-38.85
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CCCCC1C2(F)F	REAL300019794416	1	41	-1.0	-40.96	317.95	2.14	-38.82
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794417	0	44	-1.0	-40.02	366.35	2.58	-37.44
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794417	1	44	-1.0	-40.05	366.29	2.57	-37.48
O=C(C1=C(C2CC2)C=CO1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794418	0	38	-1.0	-42.23	307.50	1.81	-40.42
O=C(C1=C(C2CC2)C=CO1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794418	1	38	-1.0	-42.23	307.56	1.81	-40.42
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794419	0	40	-1.0	-43.93	333.17	-0.01	-43.94
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794419	1	40	-1.0	-43.92	333.23	0.00	-43.92
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794420	0	44	-1.0	-51.62	363.42	-2.36	-53.98
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794420	1	44	-1.0	-51.56	363.35	-2.37	-53.93
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794421	0	34	-1.0	-36.18	318.29	-2.65	-38.83
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794421	1	34	-1.0	-36.17	318.22	-2.66	-38.83
O=C(C1=NC2=CC=CNC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794422	0	37	-1.0	-58.44	305.00	0.26	-58.18
O=C(C1=NC2=CC=CNC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794422	1	37	-1.0	-58.44	305.07	0.27	-58.17
COC1=C(Cl)C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C2=NC=CC=C21	REAL300019794423	0	43	-1.0	-46.34	369.45	1.96	-44.38
COC1=C(Cl)C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C2=NC=CC=C21	REAL300019794423	1	43	-1.0	-46.30	369.39	1.95	-44.35
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794424	0	49	-1.0	-46.87	394.77	1.62	-45.25
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794424	1	49	-1.0	-46.88	394.71	1.62	-45.26
O=C(C1C2C3CC1C(=O)C32)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794425	0	38	-1.0	-51.31	302.54	1.36	-49.95
O=C(C1C2C3CC1C(=O)C32)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794425	1	38	-1.0	-51.35	302.61	1.36	-49.99
O=C(C1=CC=CN2N=NC=C12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794426	0	36	-1.0	-50.27	305.23	0.01	-50.26
O=C(C1=CC=CN2N=NC=C12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794426	1	36	-1.0	-50.21	305.17	0.01	-50.20
CCC(CC)(NC(=O)CC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300019799202	0	38	-1.0	-35.75	311.58	5.33	-30.42
CCC(CC)(NC(=O)CC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300019799202	1	38	-1.0	-35.81	311.64	5.33	-30.48
CCC(OC1=CC=CC(C)=C1)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799203	0	48	-1.0	-36.14	362.85	6.69	-29.45
CCC(OC1=CC=CC(C)=C1)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799203	1	48	-1.0	-36.15	362.91	6.70	-29.45
CCC(CC)(NC(=O)C=C(C)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799204	0	45	-1.0	-35.33	369.44	7.46	-27.87
CCC(CC)(NC(=O)C=C(C)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799204	1	45	-1.0	-35.34	369.51	7.47	-27.87
CCC(CC)(NC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=N[N-]N=N1	REAL300019799205	0	47	-1.0	-46.28	364.32	2.45	-43.83
CCC(CC)(NC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=NN=N[N-]1	REAL300019799205	1	47	-1.0	-46.28	364.39	2.46	-43.82
CCC1=CC=C(C(=O)N2CCC(C(=O)NC(CC)(CC)C3=N[N-]N=N3)CC2)O1	REAL300019799206	0	55	-1.0	-38.62	417.02	6.06	-32.56
CCC1=CC=C(C(=O)N2CCC(C(=O)NC(CC)(CC)C3=NN=N[N-]3)CC2)O1	REAL300019799206	1	55	-1.0	-38.66	417.09	6.08	-32.58
CCC(CC)(NC(=O)C1SCCC2=C1C=CS2)C1=N[N-]N=N1	REAL300019799207	0	40	-1.0	-36.81	330.18	5.56	-31.25
CCC(CC)(NC(=O)C1SCCC2=C1C=CS2)C1=NN=N[N-]1	REAL300019799207	1	40	-1.0	-36.81	330.25	5.58	-31.23
CCC(CC)(NC(=O)CC(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799208	0	51	-1.0	-40.01	386.35	3.16	-36.85
CCC(CC)(NC(=O)CC(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799208	1	51	-1.0	-40.02	386.42	3.18	-36.84
CCC(CC)(NC(=O)C1=CC(Br)=CN1C(C)C)C1=N[N-]N=N1	REAL300019799209	0	42	-1.0	-35.10	342.37	6.04	-29.06
CCC(CC)(NC(=O)C1=CC(Br)=CN1C(C)C)C1=NN=N[N-]1	REAL300019799209	1	42	-1.0	-35.16	342.44	6.05	-29.11
CCC(CC)(NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799210	0	55	-1.0	-39.99	415.17	6.63	-33.36
CCC(CC)(NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799210	1	55	-1.0	-40.01	415.23	6.64	-33.37
CCC(CC)(NC(=O)C1=CN(CC(N)=O)N=N1)C1=NN=N[N-]1	REAL300019799211	0	38	-1.0	-52.92	314.07	-2.17	-55.09
CCC(CC)(NC(=O)C1=CN(CC(N)=O)N=N1)C1=N[N-]N=N1	REAL300019799211	1	38	-1.0	-52.94	314.00	-2.19	-55.13
CCC(CC)(NC(=O)CC(C)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019799212	0	44	-1.0	-35.70	353.01	6.87	-28.83
CCC(CC)(NC(=O)CC(C)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019799212	1	44	-1.0	-35.69	353.08	6.89	-28.80
CCC1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300019799213	0	47	-1.0	-48.75	379.54	6.67	-42.08
CCC1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300019799213	1	47	-1.0	-48.75	379.61	6.68	-42.07
CCC(CC)(NC(=O)C1=CN=C(C2=CC=C(OC)C=C2)S1)C1=NN=N[N-]1	REAL300019799214	0	45	-1.0	-35.85	371.33	4.77	-31.08
CCC(CC)(NC(=O)C1=CN=C(C2=CC=C(OC)C=C2)S1)C1=N[N-]N=N1	REAL300019799214	1	45	-1.0	-35.85	371.26	4.77	-31.08
CCC(CC)(NC(=O)C1=CN(CC2=CC=CS2)N=N1)C1=NN=N[N-]1	REAL300019799215	0	41	-1.0	-41.50	348.70	3.74	-37.76
CCC(CC)(NC(=O)C1=CN(CC2=CC=CS2)N=N1)C1=N[N-]N=N1	REAL300019799215	1	41	-1.0	-41.52	348.63	3.72	-37.80
CCC(CC)(NC(=O)C1CCC2=CNN=C2C1)C1=N[N-]N=N1	REAL300019799216	0	42	-1.0	-39.07	319.81	3.18	-35.89
CCC(CC)(NC(=O)C1CCC2=CNN=C2C1)C1=NN=N[N-]1	REAL300019799216	1	42	-1.0	-39.05	319.88	3.20	-35.85
CCC(CC)(NC(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=N[N-]N=N1	REAL300019799217	0	51	-1.0	-37.53	394.46	5.56	-31.97
CCC(CC)(NC(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=NN=N[N-]1	REAL300019799217	1	51	-1.0	-37.55	394.52	5.56	-31.99
CCC(CC)(NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019799218	0	51	-1.0	-36.21	368.40	7.86	-28.35
CCC(CC)(NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019799218	1	51	-1.0	-36.20	368.46	7.88	-28.32
CCC(CC)(NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019799219	0	50	-1.0	-40.57	399.05	4.27	-36.30
CCC(CC)(NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019799219	1	50	-1.0	-40.58	399.11	4.28	-36.30
C#CCOC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019799220	0	41	-1.0	-36.88	332.90	5.22	-31.66
C#CCOC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019799220	1	41	-1.0	-36.90	332.97	5.24	-31.66
CCC(CC)(NC(=O)C1CC1C1CCCCC1)C1=N[N-]N=N1	REAL300019799221	0	48	-1.0	-34.44	341.61	6.59	-27.85
CCC(CC)(NC(=O)C1CC1C1CCCCC1)C1=NN=N[N-]1	REAL300019799221	1	48	-1.0	-34.44	341.67	6.60	-27.84
CCC(CC)(NC(=O)CCNC(=O)CC(C)C)C1=N[N-]N=N1	REAL300019799222	0	47	-1.0	-41.32	359.81	2.61	-38.71
CCC(CC)(NC(=O)CCNC(=O)CC(C)C)C1=NN=N[N-]1	REAL300019799222	1	47	-1.0	-41.27	359.87	2.63	-38.64
CCC(CC)(NC(=O)C(C)CSC(F)(F)F)C1=N[N-]N=N1	REAL300019799223	0	38	-1.0	-32.73	322.36	4.55	-28.18
CCC(CC)(NC(=O)C(C)CSC(F)(F)F)C1=NN=N[N-]1	REAL300019799223	1	38	-1.0	-32.70	322.43	4.56	-28.14
CCC(CC)(NC(=O)C1SCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019799224	0	43	-1.0	-38.15	337.18	6.34	-31.81
CCC(CC)(NC(=O)C1SCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019799224	1	43	-1.0	-38.14	337.24	6.35	-31.79
CCC(CC)(NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799225	0	47	-1.0	-39.90	373.36	8.14	-31.76
CCC(CC)(NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799225	1	47	-1.0	-39.91	373.42	8.15	-31.76
CCC(CC)(NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL300019799226	0	45	-1.0	-42.26	371.67	4.21	-38.05
CCC(CC)(NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL300019799226	1	45	-1.0	-42.26	371.74	4.22	-38.04
CCC(CC)(NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019799227	0	52	-1.0	-39.87	395.58	4.51	-35.36
CCC(CC)(NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019799227	1	52	-1.0	-39.92	395.64	4.52	-35.40
CCC(CC)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019799228	0	54	0.0	-59.06	401.57	8.06	-51.00
CCC(CC)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019799228	1	54	0.0	-58.86	400.59	8.08	-50.78
CCC(CC)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019799228	1	54	0.0	-59.09	401.64	8.07	-51.02
CCC(CC)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019799228	1	54	0.0	-58.93	400.66	8.10	-50.83
CCC(CC)(NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019799229	0	47	-1.0	-37.42	368.16	7.16	-30.26
CCC(CC)(NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019799229	1	47	-1.0	-37.45	368.23	7.18	-30.27
CCC(CC)(NC(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=NN=N[N-]1	REAL300019799230	0	55	-1.0	-37.66	426.35	6.47	-31.19
CCC(CC)(NC(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=N[N-]N=N1	REAL300019799230	1	55	-1.0	-37.65	426.29	6.46	-31.19
CCC(CC)(NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL300019799231	0	45	-1.0	-41.51	355.20	5.87	-35.64
CCC(CC)(NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL300019799231	1	45	-1.0	-41.50	355.14	5.86	-35.64
CCC(CC)(NC(=O)C1=CC2=C(S1)N(C)N=C2C(C)C)C1=N[N-]N=N1	REAL300019799232	0	47	-1.0	-36.50	381.78	5.44	-31.06
CCC(CC)(NC(=O)C1=CC2=C(S1)N(C)N=C2C(C)C)C1=NN=N[N-]1	REAL300019799232	1	47	-1.0	-36.52	381.84	5.45	-31.07
CCC(CC)(NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL300019799233	0	48	-1.0	-38.26	375.18	6.64	-31.62
CCC(CC)(NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL300019799233	1	48	-1.0	-38.27	375.24	6.65	-31.62
CCC(CC)(NC(=O)C1=CC=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL300019799234	0	40	-1.0	-38.31	311.77	4.92	-33.39
CCC(CC)(NC(=O)C1=CC=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL300019799234	1	40	-1.0	-38.29	311.70	4.91	-33.38
CCOC(C)C1=NC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)S1	REAL300019799235	0	44	-1.0	-37.12	359.15	3.14	-33.98
CCOC(C)C1=NC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)S1	REAL300019799235	1	44	-1.0	-37.10	359.21	3.14	-33.96
CCC(CC)(NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799236	0	55	-1.0	-38.04	404.72	5.07	-32.97
CCC(CC)(NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799236	1	55	-1.0	-37.99	404.79	5.07	-32.92
CCC(CC)(NC(=O)C1=CC=C(C)C(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019799237	0	55	-1.0	-42.07	415.60	5.76	-36.31
CCC(CC)(NC(=O)C1=CC=C(C)C(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019799237	1	55	-1.0	-42.09	415.67	5.76	-36.33
CCC(CC)(NC(=O)C1=CC=C(OCCOC)N=C1)C1=NN=N[N-]1	REAL300019799238	0	45	-1.0	-36.51	358.51	1.39	-35.12
CCC(CC)(NC(=O)C1=CC=C(OCCOC)N=C1)C1=N[N-]N=N1	REAL300019799238	1	45	-1.0	-36.52	358.45	1.37	-35.15
CCC(CC)(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=N[N-]N=N1	REAL300019799239	0	45	-1.0	-34.87	366.44	6.96	-27.91
CCC(CC)(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=NN=N[N-]1	REAL300019799239	1	45	-1.0	-34.82	366.51	6.98	-27.84
CCCCCCCCCCCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799240	0	64	-1.0	-34.14	476.97	10.71	-23.43
CCCCCCCCCCCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799240	1	64	-1.0	-34.17	477.03	10.73	-23.44
CCC(CC)(NC(=O)C1=CC=CC(Br)=C1C)C1=N[N-]N=N1	REAL300019799241	0	38	-1.0	-33.63	308.99	5.75	-27.88
CCC(CC)(NC(=O)C1=CC=CC(Br)=C1C)C1=NN=N[N-]1	REAL300019799241	1	38	-1.0	-33.66	309.03	5.75	-27.91
CCC(CC)(NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=N[N-]N=N1	REAL300019799242	0	52	-1.0	-38.30	407.69	5.56	-32.74
CCC(CC)(NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=NN=N[N-]1	REAL300019799242	1	52	-1.0	-38.29	407.76	5.57	-32.72
CCC(CC)(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300019799243	0	48	-1.0	-40.04	384.64	6.03	-34.01
CCC(CC)(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300019799243	1	48	-1.0	-40.04	384.57	6.02	-34.02
CCC(CC)(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL300019799244	0	52	-1.0	-38.51	407.69	3.20	-35.31
CCC(CC)(NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL300019799244	1	52	-1.0	-38.46	407.76	3.20	-35.26
CCC(CC)(NC(=O)C(C)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300019799245	0	38	-1.0	-34.53	330.07	5.59	-28.94
CCC(CC)(NC(=O)C(C)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300019799245	1	38	-1.0	-34.55	330.14	5.60	-28.95
CCC(CC)(NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300019799246	0	46	-1.0	-37.50	368.59	2.87	-34.63
CCC(CC)(NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300019799246	1	46	-1.0	-37.50	368.65	2.89	-34.61
CCC(CC)(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1C)C1=N[N-]N=N1	REAL300019799247	0	50	-1.0	-50.53	388.27	3.63	-46.90
CCC(CC)(NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1C)C1=NN=N[N-]1	REAL300019799247	1	50	-1.0	-50.50	388.33	3.65	-46.85
CCC(CC)(NC(=O)C(C)CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799248	0	48	-1.0	-37.08	368.04	6.05	-31.03
CCC(CC)(NC(=O)C(C)CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799248	1	48	-1.0	-37.07	368.11	6.06	-31.01
CCC(CC)(NC(=O)C1=CC=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL300019799249	0	38	-1.0	-34.30	314.51	5.74	-28.56
CCC(CC)(NC(=O)C1=CC=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL300019799249	1	38	-1.0	-34.31	314.58	5.75	-28.56
CCC(CC)(NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=NN=N[N-]1	REAL300019799250	0	43	-1.0	-38.39	338.49	1.90	-36.49
CCC(CC)(NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=N[N-]N=N1	REAL300019799250	1	43	-1.0	-38.42	338.43	1.88	-36.54
CCC(CC)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019799251	0	54	0.0	-53.54	381.56	6.74	-46.80
CCC(CC)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019799251	1	54	0.0	-53.15	382.32	6.76	-46.39
CCC(CC)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019799251	1	54	0.0	-53.54	381.49	6.73	-46.81
CCC(CC)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019799251	1	54	0.0	-53.15	382.25	6.74	-46.41
CCC(CC)(NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=N[N-]N=N1	REAL300019799252	0	38	-1.0	-37.33	317.49	5.61	-31.72
CCC(CC)(NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=NN=N[N-]1	REAL300019799252	1	38	-1.0	-37.28	317.56	5.61	-31.67
CCC(CC)(NC(=O)CN(C)C1=CC=C(C(F)(F)F)C=C1C=O)C1=N[N-]N=N1	REAL300019799253	0	48	-1.0	-36.93	391.06	5.30	-31.63
CCC(CC)(NC(=O)CN(C)C1=CC=C(C(F)(F)F)C=C1C=O)C1=NN=N[N-]1	REAL300019799253	1	48	-1.0	-36.94	391.13	5.31	-31.63
CCC(CC)(NC(=O)C1=CC(C2CC2)=NC2=CC=C(C)C=C21)C1=N[N-]N=N1	REAL300019799254	0	50	-1.0	-36.02	383.06	7.51	-28.51
CCC(CC)(NC(=O)C1=CC(C2CC2)=NC2=CC=C(C)C=C21)C1=NN=N[N-]1	REAL300019799254	1	50	-1.0	-36.06	383.12	7.52	-28.54
CCC(CC)(NC(=O)C1=CC(Br)=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300019799255	0	45	-1.0	-34.74	366.39	5.91	-28.83
CCC(CC)(NC(=O)C1=CC(Br)=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300019799255	1	45	-1.0	-34.73	366.46	5.93	-28.80
CCC(CC)(NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019799256	0	53	-1.0	-46.70	409.37	3.90	-42.80
CCC(CC)(NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019799256	1	53	-1.0	-46.67	409.43	3.92	-42.75
CCC(CC)(NC(=O)C1CCN(CC2=NC=CN2C)CC1)C1=N[N-]N=N1	REAL300019799257	0	53	-1.0	-40.78	391.22	4.06	-36.72
CCC(CC)(NC(=O)C1CCN(CC2=NC=CN2C)CC1)C1=NN=N[N-]1	REAL300019799257	1	53	-1.0	-40.78	391.29	4.07	-36.71
CCC(CC)(NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=N[N-]N=N1	REAL300019799258	0	48	-1.0	-39.14	383.13	6.66	-32.48
CCC(CC)(NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=NN=N[N-]1	REAL300019799258	1	48	-1.0	-39.13	383.20	6.68	-32.45
CCC(CC)(NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300019799259	0	55	-1.0	-36.89	407.78	4.11	-32.78
CCC(CC)(NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300019799259	1	55	-1.0	-36.89	407.84	4.11	-32.78
CCC(CC)(NC(=O)CC1(CS(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019799260	0	44	-1.0	-42.57	349.37	1.82	-40.75
CCC(CC)(NC(=O)CC1(CS(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019799260	1	44	-1.0	-42.56	349.44	1.81	-40.75
CCC(CC)(NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799261	0	54	-1.0	-38.86	400.18	5.05	-33.81
CCC(CC)(NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799261	1	54	-1.0	-38.82	400.25	5.07	-33.75
CCC(CC)(NC(=O)CNS(=O)(=O)CCOC(C)C)C1=N[N-]N=N1	REAL300019799262	0	49	-1.0	-41.37	394.24	-0.70	-42.07
CCC(CC)(NC(=O)CNS(=O)(=O)CCOC(C)C)C1=NN=N[N-]1	REAL300019799262	1	49	-1.0	-41.39	394.31	-0.69	-42.08
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300019799263	0	45	-1.0	-37.25	378.66	5.22	-32.03
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300019799263	1	45	-1.0	-37.23	378.59	5.21	-32.02
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=N[N-]N=N1	REAL300019799264	0	48	-1.0	-48.69	376.65	5.90	-42.79
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=NN=N[N-]1	REAL300019799264	1	48	-1.0	-48.67	376.70	5.90	-42.77
CCC(CC)(NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=NN=N[N-]1	REAL300019799265	0	38	-1.0	-44.01	312.15	4.91	-39.10
CCC(CC)(NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=N[N-]N=N1	REAL300019799265	1	38	-1.0	-44.01	312.08	4.90	-39.11
CCC(CC)(NC(=O)CN1C=C(C(=O)OC)N=N1)C1=NN=N[N-]1	REAL300019799266	0	40	-1.0	-43.31	332.53	1.72	-41.59
CCC(CC)(NC(=O)CN1C=C(C(=O)OC)N=N1)C1=N[N-]N=N1	REAL300019799266	1	40	-1.0	-43.31	332.46	1.71	-41.60
CCC(CC)(NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=N[N-]N=N1	REAL300019799267	0	48	-1.0	-37.91	363.01	2.16	-35.75
CCC(CC)(NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=NN=N[N-]1	REAL300019799267	1	48	-1.0	-37.91	363.08	2.17	-35.74
CCC(CC)(NC(=O)CSC1=N[N-]C(=S)S1)C1=N[N-]N=N1	REAL300019799268	0	34	-2.0	-75.21	321.85	2.32	-72.89
CCC(CC)(NC(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL300019799268	1	34	-2.0	-75.26	321.92	2.33	-72.93
CCC(CC)(NC(=O)CSC1=NNC(=S)S1)C1=N[N-]N=N1	REAL300019799268	1	35	-1.0	-36.16	325.27	2.46	-33.70
CCC(CC)(NC(=O)CSC1=NNC(=S)S1)C1=NN=N[N-]1	REAL300019799268	1	35	-1.0	-36.16	325.33	2.48	-33.68
CCC(CC)(NC(=O)CC1=COC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL300019799269	0	41	-1.0	-37.31	334.72	5.53	-31.78
CCC(CC)(NC(=O)CC1=COC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL300019799269	1	41	-1.0	-37.32	334.79	5.55	-31.77
CCC(CC)(NC(=O)C1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL300019799270	0	34	-1.0	-34.26	292.37	3.18	-31.08
CCC(CC)(NC(=O)C1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL300019799270	1	34	-1.0	-34.26	292.30	3.17	-31.09
CCC(CC)(NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019799271	0	52	-1.0	-38.09	395.96	4.61	-33.48
CCC(CC)(NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019799271	1	52	-1.0	-38.09	396.02	4.62	-33.47
CCC(CC)(NC(=O)C(C)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300019799272	0	38	-1.0	-34.50	325.44	5.48	-29.02
CCC(CC)(NC(=O)C(C)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300019799272	1	38	-1.0	-34.53	325.50	5.49	-29.04
CCC(CC)(NC(=O)CCCC1=CSC(C)=N1)C1=N[N-]N=N1	REAL300019799273	0	43	-1.0	-38.92	349.64	4.42	-34.50
CCC(CC)(NC(=O)CCCC1=CSC(C)=N1)C1=NN=N[N-]1	REAL300019799273	1	43	-1.0	-38.92	349.71	4.44	-34.48
CCC(CC)(NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=N[N-]N=N1	REAL300019799274	0	55	-1.0	-35.44	400.12	7.06	-28.38
CCC(CC)(NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=NN=N[N-]1	REAL300019799274	1	55	-1.0	-35.43	400.17	7.06	-28.37
CCC(CC)(NC(=O)CC=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019799275	0	42	-1.0	-36.13	337.95	6.50	-29.63
CCC(CC)(NC(=O)CC=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019799275	1	42	-1.0	-36.08	338.01	6.52	-29.56
CCC(CC)(NC(=O)C1=CC(C2CC2)=NC2=C(C)C=C(C)C=C12)C1=N[N-]N=N1	REAL300019799276	0	53	-1.0	-36.28	403.17	8.33	-27.95
CCC(CC)(NC(=O)C1=CC(C2CC2)=NC2=C(C)C=C(C)C=C12)C1=NN=N[N-]1	REAL300019799276	1	53	-1.0	-36.28	403.24	8.35	-27.93
CCC(CC)(NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=NN=N[N-]1	REAL300019799277	0	43	-1.0	-35.73	339.51	4.14	-31.59
CCC(CC)(NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=N[N-]N=N1	REAL300019799277	1	43	-1.0	-35.75	339.45	4.13	-31.62
CCC(CC)(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL300019799278	0	43	-1.0	-39.25	350.13	0.40	-38.85
CCC(CC)(NC(=O)C1=CC=C(F)C(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL300019799278	1	43	-1.0	-39.21	350.19	0.41	-38.80
CCC(CC)(NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019799279	0	49	-1.0	-35.51	381.87	6.38	-29.13
CCC(CC)(NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019799279	1	49	-1.0	-35.56	381.93	6.39	-29.17
CCC(CC)(NC(=O)C1=CN2N=NN=C2C=C1)C1=NN=N[N-]1	REAL300019799280	0	36	-1.0	-35.22	292.36	2.58	-32.64
CCC(CC)(NC(=O)C1=CN2N=NN=C2C=C1)C1=N[N-]N=N1	REAL300019799280	1	36	-1.0	-35.19	292.29	2.56	-32.63
CCC(CC)(NC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799281	0	57	-1.0	-36.85	433.78	10.77	-26.08
CCC(CC)(NC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799281	1	57	-1.0	-36.85	433.85	10.77	-26.08
CCC(OC1=CC=CC=C1F)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799282	0	45	-1.0	-39.27	348.06	6.10	-33.17
CCC(OC1=CC=CC=C1F)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799282	1	45	-1.0	-39.28	348.12	6.11	-33.17
CCC(CC)(NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019799283	0	41	-1.0	-35.44	348.35	6.64	-28.80
CCC(CC)(NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019799283	1	41	-1.0	-35.42	348.42	6.65	-28.77
CCC(CC)(NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019799284	0	42	-1.0	-36.90	333.98	6.53	-30.37
CCC(CC)(NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019799284	1	42	-1.0	-36.86	333.92	6.52	-30.34
CCC(CC)(NC(=O)CCCC1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL300019799285	0	47	-1.0	-36.24	373.08	7.10	-29.14
CCC(CC)(NC(=O)CCCC1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL300019799285	1	47	-1.0	-36.22	373.15	7.12	-29.10
CCC(CC)(NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019799286	0	46	-1.0	-39.80	376.25	1.21	-38.59
CCC(CC)(NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019799286	1	46	-1.0	-39.85	376.32	1.23	-38.62
CCC(CC)(NC(=O)C(C)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019799287	0	47	-1.0	-36.65	362.31	7.91	-28.74
CCC(CC)(NC(=O)C(C)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019799287	1	47	-1.0	-36.64	362.38	7.92	-28.72
CCC(CC)(NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=N[N-]N=N1	REAL300019799288	0	38	-1.0	-39.08	323.03	5.48	-33.60
CCC(CC)(NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=NN=N[N-]1	REAL300019799288	1	38	-1.0	-39.12	323.09	5.48	-33.64
CCC(C)OC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019799289	0	48	-1.0	-35.77	365.79	6.11	-29.66
CCC(C)OC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019799289	1	48	-1.0	-35.81	365.86	6.12	-29.69
CCC(CC)(NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=NN=N[N-]1	REAL300019799290	0	40	-1.0	-37.10	319.60	3.71	-33.39
CCC(CC)(NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=N[N-]N=N1	REAL300019799290	1	40	-1.0	-37.10	319.54	3.71	-33.39
CCC(CC)(NC(=O)C1CSCCS1)C1=N[N-]N=N1	REAL300019799291	0	37	-1.0	-34.77	304.25	4.17	-30.60
CCC(CC)(NC(=O)C1CSCCS1)C1=NN=N[N-]1	REAL300019799291	1	37	-1.0	-34.77	304.32	4.19	-30.58
CCC(CC)(NC(=O)C1=CC=NC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL300019799292	0	40	-1.0	-36.59	326.07	3.41	-33.18
CCC(CC)(NC(=O)C1=CC=NC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL300019799292	1	40	-1.0	-36.55	326.00	3.41	-33.14
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=N[N-]N=N1	REAL300019799293	0	45	-2.0	-98.11	370.97	4.80	-93.31
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=NN=N[N-]1	REAL300019799293	1	45	-2.0	-98.11	371.03	4.80	-93.31
CCC(CC)(NC(=O)CCOC1CCOCC1)C1=N[N-]N=N1	REAL300019799294	0	46	-1.0	-35.06	349.11	2.45	-32.61
CCC(CC)(NC(=O)CCOC1CCOCC1)C1=NN=N[N-]1	REAL300019799294	1	46	-1.0	-35.06	349.17	2.47	-32.59
CCC(CC)(NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=N[N-]N=N1	REAL300019799295	0	45	-1.0	-44.02	351.91	1.75	-42.27
CCC(CC)(NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=NN=N[N-]1	REAL300019799295	1	45	-1.0	-44.05	351.98	1.76	-42.29
CCC(CC)(NC(=O)CN1C(=O)C=C(O)C=C1C)C1=N[N-]N=N1	REAL300019799296	0	42	-1.0	-44.99	331.91	1.29	-43.70
CCC(CC)(NC(=O)CN1C(=O)C=C(O)C=C1C)C1=NN=N[N-]1	REAL300019799296	1	42	-1.0	-44.94	331.97	1.31	-43.63
CCC(CC)(NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019799297	0	47	-1.0	-44.22	377.14	3.19	-41.03
CCC(CC)(NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019799297	1	47	-1.0	-44.20	377.20	3.21	-40.99
CCC(CC)(NC(=O)CC(C)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL300019799298	0	48	-1.0	-36.54	364.83	5.64	-30.90
CCC(CC)(NC(=O)CC(C)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL300019799298	1	48	-1.0	-36.56	364.90	5.65	-30.91
CCC(CC)(NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300019799299	0	46	-1.0	-37.84	369.13	6.07	-31.77
CCC(CC)(NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300019799299	1	46	-1.0	-37.83	369.20	6.09	-31.74
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)NC)=CS1)C1=N[N-]N=N1	REAL300019799300	0	40	-1.0	-39.98	345.12	-0.32	-40.30
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)NC)=CS1)C1=NN=N[N-]1	REAL300019799300	1	40	-1.0	-40.02	345.19	-0.31	-40.33
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300019799301	0	43	-1.0	-36.22	352.97	6.49	-29.73
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300019799301	1	43	-1.0	-36.20	353.03	6.51	-29.69
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300019799302	0	43	-1.0	-38.39	329.70	5.40	-32.99
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300019799302	1	43	-1.0	-38.36	329.63	5.39	-32.97
CCC(CC)(NC(=O)C1=C(C)OC(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL300019799303	0	43	-1.0	-40.50	356.53	-0.57	-41.07
CCC(CC)(NC(=O)C1=C(C)OC(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL300019799303	1	43	-1.0	-40.48	356.60	-0.55	-41.03
CCC(CC)(NC(=O)C1=CC(C)=C(Br)S1)C1=N[N-]N=N1	REAL300019799304	0	35	-1.0	-33.54	309.08	4.77	-28.77
CCC(CC)(NC(=O)C1=CC(C)=C(Br)S1)C1=NN=N[N-]1	REAL300019799304	1	35	-1.0	-33.54	309.15	4.78	-28.76
CCC(CC)(NC(=O)C1=CC(C)=C(F)C=C1F)C1=N[N-]N=N1	REAL300019799305	0	38	-1.0	-34.00	306.28	5.34	-28.66
CCC(CC)(NC(=O)C1=CC(C)=C(F)C=C1F)C1=NN=N[N-]1	REAL300019799305	1	38	-1.0	-34.01	306.35	5.34	-28.67
CCC(CC)(NC(=O)C(F)(F)C1=CC(OC)=CC=C1OC)C1=NN=N[N-]1	REAL300019799306	0	46	-1.0	-39.09	366.74	3.92	-35.17
CCC(CC)(NC(=O)C(F)(F)C1=CC(OC)=CC=C1OC)C1=N[N-]N=N1	REAL300019799306	1	46	-1.0	-39.11	366.68	3.91	-35.20
CCC(CC)(NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=NN=N[N-]1	REAL300019799307	0	47	-1.0	-36.19	379.66	5.34	-30.85
CCC(CC)(NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=N[N-]N=N1	REAL300019799307	1	47	-1.0	-36.15	379.59	5.32	-30.83
CCC(CC)(NC(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL300019799308	0	35	-1.0	-34.77	292.17	4.75	-30.02
CCC(CC)(NC(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL300019799308	1	35	-1.0	-34.75	292.24	4.76	-29.99
CCC(CC)(NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300019799309	0	46	-1.0	-39.65	364.81	1.55	-38.10
CCC(CC)(NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300019799309	1	46	-1.0	-39.64	364.88	1.57	-38.07
CCC(CC)(NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019799310	0	46	-1.0	-37.92	364.00	6.31	-31.61
CCC(CC)(NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019799310	1	46	-1.0	-37.94	364.07	6.32	-31.62
CCC(CC)(NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL300019799311	0	48	-1.0	-38.37	375.18	6.65	-31.72
CCC(CC)(NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL300019799311	1	48	-1.0	-38.30	375.24	6.67	-31.63
CCC(CC)(NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300019799312	0	45	-1.0	-38.44	367.92	6.69	-31.75
CCC(CC)(NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300019799312	1	45	-1.0	-38.46	367.99	6.70	-31.76
CCC(CC)(NC(=O)C1=CC(C2=CC=C(OC)C(OC)=C2)=NN1)C1=N[N-]N=N1	REAL300019799313	0	50	-1.0	-37.35	395.17	3.81	-33.54
CCC(CC)(NC(=O)C1=CC(C2=CC=C(OC)C(OC)=C2)=NN1)C1=NN=N[N-]1	REAL300019799313	1	50	-1.0	-37.47	395.23	3.83	-33.64
CCC(CC)(NC(=O)CCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019799314	0	41	-1.0	-34.55	343.19	6.55	-28.00
CCC(CC)(NC(=O)CCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019799314	1	41	-1.0	-34.52	343.25	6.56	-27.96
CCC(CC)(NC(=O)C(F)(F)C1=CC(F)=CC=C1OC)C1=NN=N[N-]1	REAL300019799315	0	42	-1.0	-36.86	343.66	4.69	-32.17
CCC(CC)(NC(=O)C(F)(F)C1=CC(F)=CC=C1OC)C1=N[N-]N=N1	REAL300019799315	1	42	-1.0	-36.86	343.59	4.68	-32.18
CCC(OC1=CC=CC=C1Cl)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799316	0	45	-1.0	-37.66	357.86	6.58	-31.08
CCC(OC1=CC=CC=C1Cl)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799316	1	45	-1.0	-37.63	357.93	6.59	-31.04
CCC(CC)(NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=N[N-]N=N1	REAL300019799317	0	45	-1.0	-39.22	358.41	5.65	-33.57
CCC(CC)(NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=NN=N[N-]1	REAL300019799317	1	45	-1.0	-39.19	358.48	5.67	-33.52
CCC(CC)(NC(=O)C1=C(Br)C=CO1)C1=N[N-]N=N1	REAL300019799318	0	32	-1.0	-36.41	278.73	3.06	-33.35
CCC(CC)(NC(=O)C1=C(Br)C=CO1)C1=NN=N[N-]1	REAL300019799318	1	32	-1.0	-36.45	278.79	3.08	-33.37
CCC(CC)(NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300019799319	0	44	-1.0	-39.54	347.40	6.66	-32.88
CCC(CC)(NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300019799319	1	44	-1.0	-39.53	347.47	6.67	-32.86
CCC(CC)(NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019799320	0	60	-1.0	-37.88	440.52	3.76	-34.12
CCC(CC)(NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019799320	1	60	-1.0	-37.92	440.59	3.77	-34.15
CCC(CC)(NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019799320	1	61	0.0	-62.88	442.90	5.97	-56.91
CCC(CC)(NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300019799321	0	46	-1.0	-42.33	364.89	1.53	-40.80
CCC(CC)(NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300019799321	1	46	-1.0	-42.38	364.95	1.54	-40.84
CCC(CC)(NC(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL300019799322	0	44	-1.0	-42.92	373.91	3.05	-39.87
CCC(CC)(NC(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL300019799322	1	44	-1.0	-42.93	373.98	3.06	-39.87
CCC(CC)(NC(=O)C1=CNC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL300019799323	0	38	-1.0	-46.47	302.45	1.13	-45.34
CCC(CC)(NC(=O)C1=CNC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL300019799323	1	38	-1.0	-46.49	302.51	1.14	-45.35
CCC(CC)(NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300019799324	0	51	-1.0	-37.88	390.27	6.73	-31.15
CCC(CC)(NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300019799324	1	51	-1.0	-37.84	390.33	6.74	-31.10
CCC(CC)(NC(=O)C1=CC(C(C)C)=NN1C)C1=N[N-]N=N1	REAL300019799325	0	44	-1.0	-34.07	338.33	4.02	-30.05
CCC(CC)(NC(=O)C1=CC(C(C)C)=NN1C)C1=NN=N[N-]1	REAL300019799325	1	44	-1.0	-34.09	338.40	4.04	-30.05
CCC(CC)(NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL300019799326	0	44	-1.0	-43.27	356.94	1.54	-41.73
CCC(CC)(NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL300019799326	1	44	-1.0	-43.21	356.88	1.54	-41.67
CCC(CC)(NC(=O)CCC1=NN=C(C(C)C)O1)C1=N[N-]N=N1	REAL300019799327	0	45	-1.0	-38.22	356.30	0.21	-38.01
CCC(CC)(NC(=O)CCC1=NN=C(C(C)C)O1)C1=NN=N[N-]1	REAL300019799327	1	45	-1.0	-38.18	356.37	0.22	-37.96
CCC(CC)(NC(=O)C1=NN(C)C(C(C)C)=C1)C1=N[N-]N=N1	REAL300019799328	0	44	-1.0	-40.57	341.60	3.98	-36.59
CCC(CC)(NC(=O)C1=NN(C)C(C(C)C)=C1)C1=NN=N[N-]1	REAL300019799328	1	44	-1.0	-40.56	341.67	3.99	-36.57
CCC(CC)(NC(=O)C1=CC=C(OCCCOC)C=C1)C1=N[N-]N=N1	REAL300019799329	0	49	-1.0	-36.38	382.29	4.55	-31.83
CCC(CC)(NC(=O)C1=CC=C(OCCCOC)C=C1)C1=NN=N[N-]1	REAL300019799329	1	49	-1.0	-36.36	382.35	4.57	-31.79
CCC(CC)(NC(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=N[N-]N=N1	REAL300019799330	0	48	-1.0	-38.84	389.48	6.54	-32.30
CCC(CC)(NC(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=NN=N[N-]1	REAL300019799330	1	48	-1.0	-38.83	389.55	6.55	-32.28
CCC(CC)(NC(=O)C(C)CS(C)(=O)=O)C1=N[N-]N=N1	REAL300019799331	0	40	-1.0	-41.80	317.98	0.47	-41.33
CCC(CC)(NC(=O)C(C)CS(C)(=O)=O)C1=NN=N[N-]1	REAL300019799331	1	40	-1.0	-41.74	318.05	0.49	-41.25
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019799332	0	46	-1.0	-37.01	381.27	7.84	-29.17
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019799332	1	46	-1.0	-37.02	381.33	7.85	-29.17
CCC(CC)(NC(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL300019799333	0	47	-1.0	-37.58	395.76	8.80	-28.78
CCC(CC)(NC(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL300019799333	1	47	-1.0	-37.60	395.83	8.81	-28.79
CCC(CC)(NC(=O)C1=CC=C(F)C(CSC)=C1)C1=N[N-]N=N1	REAL300019799334	0	42	-1.0	-34.88	347.26	6.34	-28.54
CCC(CC)(NC(=O)C1=CC=C(F)C(CSC)=C1)C1=NN=N[N-]1	REAL300019799334	1	42	-1.0	-34.91	347.33	6.36	-28.55
CCC(CC)(NC(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=NN=N[N-]1	REAL300019799335	0	55	-1.0	-48.25	423.65	4.33	-43.92
CCC(CC)(NC(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=N[N-]N=N1	REAL300019799335	1	55	-1.0	-48.23	423.58	4.32	-43.91
CCC(CC)(NC(=O)CC(C)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019799336	0	48	-1.0	-35.77	364.81	5.65	-30.12
CCC(CC)(NC(=O)CC(C)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019799336	1	48	-1.0	-35.82	364.88	5.66	-30.16
CCC(CC)(NC(=O)C1=CC=CC(SCC#N)=C1)C1=N[N-]N=N1	REAL300019799337	0	40	-1.0	-41.70	336.85	6.05	-35.65
CCC(CC)(NC(=O)C1=CC=CC(SCC#N)=C1)C1=NN=N[N-]1	REAL300019799337	1	40	-1.0	-41.73	336.92	6.07	-35.66
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019799338	0	43	-1.0	-36.39	338.30	6.27	-30.12
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019799338	1	43	-1.0	-36.43	338.37	6.28	-30.15
CCC(CC)(NC(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019799339	0	40	-1.0	-40.98	336.08	5.40	-35.58
CCC(CC)(NC(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019799339	1	40	-1.0	-40.97	336.02	5.39	-35.58
CCC(CC)(NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019799340	0	48	-1.0	-35.29	356.11	5.58	-29.71
CCC(CC)(NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019799340	1	48	-1.0	-35.30	356.17	5.60	-29.70
CCC(CC)(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL300019799341	0	42	-1.0	-40.74	351.70	7.35	-33.39
CCC(CC)(NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL300019799341	1	42	-1.0	-40.75	351.63	7.35	-33.40
CCC(CC)(NC(=O)CCCC1=CC=C(C)S1)C1=N[N-]N=N1	REAL300019799342	0	44	-1.0	-36.29	355.50	6.59	-29.70
CCC(CC)(NC(=O)CCCC1=CC=C(C)S1)C1=NN=N[N-]1	REAL300019799342	1	44	-1.0	-36.29	355.57	6.61	-29.68
CCC(CC)(NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=N[N-]N=N1	REAL300019799343	0	47	-1.0	-39.64	371.81	1.48	-38.16
CCC(CC)(NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=NN=N[N-]1	REAL300019799343	1	47	-1.0	-39.68	371.88	1.49	-38.19
CCC(CC)(NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019799344	0	44	-1.0	-40.65	347.61	5.93	-34.72
CCC(CC)(NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019799344	1	44	-1.0	-40.63	347.67	5.95	-34.68
CCC(CC)(NC(=O)C1=CC2=C(C=O)C=CC(OC)=C2O1)C1=N[N-]N=N1	REAL300019799345	0	44	-1.0	-39.98	358.96	4.00	-35.98
CCC(CC)(NC(=O)C1=CC2=C(C=O)C=CC(OC)=C2O1)C1=NN=N[N-]1	REAL300019799345	1	44	-1.0	-39.98	359.02	4.00	-35.98
CCC(CC)(NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019799346	0	42	-1.0	-34.67	347.11	6.97	-27.70
CCC(CC)(NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019799346	1	42	-1.0	-34.67	347.17	6.99	-27.68
CCC(CC)(NC(=O)C1=CC(C)=C(OCC(=O)OC)C(C)=C1)C1=N[N-]N=N1	REAL300019799347	0	51	-1.0	-38.79	403.40	6.83	-31.96
CCC(CC)(NC(=O)C1=CC(C)=C(OCC(=O)OC)C(C)=C1)C1=NN=N[N-]1	REAL300019799347	1	51	-1.0	-38.78	403.47	6.84	-31.94
CCC(CC)(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300019799348	0	45	-1.0	-38.79	363.83	5.66	-33.13
CCC(CC)(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300019799348	1	45	-1.0	-38.79	363.76	5.65	-33.14
CCC(CC)(NC(=O)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300019799349	0	47	-1.0	-34.32	378.40	7.35	-26.97
CCC(CC)(NC(=O)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300019799349	1	47	-1.0	-34.31	378.46	7.36	-26.95
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=N[N-]N=N1	REAL300019799350	0	38	-1.0	-36.56	318.64	5.64	-30.92
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=NN=N[N-]1	REAL300019799350	1	38	-1.0	-36.58	318.71	5.64	-30.94
CCC(CC)(NC(=O)C(C)SC1=CC=CC=N1)C1=NN=N[N-]1	REAL300019799351	0	41	-1.0	-36.84	334.11	4.96	-31.88
CCC(CC)(NC(=O)C(C)SC1=CC=CC=N1)C1=N[N-]N=N1	REAL300019799351	1	41	-1.0	-36.85	334.04	4.94	-31.91
CCC(CC)(NC(=O)C=CSCC1=CC=CO1)C1=N[N-]N=N1	REAL300019799352	0	40	-1.0	-37.49	338.21	5.08	-32.41
CCC(CC)(NC(=O)C=CSCC1=CC=CO1)C1=NN=N[N-]1	REAL300019799352	1	40	-1.0	-37.45	338.27	5.09	-32.36
CCC(CC)(NC(=O)CC1=CC=CC(I)=C1)C1=N[N-]N=N1	REAL300019799353	0	38	-1.0	-35.02	327.49	6.33	-28.69
CCC(CC)(NC(=O)CC1=CC=CC(I)=C1)C1=NN=N[N-]1	REAL300019799353	1	38	-1.0	-35.04	327.55	6.33	-28.71
CCC(CC)(NC(=O)CC1=CC=C(OC)C=C1Cl)C1=N[N-]N=N1	REAL300019799354	0	42	-1.0	-37.27	344.22	4.85	-32.42
CCC(CC)(NC(=O)CC1=CC=C(OC)C=C1Cl)C1=NN=N[N-]1	REAL300019799354	1	42	-1.0	-37.28	344.29	4.86	-32.42
CCC(CC)(NC(=O)CCC(=O)C1=CC=C(OC)C(F)=C1)C1=N[N-]N=N1	REAL300019799355	0	47	-1.0	-38.73	377.71	5.14	-33.59
CCC(CC)(NC(=O)CCC(=O)C1=CC=C(OC)C(F)=C1)C1=NN=N[N-]1	REAL300019799355	1	47	-1.0	-38.73	377.77	5.16	-33.57
CCC(CC)(NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300019799356	0	44	-1.0	-34.61	361.39	7.11	-27.50
CCC(CC)(NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300019799356	1	44	-1.0	-34.63	361.46	7.12	-27.51
CCC(CC)(NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300019799357	0	43	-1.0	-49.97	360.52	-0.56	-50.53
CCC(CC)(NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300019799357	1	43	-1.0	-49.94	360.58	-0.54	-50.48
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=NN=N[N-]1	REAL300019799358	0	52	-1.0	-37.34	395.91	6.61	-30.73
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=N[N-]N=N1	REAL300019799358	1	52	-1.0	-37.31	395.85	6.60	-30.71
CCC(CC)(NC(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799359	0	55	-1.0	-40.94	436.88	5.41	-35.53
CCC(CC)(NC(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799359	1	55	-1.0	-40.99	436.95	5.42	-35.57
CCC(=O)C1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019799360	0	43	-1.0	-36.92	338.89	5.72	-31.20
CCC(=O)C1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019799360	1	43	-1.0	-36.89	338.96	5.73	-31.16
CCC(CC)(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799361	0	57	-1.0	-38.70	424.59	6.57	-32.13
CCC(CC)(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799361	1	57	-1.0	-38.69	424.66	6.59	-32.10
CCC(CC)(NC(=O)COCC=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799362	0	46	-1.0	-38.24	366.11	6.63	-31.61
CCC(CC)(NC(=O)COCC=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799362	1	46	-1.0	-38.24	366.17	6.65	-31.59
CCC(CC)(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300019799363	0	47	-1.0	-41.24	391.71	1.80	-39.44
CCC(CC)(NC(=O)C(C)NS(=O)(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300019799363	1	47	-1.0	-41.26	391.77	1.81	-39.45
CCC(CC)(NC(=O)C1=CC=C(F)C(OC)=C1)C1=N[N-]N=N1	REAL300019799364	0	39	-1.0	-34.45	311.54	3.80	-30.65
CCC(CC)(NC(=O)C1=CC=C(F)C(OC)=C1)C1=NN=N[N-]1	REAL300019799364	1	39	-1.0	-34.45	311.61	3.81	-30.64
CCC(CC)(NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300019799365	0	41	-1.0	-38.29	338.38	4.15	-34.14
CCC(CC)(NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300019799365	1	41	-1.0	-38.29	338.44	4.16	-34.13
CCC(CC)(NC(=O)C(C)CC1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL300019799366	0	44	-1.0	-34.87	364.28	7.06	-27.81
CCC(CC)(NC(=O)C(C)CC1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL300019799366	1	44	-1.0	-34.84	364.34	7.07	-27.77
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=N[N-]N=N1	REAL300019799367	0	40	-1.0	-42.11	334.21	-1.67	-43.78
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=NN=N[N-]1	REAL300019799367	1	40	-1.0	-42.06	334.28	-1.67	-43.73
CCC(CC)(NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=NN=N[N-]1	REAL300019799368	0	43	-1.0	-45.05	358.67	-0.08	-45.13
CCC(CC)(NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=N[N-]N=N1	REAL300019799368	1	43	-1.0	-45.01	358.60	-0.09	-45.10
CCC(C)C1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019799369	0	47	-1.0	-35.19	354.46	7.01	-28.18
CCC(C)C1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019799369	1	47	-1.0	-35.23	354.52	7.02	-28.21
CCC(CC)(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL300019799370	0	40	-1.0	-37.13	346.37	6.26	-30.87
CCC(CC)(NC(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL300019799370	1	40	-1.0	-37.14	346.44	6.28	-30.86
CCC(CC)(NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019799371	0	43	-1.0	-39.49	350.11	6.60	-32.89
CCC(CC)(NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019799371	1	43	-1.0	-39.46	350.18	6.61	-32.85
CCC(CC)(NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019799372	0	44	-1.0	-35.21	365.55	6.19	-29.02
CCC(CC)(NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019799372	1	44	-1.0	-35.25	365.62	6.19	-29.06
CCC(CC)(NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=N[N-]N=N1	REAL300019799373	0	45	-1.0	-35.71	372.66	7.79	-27.92
CCC(CC)(NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=NN=N[N-]1	REAL300019799373	1	45	-1.0	-35.71	372.73	7.80	-27.91
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300019799374	0	35	-1.0	-36.87	295.79	5.12	-31.75
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300019799374	1	35	-1.0	-36.90	295.86	5.12	-31.78
CCC(CC)(NC(=O)C1=CC=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300019799375	0	44	-1.0	-35.30	347.65	6.18	-29.12
CCC(CC)(NC(=O)C1=CC=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300019799375	1	44	-1.0	-35.29	347.71	6.18	-29.11
CCC(CC)(NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300019799376	0	46	-1.0	-35.40	360.98	6.52	-28.88
CCC(CC)(NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300019799376	1	46	-1.0	-35.41	360.92	6.52	-28.89
CCC(CC)(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=N[N-]N=N1	REAL300019799377	0	45	-1.0	-38.86	373.55	4.76	-34.10
CCC(CC)(NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=NN=N[N-]1	REAL300019799377	1	45	-1.0	-38.84	373.62	4.77	-34.07
CCC(CC)(NC(=O)C1=CC(C)=CC=C1Br)C1=N[N-]N=N1	REAL300019799378	0	38	-1.0	-35.76	312.73	5.85	-29.91
CCC(CC)(NC(=O)C1=CC(C)=CC=C1Br)C1=NN=N[N-]1	REAL300019799378	1	38	-1.0	-35.78	312.80	5.85	-29.93
CCC(CC)(NC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL300019799379	0	40	-1.0	-36.15	364.29	5.96	-30.19
CCC(CC)(NC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL300019799379	1	40	-1.0	-36.13	364.36	5.97	-30.16
CCC(CC)(NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300019799380	0	46	-1.0	-39.60	375.83	7.10	-32.50
CCC(CC)(NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300019799380	1	46	-1.0	-39.60	375.90	7.11	-32.49
CCC(CC)(NC(=O)CC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019799381	0	38	-1.0	-36.24	312.36	5.22	-31.02
CCC(CC)(NC(=O)CC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019799381	1	38	-1.0	-36.25	312.43	5.23	-31.02
CCC(CC)(NC(=O)CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019799382	0	38	-1.0	-36.49	312.43	5.36	-31.13
CCC(CC)(NC(=O)CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019799382	1	38	-1.0	-36.48	312.49	5.36	-31.12
CCC(CC)(NC(=O)CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019799383	0	38	-1.0	-37.69	311.12	5.17	-32.52
CCC(CC)(NC(=O)CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019799383	1	38	-1.0	-37.70	311.18	5.18	-32.52
CCC(CC)(NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799384	0	38	-1.0	-32.63	321.30	5.52	-27.11
CCC(CC)(NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799384	1	38	-1.0	-32.64	321.37	5.53	-27.11
CCC(CC)(NC(=O)CCCC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300019799385	0	47	-1.0	-37.77	379.75	8.05	-29.72
CCC(CC)(NC(=O)CCCC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300019799385	1	47	-1.0	-37.75	379.82	8.07	-29.68
CCC(CC)(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=NN=N[N-]1	REAL300019799386	0	45	-1.0	-33.91	372.81	6.26	-27.65
CCC(CC)(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=N[N-]N=N1	REAL300019799386	1	45	-1.0	-33.88	372.75	6.25	-27.63
CCC(CC)(NC(=O)CCCOC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300019799387	0	51	-1.0	-37.54	393.34	6.93	-30.61
CCC(CC)(NC(=O)CCCOC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300019799387	1	51	-1.0	-37.54	393.41	6.95	-30.59
CCC(CC)(NC(=O)C1CC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799388	0	45	-1.0	-35.02	347.44	7.49	-27.53
CCC(CC)(NC(=O)C1CC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799388	1	45	-1.0	-35.01	347.50	7.49	-27.52
CCC(CC)(NC(=O)CC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300019799389	0	38	-1.0	-38.98	312.24	5.20	-33.78
CCC(CC)(NC(=O)CC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL300019799389	1	38	-1.0	-38.98	312.31	5.22	-33.76
CCC(CC)(NC(=O)CCOC(C)CC(C)C)C1=N[N-]N=N1	REAL300019799390	0	50	-1.0	-34.12	375.79	5.05	-29.07
CCC(CC)(NC(=O)CCOC(C)CC(C)C)C1=NN=N[N-]1	REAL300019799390	1	50	-1.0	-34.09	375.86	5.07	-29.02
CCC(CC)(NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL300019799391	0	41	-1.0	-35.35	365.79	6.81	-28.54
CCC(CC)(NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL300019799391	1	41	-1.0	-35.40	365.86	6.82	-28.58
CCC(CC)(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019799392	0	51	-2.0	-101.99	403.44	5.69	-96.30
CCC(CC)(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019799392	1	51	-2.0	-102.05	403.51	5.69	-96.36
CCN(CC)C(=O)CCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799393	0	47	-1.0	-38.19	359.65	4.33	-33.86
CCN(CC)C(=O)CCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799393	1	47	-1.0	-38.20	359.71	4.34	-33.86
CCC(CC)(NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799394	0	39	-1.0	-33.62	321.83	4.25	-29.37
CCC(CC)(NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799394	1	39	-1.0	-33.60	321.90	4.26	-29.34
CCC(CC)(NC(=O)C1=CC(C)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019799395	0	38	-1.0	-35.11	313.99	5.62	-29.49
CCC(CC)(NC(=O)C1=CC(C)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019799395	1	38	-1.0	-35.11	314.06	5.63	-29.48
CCC(CC)(NC(=O)C1=CC(I)=CC=C1C)C1=N[N-]N=N1	REAL300019799396	0	38	-1.0	-34.59	318.93	6.32	-28.27
CCC(CC)(NC(=O)C1=CC(I)=CC=C1C)C1=NN=N[N-]1	REAL300019799396	1	38	-1.0	-34.58	318.99	6.33	-28.25
CCC(CC)(NC(=O)CCSC1=CC=CC=N1)C1=NN=N[N-]1	REAL300019799397	0	41	-1.0	-38.36	338.84	4.81	-33.55
CCC(CC)(NC(=O)CCSC1=CC=CC=N1)C1=N[N-]N=N1	REAL300019799397	1	41	-1.0	-38.41	338.77	4.80	-33.61
CCC(CC)(NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019799398	0	46	-1.0	-42.02	375.57	-0.91	-42.93
CCC(CC)(NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019799398	1	46	-1.0	-42.04	375.51	-0.93	-42.97
CCC(CC)(NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL300019799399	0	35	-1.0	-33.09	311.15	5.64	-27.45
CCC(CC)(NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL300019799399	1	35	-1.0	-33.14	311.21	5.64	-27.50
CCC(CC)(NC(=O)C1=CC=NC=C1Br)C1=NN=N[N-]1	REAL300019799400	0	34	-1.0	-33.77	287.59	3.32	-30.45
CCC(CC)(NC(=O)C1=CC=NC=C1Br)C1=N[N-]N=N1	REAL300019799400	1	34	-1.0	-33.80	287.52	3.30	-30.50
CCC(CC)(NC(=O)C1=CC(OC)=C(S(N)(=O)=O)S1)C1=N[N-]N=N1	REAL300019799401	0	41	-1.0	-39.84	353.36	-2.21	-42.05
CCC(CC)(NC(=O)C1=CC(OC)=C(S(N)(=O)=O)S1)C1=NN=N[N-]1	REAL300019799401	1	41	-1.0	-39.87	353.43	-2.20	-42.07
CCC(CC)(NC(=O)C1=CC2=CC(OC)=CC=C2OC1)C1=N[N-]N=N1	REAL300019799402	0	45	-1.0	-36.95	351.22	4.23	-32.72
CCC(CC)(NC(=O)C1=CC2=CC(OC)=CC=C2OC1)C1=NN=N[N-]1	REAL300019799402	1	45	-1.0	-36.94	351.29	4.24	-32.70
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=N[N-]N=N1	REAL300019799403	0	42	-1.0	-37.69	341.01	4.74	-32.95
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=NN=N[N-]1	REAL300019799403	1	42	-1.0	-37.71	341.07	4.75	-32.96
CCC(CC)(NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL300019799404	0	45	-1.0	-36.83	351.20	4.37	-32.46
CCC(CC)(NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL300019799404	1	45	-1.0	-36.83	351.27	4.38	-32.45
CCC(CC)(NC(=O)C1=NN(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL300019799405	0	45	-1.0	-39.85	343.51	5.00	-34.85
CCC(CC)(NC(=O)C1=NN(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL300019799405	1	45	-1.0	-39.80	343.44	4.99	-34.81
CCC(CC)(NC(=O)C(C)CS(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019799406	0	47	-1.0	-39.21	381.90	3.76	-35.45
CCC(CC)(NC(=O)C(C)CS(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019799406	1	47	-1.0	-39.24	381.96	3.77	-35.47
CCC(CC)(NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019799407	0	45	-1.0	-34.04	364.50	7.03	-27.01
CCC(CC)(NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019799407	1	45	-1.0	-34.05	364.57	7.04	-27.01
CCC1=NOC(CC)=C1CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799408	0	46	-1.0	-37.24	359.45	5.39	-31.85
CCC1=NOC(CC)=C1CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799408	1	46	-1.0	-37.21	359.52	5.41	-31.80
CCC(CC)(NC(=O)CC1=C(C)SC(C)=N1)C1=N[N-]N=N1	REAL300019799409	0	40	-1.0	-37.86	325.96	3.48	-34.38
CCC(CC)(NC(=O)CC1=C(C)SC(C)=N1)C1=NN=N[N-]1	REAL300019799409	1	40	-1.0	-37.88	326.03	3.49	-34.39
CCC(CC)(NC(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019799410	0	45	-1.0	-40.78	365.00	3.97	-36.81
CCC(CC)(NC(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019799410	1	45	-1.0	-40.73	365.07	3.99	-36.74
CCC(CC)(NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300019799411	0	48	-1.0	-38.55	376.25	7.70	-30.85
CCC(CC)(NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300019799411	1	48	-1.0	-38.56	376.31	7.72	-30.84
CCC(CC)(NC(=O)CCC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL300019799412	0	46	-1.0	-36.77	357.79	5.77	-31.00
CCC(CC)(NC(=O)CCC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL300019799412	1	46	-1.0	-36.78	357.85	5.78	-31.00
CCC(CC)(NC(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019799413	0	57	-1.0	-38.70	427.78	5.39	-33.31
CCC(CC)(NC(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019799413	1	57	-1.0	-38.69	427.84	5.41	-33.28
CCC(CC)(NC(=O)CN1C=C(C(C)O)N=N1)C1=N[N-]N=N1	REAL300019799414	0	41	-1.0	-42.87	327.89	-0.73	-43.60
CCC(CC)(NC(=O)CN1C=C(C(C)O)N=N1)C1=NN=N[N-]1	REAL300019799414	1	41	-1.0	-42.92	327.95	-0.71	-43.63
CCC(CC)(NC(=O)C1=CC=NN1C1CCCC1)C1=NN=N[N-]1	REAL300019799415	0	45	-1.0	-34.07	340.11	5.22	-28.85
CCC(CC)(NC(=O)C1=CC=NN1C1CCCC1)C1=N[N-]N=N1	REAL300019799415	1	45	-1.0	-34.12	340.05	5.21	-28.91
CCC(CC)(NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL300019799416	0	41	-1.0	-40.54	335.34	3.19	-37.35
CCC(CC)(NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL300019799416	1	41	-1.0	-40.54	335.28	3.18	-37.36
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=N[N-]N=N1	REAL300019799417	0	46	-1.0	-41.46	370.14	0.99	-40.47
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=NN=N[N-]1	REAL300019799417	1	46	-1.0	-41.43	370.20	1.00	-40.43
CCC1=NC(C2=CC=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)C=C2)=NN1	REAL300019799418	0	47	-1.0	-39.53	374.34	5.79	-33.74
CCC1=NC(C2=CC=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)C=C2)=NN1	REAL300019799418	1	47	-1.0	-39.57	374.40	5.81	-33.76
CCC(CC)(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019799419	0	37	-1.0	-32.28	324.55	5.84	-26.44
CCC(CC)(NC(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019799419	1	37	-1.0	-32.27	324.61	5.85	-26.42
CCC(CC)(NC(=O)C#CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019799420	0	40	-1.0	-37.08	333.71	4.48	-32.60
CCC(CC)(NC(=O)C#CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019799420	1	40	-1.0	-37.05	333.78	4.49	-32.56
CCC(CC)(NC(=O)C=CC1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL300019799421	0	43	-1.0	-38.20	343.20	2.96	-35.24
CCC(CC)(NC(=O)C=CC1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL300019799421	1	43	-1.0	-38.15	343.27	2.97	-35.18
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=NN=N[N-]1	REAL300019799422	0	47	-1.0	-36.14	365.90	6.87	-29.27
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=N[N-]N=N1	REAL300019799422	1	47	-1.0	-36.10	365.84	6.87	-29.23
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2)=C1)C1=NN=N[N-]1	REAL300019799423	0	48	-1.0	-36.97	373.95	5.49	-31.48
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(OC)C=C2)=C1)C1=N[N-]N=N1	REAL300019799423	1	48	-1.0	-36.91	373.88	5.49	-31.42
CCC(CC)(NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799424	0	45	-1.0	-38.53	370.65	5.92	-32.61
CCC(CC)(NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799424	1	45	-1.0	-38.55	370.71	5.93	-32.62
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019799425	0	44	-1.0	-36.22	344.50	6.19	-30.03
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019799425	1	44	-1.0	-36.18	344.44	6.19	-29.99
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019799426	0	44	-1.0	-35.50	361.23	6.71	-28.79
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019799426	1	44	-1.0	-35.48	361.16	6.71	-28.77
CCC(CC1=CC=CC=C1Br)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799427	0	47	-1.0	-35.28	362.37	7.77	-27.51
CCC(CC1=CC=CC=C1Br)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799427	1	47	-1.0	-35.30	362.44	7.78	-27.52
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=NN=N[N-]1	REAL300019799428	0	49	-1.0	-37.56	380.43	6.05	-31.51
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=N[N-]N=N1	REAL300019799428	1	49	-1.0	-37.60	380.37	6.04	-31.56
CCC(CC)N1N=CC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799429	0	47	-1.0	-34.33	356.44	5.27	-29.06
CCC(CC)N1N=CC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799429	1	47	-1.0	-34.33	356.37	5.25	-29.08
CCC(CC)(NC(=O)CC1=CC(OC)=CC=C1Br)C1=N[N-]N=N1	REAL300019799430	0	42	-1.0	-36.74	346.88	5.00	-31.74
CCC(CC)(NC(=O)CC1=CC(OC)=CC=C1Br)C1=NN=N[N-]1	REAL300019799430	1	42	-1.0	-36.73	346.94	5.00	-31.73
CCC(CC)(NC(=O)C1CCCC2=NNC=C21)C1=N[N-]N=N1	REAL300019799431	0	42	-1.0	-35.06	314.39	3.31	-31.75
CCC(CC)(NC(=O)C1CCCC2=NNC=C21)C1=NN=N[N-]1	REAL300019799431	1	42	-1.0	-35.06	314.46	3.32	-31.74
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC)O1)C1=N[N-]N=N1	REAL300019799432	0	38	-1.0	-35.99	317.05	3.28	-32.71
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC)O1)C1=NN=N[N-]1	REAL300019799432	1	38	-1.0	-36.00	317.11	3.29	-32.71
CCC(CC)(NC(=O)C1=CC(F)=C(C)C=C1F)C1=N[N-]N=N1	REAL300019799433	0	38	-1.0	-36.18	306.29	5.34	-30.84
CCC(CC)(NC(=O)C1=CC(F)=C(C)C=C1F)C1=NN=N[N-]1	REAL300019799433	1	38	-1.0	-36.20	306.35	5.34	-30.86
CCCOC1=CC=CC(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019799434	0	48	-1.0	-37.38	373.35	6.14	-31.24
CCCOC1=CC=CC(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019799434	1	48	-1.0	-37.40	373.42	6.16	-31.24
CCC(CC)(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019799435	0	45	-1.0	-39.03	381.70	5.48	-33.55
CCC(CC)(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300019799435	1	45	-1.0	-39.01	381.64	5.46	-33.55
CCC(CC)(NC(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=N[N-]N=N1	REAL300019799436	0	54	-1.0	-36.47	412.31	9.51	-26.96
CCC(CC)(NC(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=NN=N[N-]1	REAL300019799436	1	54	-1.0	-36.48	412.37	9.53	-26.95
CCC(CC)(NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799437	0	42	-1.0	-38.75	346.76	5.13	-33.62
CCC(CC)(NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799437	1	42	-1.0	-38.72	346.83	5.14	-33.58
CCC(CC)(NC(=O)CNS(=O)(=O)CCCOC)C1=N[N-]N=N1	REAL300019799438	0	46	-1.0	-43.51	373.61	-1.62	-45.13
CCC(CC)(NC(=O)CNS(=O)(=O)CCCOC)C1=NN=N[N-]1	REAL300019799438	1	46	-1.0	-43.54	373.68	-1.61	-45.15
CCC(CC)N1C=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL300019799439	0	47	-1.0	-40.45	359.34	5.21	-35.24
CCC(CC)N1C=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL300019799439	1	47	-1.0	-40.47	359.28	5.21	-35.26
CCC(CC)(NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300019799440	0	49	-1.0	-43.31	395.38	5.41	-37.90
CCC(CC)(NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300019799440	1	49	-1.0	-43.37	395.45	5.43	-37.94
CCC(CC)(NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL300019799441	0	46	-1.0	-42.67	368.27	6.58	-36.09
CCC(CC)(NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL300019799441	1	46	-1.0	-42.71	368.34	6.60	-36.11
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL300019799442	0	47	-1.0	-36.01	365.91	6.86	-29.15
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL300019799442	1	47	-1.0	-36.03	365.84	6.86	-29.17
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC)C(F)=C1)C1=N[N-]N=N1	REAL300019799443	0	41	-1.0	-38.00	334.35	5.25	-32.75
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC)C(F)=C1)C1=NN=N[N-]1	REAL300019799443	1	41	-1.0	-37.98	334.41	5.25	-32.73
CCC(CC)(NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=N[N-]N=N1	REAL300019799444	0	47	-1.0	-38.13	369.50	1.29	-36.84
CCC(CC)(NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=NN=N[N-]1	REAL300019799444	1	47	-1.0	-38.10	369.56	1.30	-36.80
CCC(CC)(NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=N[N-]N=N1	REAL300019799445	0	46	-1.0	-36.11	359.12	3.95	-32.16
CCC(CC)(NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=NN=N[N-]1	REAL300019799445	1	46	-1.0	-36.12	359.18	3.96	-32.16
CCC(CC)(NC(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=N[N-]N=N1	REAL300019799446	0	56	-1.0	-40.84	410.38	4.64	-36.20
CCC(CC)(NC(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=NN=N[N-]1	REAL300019799446	1	56	-1.0	-40.86	410.44	4.65	-36.21
CCC(CC)(NC(=O)C1=CC=NC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300019799447	0	44	-1.0	-34.92	345.30	3.04	-31.88
CCC(CC)(NC(=O)C1=CC=NC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300019799447	1	44	-1.0	-34.91	345.23	3.03	-31.88
CCC(CC)(NC(=O)CSC1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300019799448	0	42	-1.0	-38.51	348.53	4.54	-33.97
CCC(CC)(NC(=O)CSC1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300019799448	1	42	-1.0	-38.50	348.46	4.53	-33.97
CCC(CC)(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019799449	0	37	-2.0	-78.37	310.70	3.12	-75.25
CCC(CC)(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019799449	1	37	-2.0	-78.37	310.77	3.13	-75.24
CCC(CC)(NC(=O)C1=CC(O)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019799449	1	38	-1.0	-35.63	315.06	2.25	-33.38
CCC(CC)(NC(=O)C1=CC(O)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019799449	1	38	-1.0	-35.65	315.13	2.26	-33.39
CCC(CC)(NC(=O)C1=NC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL300019799450	0	35	-1.0	-36.00	305.71	3.75	-32.25
CCC(CC)(NC(=O)C1=NC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL300019799450	1	35	-1.0	-36.00	305.65	3.75	-32.25
CCC(CC)(NC(=O)COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=NN=N[N-]1	REAL300019799451	0	46	-1.0	-42.55	375.45	5.88	-36.67
CCC(CC)(NC(=O)COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=N[N-]N=N1	REAL300019799451	1	46	-1.0	-42.54	375.38	5.86	-36.68
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300019799452	0	51	-2.0	-86.64	415.49	3.18	-83.46
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=NN=N[N-]1	REAL300019799452	1	51	-2.0	-86.66	415.56	3.19	-83.47
CCC(CC)(NC(=O)CCC(=O)NC1=NN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300019799452	1	52	-1.0	-45.75	418.84	4.31	-41.44
CCC(CC)(NC(=O)C1=CC=CC(C(=O)NC)=N1)C1=NN=N[N-]1	REAL300019799453	0	41	-1.0	-37.35	332.02	1.05	-36.30
CCC(CC)(NC(=O)C1=CC=CC(C(=O)NC)=N1)C1=N[N-]N=N1	REAL300019799453	1	41	-1.0	-37.35	331.96	1.03	-36.32
CCC(CC)(NC(=O)CC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300019799454	0	41	-1.0	-36.33	336.14	6.22	-30.11
CCC(CC)(NC(=O)CC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300019799454	1	41	-1.0	-36.34	336.20	6.23	-30.11
CCC(CC)(NC(=O)C1=CC=NC(Br)=C1)C1=NN=N[N-]1	REAL300019799455	0	34	-1.0	-33.01	291.78	3.30	-29.71
CCC(CC)(NC(=O)C1=CC=NC(Br)=C1)C1=N[N-]N=N1	REAL300019799455	1	34	-1.0	-33.05	291.71	3.29	-29.76
CCC(CC)(NC(=O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019799456	0	35	-1.0	-33.51	297.63	5.13	-28.38
CCC(CC)(NC(=O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019799456	1	35	-1.0	-33.52	297.69	5.13	-28.39
CCC(CC)(NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=NN=N[N-]1	REAL300019799457	0	44	-1.0	-43.01	364.88	4.70	-38.31
CCC(CC)(NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=N[N-]N=N1	REAL300019799457	1	44	-1.0	-43.08	364.82	4.68	-38.40
CCC(CC)(NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300019799458	0	42	-1.0	-46.70	343.68	3.97	-42.73
CCC(CC)(NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300019799458	1	42	-1.0	-46.71	343.74	3.97	-42.74
CCC(CC)(NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=N[N-]N=N1	REAL300019799459	0	42	-1.0	-42.09	343.54	3.98	-38.11
CCC(CC)(NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=NN=N[N-]1	REAL300019799459	1	42	-1.0	-42.07	343.61	3.98	-38.09
CCC(CC)(NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=N[N-]N=N1	REAL300019799460	0	43	-1.0	-38.49	340.14	3.71	-34.78
CCC(CC)(NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=NN=N[N-]1	REAL300019799460	1	43	-1.0	-38.40	340.20	3.72	-34.68
CCC(CC)(NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=N[N-]N=N1	REAL300019799461	0	49	-1.0	-36.43	378.84	3.80	-32.63
CCC(CC)(NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=NN=N[N-]1	REAL300019799461	1	49	-1.0	-36.40	378.90	3.81	-32.59
CCCC(O)(CCC)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799462	0	50	-1.0	-36.44	361.81	3.94	-32.50
CCCC(O)(CCC)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799462	1	50	-1.0	-36.43	361.88	3.95	-32.48
CCC(CC)(NC(=O)CSC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300019799463	0	40	-1.0	-36.51	330.02	2.72	-33.79
CCC(CC)(NC(=O)CSC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300019799463	1	40	-1.0	-36.54	330.09	2.73	-33.81
CCC(CC)(NC(=O)C1=CC=CC(C(C)C)=N1)C1=N[N-]N=N1	REAL300019799464	0	43	-1.0	-39.88	333.20	4.55	-35.33
CCC(CC)(NC(=O)C1=CC=CC(C(C)C)=N1)C1=NN=N[N-]1	REAL300019799464	1	43	-1.0	-39.85	333.27	4.57	-35.28
CCC(CC)(NC(=O)CC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300019799465	0	38	-1.0	-35.39	321.14	5.62	-29.77
CCC(CC)(NC(=O)CC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300019799465	1	38	-1.0	-35.39	321.20	5.63	-29.76
CCOCCS(=O)(=O)NCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799466	0	46	-1.0	-41.48	373.97	-1.45	-42.93
CCOCCS(=O)(=O)NCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799466	1	46	-1.0	-41.50	374.03	-1.43	-42.93
CCC(CC)(NC(=O)CC1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300019799467	0	38	-1.0	-35.57	318.61	5.28	-30.29
CCC(CC)(NC(=O)CC1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300019799467	1	38	-1.0	-35.58	318.68	5.29	-30.29
CCC(CC)(NC(=O)C1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300019799468	0	38	-1.0	-33.54	311.27	5.54	-28.00
CCC(CC)(NC(=O)C1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300019799468	1	38	-1.0	-33.56	311.34	5.55	-28.01
CCC(CC)(NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300019799469	0	41	-1.0	-36.99	340.96	5.53	-31.46
CCC(CC)(NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019799469	1	41	-1.0	-37.00	340.90	5.52	-31.48
CCC(CC)(NC(=O)COC1=CC=C(OC)C(C)=C1)C1=N[N-]N=N1	REAL300019799470	0	46	-1.0	-37.55	358.97	4.90	-32.65
CCC(CC)(NC(=O)COC1=CC=C(OC)C(C)=C1)C1=NN=N[N-]1	REAL300019799470	1	46	-1.0	-37.56	359.04	4.91	-32.65
CCC(OC1CCCCC1)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799471	0	51	-1.0	-34.76	376.61	6.53	-28.23
CCC(OC1CCCCC1)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799471	1	51	-1.0	-34.76	376.68	6.54	-28.22
CCC(CC)(NC(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=NN=N[N-]1	REAL300019799472	0	45	-1.0	-43.48	375.67	6.65	-36.83
CCC(CC)(NC(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=N[N-]N=N1	REAL300019799472	1	45	-1.0	-43.50	375.61	6.63	-36.87
CCC(CC)(NC(=O)CN1C=C(C2CC2)N=N1)C1=N[N-]N=N1	REAL300019799473	0	41	-1.0	-43.20	326.47	3.32	-39.88
CCC(CC)(NC(=O)CN1C=C(C2CC2)N=N1)C1=NN=N[N-]1	REAL300019799473	1	41	-1.0	-43.22	326.53	3.34	-39.88
CCC(CC)(NC(=O)CCCC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019799474	0	44	-1.0	-36.34	364.68	7.32	-29.02
CCC(CC)(NC(=O)CCCC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019799474	1	44	-1.0	-36.32	364.75	7.34	-28.98
CCC(CC)(NC(=O)CNS(=O)(=O)CC)C1=N[N-]N=N1	REAL300019799475	0	39	-1.0	-41.96	318.44	-1.49	-43.45
CCC(CC)(NC(=O)CNS(=O)(=O)CC)C1=NN=N[N-]1	REAL300019799475	1	39	-1.0	-41.94	318.51	-1.47	-43.41
CCC(CC)(NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019799476	0	44	-1.0	-42.98	367.20	-2.35	-45.33
CCC(CC)(NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019799476	1	44	-1.0	-42.99	367.26	-2.34	-45.33
CCC(CC)(NC(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799477	0	55	-1.0	-40.78	425.72	7.55	-33.23
CCC(CC)(NC(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799477	1	55	-1.0	-40.77	425.78	7.57	-33.20
CCC(CC)(NC(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019799478	0	59	-1.0	-40.13	440.00	5.65	-34.48
CCC(CC)(NC(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019799478	1	59	-1.0	-40.16	440.07	5.66	-34.50
CCC(CC)(NC(=O)CSC1=NC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019799479	0	44	-1.0	-38.45	360.48	6.23	-32.22
CCC(CC)(NC(=O)CSC1=NC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019799479	1	44	-1.0	-38.48	360.41	6.22	-32.26
CCC(CC)(NC(=O)CSC1=NNC(C2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL300019799480	0	48	-1.0	-39.61	398.47	6.30	-33.31
CCC(CC)(NC(=O)CSC1=NNC(C2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL300019799480	1	48	-1.0	-39.60	398.54	6.31	-33.29
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300019799481	0	48	-2.0	-86.38	397.88	2.54	-83.84
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300019799481	1	48	-2.0	-86.36	397.95	2.55	-83.81
CCC(CC)(NC(=O)CCC(=O)NC1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300019799481	1	49	-1.0	-45.81	401.17	3.67	-42.14
CCC(CC)(NC(=O)C=CC1=NN=C(C(C)C)O1)C1=N[N-]N=N1	REAL300019799482	0	43	-1.0	-37.64	347.83	0.12	-37.52
CCC(CC)(NC(=O)C=CC1=NN=C(C(C)C)O1)C1=NN=N[N-]1	REAL300019799482	1	43	-1.0	-37.63	347.89	0.13	-37.50
CCC(CC)(NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019799483	0	53	-1.0	-36.16	399.97	6.11	-30.05
CCC(CC)(NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019799483	1	53	-1.0	-36.12	400.03	6.12	-30.00
CCC(CC)(NC(=O)C1=C(Br)SC(C)=C1)C1=N[N-]N=N1	REAL300019799484	0	35	-1.0	-34.71	305.88	5.00	-29.71
CCC(CC)(NC(=O)C1=C(Br)SC(C)=C1)C1=NN=N[N-]1	REAL300019799484	1	35	-1.0	-34.72	305.95	5.01	-29.71
CCC(CC)(NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300019799485	0	39	-1.0	-31.96	342.71	6.54	-25.42
CCC(CC)(NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300019799485	1	39	-1.0	-32.01	342.78	6.54	-25.47
CCC(CC)(NC(=O)C1=CC=C2SC=CC2=C1)C1=NN=N[N-]1	REAL300019799486	0	38	-1.0	-35.37	312.78	5.81	-29.56
CCC(CC)(NC(=O)C1=CC=C2SC=CC2=C1)C1=N[N-]N=N1	REAL300019799486	1	38	-1.0	-35.33	312.71	5.80	-29.53
CCC(CC)(NC(=O)C(C)OC1CCCCCC1)C1=N[N-]N=N1	REAL300019799487	0	51	-1.0	-35.45	368.85	6.18	-29.27
CCC(CC)(NC(=O)C(C)OC1CCCCCC1)C1=NN=N[N-]1	REAL300019799487	1	51	-1.0	-35.47	368.92	6.20	-29.27
CCC(CC)(NC(=O)C1=CC(NC(C)=O)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799488	0	45	-1.0	-43.56	370.65	4.36	-39.20
CCC(CC)(NC(=O)C1=CC(NC(C)=O)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799488	1	45	-1.0	-43.51	370.71	4.37	-39.14
CCC(CC)(NC(=O)C1=CC=C(C2CC2)S1)C1=N[N-]N=N1	REAL300019799489	0	39	-1.0	-35.69	319.66	5.75	-29.94
CCC(CC)(NC(=O)C1=CC=C(C2CC2)S1)C1=NN=N[N-]1	REAL300019799489	1	39	-1.0	-35.72	319.72	5.77	-29.95
CCC(CC)(NC(=O)C1=CC=CC(I)=C1C)C1=N[N-]N=N1	REAL300019799490	0	38	-1.0	-33.47	314.82	6.19	-27.28
CCC(CC)(NC(=O)C1=CC=CC(I)=C1C)C1=NN=N[N-]1	REAL300019799490	1	38	-1.0	-33.43	314.88	6.19	-27.24
CCC(CC)(NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=N[N-]N=N1	REAL300019799491	0	49	-1.0	-38.12	379.37	1.49	-36.63
CCC(CC)(NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=NN=N[N-]1	REAL300019799491	1	49	-1.0	-38.12	379.44	1.50	-36.62
CCC(CC)(NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300019799492	0	48	-1.0	-38.70	389.30	6.74	-31.96
CCC(CC)(NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300019799492	1	48	-1.0	-38.70	389.36	6.75	-31.95
CCC(CC)(NC(=O)CCCC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019799493	0	44	-1.0	-36.86	359.58	7.14	-29.72
CCC(CC)(NC(=O)CCCC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019799493	1	44	-1.0	-36.82	359.65	7.15	-29.67
CCC(CC)(NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799494	0	54	-1.0	-37.66	403.27	3.41	-34.25
CCC(CC)(NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799494	1	54	-1.0	-37.66	403.33	3.42	-34.24
CCC(CC)(NC(=O)C(C)NS(=O)(=O)C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300019799495	0	47	-1.0	-42.41	391.71	1.79	-40.62
CCC(CC)(NC(=O)C(C)NS(=O)(=O)C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300019799495	1	47	-1.0	-42.44	391.78	1.80	-40.64
CCC(CC)(NC(=O)C1=CC(F)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019799496	0	35	-1.0	-32.55	298.20	5.14	-27.41
CCC(CC)(NC(=O)C1=CC(F)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019799496	1	35	-1.0	-32.53	298.27	5.14	-27.39
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=C(C#N)C=C2C)C=C1)C1=N[N-]N=N1	REAL300019799497	0	50	-1.0	-36.75	406.31	8.43	-28.32
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=C(C#N)C=C2C)C=C1)C1=NN=N[N-]1	REAL300019799497	1	50	-1.0	-36.73	406.38	8.44	-28.29
CCC(CC)(NC(=O)CC1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL300019799498	0	41	-1.0	-48.80	326.81	4.42	-44.38
CCC(CC)(NC(=O)CC1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL300019799498	1	41	-1.0	-48.77	326.88	4.43	-44.34
CCC(CC)(NC(=O)CC1=C(OC)C=CC=C1OC)C1=N[N-]N=N1	REAL300019799499	0	46	-1.0	-39.80	356.81	3.85	-35.95
CCC(CC)(NC(=O)CC1=C(OC)C=CC=C1OC)C1=NN=N[N-]1	REAL300019799499	1	46	-1.0	-39.77	356.88	3.87	-35.90
CCC(CC)(NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019799500	0	45	-1.0	-43.71	358.54	6.29	-37.42
CCC(CC)(NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019799500	1	45	-1.0	-43.73	358.61	6.30	-37.43
CCC(CC)(NC(=O)C1=CC=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL300019799501	0	35	-1.0	-32.92	308.04	5.68	-27.24
CCC(CC)(NC(=O)C1=CC=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL300019799501	1	35	-1.0	-32.91	308.11	5.69	-27.22
CCC(CC)(NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019799502	0	50	-1.0	-35.73	376.70	7.44	-28.29
CCC(CC)(NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019799502	1	50	-1.0	-35.71	376.76	7.46	-28.25
CCC(CC)(NC(=O)C1=CN=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300019799503	0	44	-1.0	-34.73	340.36	3.53	-31.20
CCC(CC)(NC(=O)C1=CN=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300019799503	1	44	-1.0	-34.65	340.29	3.52	-31.13
CCC(CC)(NC(=O)COC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300019799504	0	45	-1.0	-39.65	358.24	3.84	-35.81
CCC(CC)(NC(=O)COC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300019799504	1	45	-1.0	-39.63	358.31	3.85	-35.78
CCC(CC)(NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=N[N-]N=N1	REAL300019799505	0	40	-1.0	-36.14	331.83	5.70	-30.44
CCC(CC)(NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=NN=N[N-]1	REAL300019799505	1	40	-1.0	-36.14	331.89	5.71	-30.43
CCC(CC)(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019799506	0	48	-1.0	-42.50	370.99	-0.99	-43.49
CCC(CC)(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019799506	1	48	-1.0	-42.44	371.06	-0.97	-43.41
CCC(CC)(NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=N[N-]N=N1	REAL300019799507	0	41	-1.0	-38.11	331.83	3.81	-34.30
CCC(CC)(NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=NN=N[N-]1	REAL300019799507	1	41	-1.0	-38.12	331.89	3.83	-34.29
CCC(CC)(NC(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL300019799508	0	47	-1.0	-41.32	375.00	7.94	-33.38
CCC(CC)(NC(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL300019799508	1	47	-1.0	-41.28	375.07	7.95	-33.33
CCC(CC)(NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019799509	0	50	-1.0	-38.43	384.71	7.27	-31.16
CCC(CC)(NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019799509	1	50	-1.0	-38.43	384.78	7.28	-31.15
CCC(CC)(NC(=O)CCCCCOC1CCCC(C)C1)C1=N[N-]N=N1	REAL300019799510	0	60	-1.0	-35.86	441.17	7.92	-27.94
CCC(CC)(NC(=O)CCCCCOC1CCCC(C)C1)C1=NN=N[N-]1	REAL300019799510	1	60	-1.0	-35.87	441.23	7.94	-27.93
CCC(CC)(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799511	0	52	-1.0	-37.52	403.84	-0.26	-37.78
CCC(CC)(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799511	1	52	-1.0	-37.51	403.90	-0.25	-37.76
CCC(CC)(NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=N[N-]N=N1	REAL300019799512	0	49	-1.0	-38.90	370.61	3.83	-35.07
CCC(CC)(NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=NN=N[N-]1	REAL300019799512	1	49	-1.0	-38.91	370.68	3.83	-35.08
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=NN=N[N-]1	REAL300019799513	0	45	-1.0	-46.13	368.11	6.98	-39.15
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=N[N-]N=N1	REAL300019799513	1	45	-1.0	-46.14	368.04	6.97	-39.17
CCC(CC)(NC(=O)C(O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799514	0	45	-1.0	-35.40	353.18	4.48	-30.92
CCC(CC)(NC(=O)C(O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799514	1	45	-1.0	-35.38	353.24	4.49	-30.89
CCC(CC)(NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019799515	0	39	-1.0	-37.47	315.41	3.64	-33.83
CCC(CC)(NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019799515	1	39	-1.0	-37.49	315.48	3.65	-33.84
CCC(CC)(NC(=O)C(O)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL300019799516	0	43	-1.0	-37.32	337.59	2.34	-34.98
CCC(CC)(NC(=O)C(O)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL300019799516	1	43	-1.0	-37.39	337.65	2.35	-35.04
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019799517	0	37	-1.0	-33.77	315.66	5.61	-28.16
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019799517	1	37	-1.0	-33.76	315.73	5.61	-28.15
CCC(CC)(NC(=O)CC(C)(C)CC(=O)OC)C1=N[N-]N=N1	REAL300019799518	0	46	-1.0	-38.38	339.85	4.54	-33.84
CCC(CC)(NC(=O)CC(C)(C)CC(=O)OC)C1=NN=N[N-]1	REAL300019799518	1	46	-1.0	-38.37	339.91	4.56	-33.81
CCC(CC)(NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL300019799519	0	41	-1.0	-41.99	324.22	5.77	-36.22
CCC(CC)(NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL300019799519	1	41	-1.0	-42.02	324.15	5.76	-36.26
CCN1N=CC=C1C=CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799520	0	42	-1.0	-36.64	334.62	4.14	-32.50
CCN1N=CC=C1C=CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799520	1	42	-1.0	-36.57	334.68	4.16	-32.41
CCC(CC)(NC(=O)C1=NC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL300019799521	0	34	-1.0	-39.77	294.57	3.25	-36.52
CCC(CC)(NC(=O)C1=NC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL300019799521	1	34	-1.0	-39.82	294.50	3.24	-36.58
CCC(CC)(NC(=O)CC1=CC=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL300019799522	0	44	-1.0	-40.01	354.53	5.89	-34.12
CCC(CC)(NC(=O)CC1=CC=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL300019799522	1	44	-1.0	-40.02	354.59	5.89	-34.13
CCC(CC)(NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=NN=N[N-]1	REAL300019799523	0	45	-1.0	-34.70	350.62	3.79	-30.91
CCC(CC)(NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=N[N-]N=N1	REAL300019799523	1	45	-1.0	-34.71	350.55	3.79	-30.92
CCC(CC)(NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300019799524	0	47	-1.0	-37.78	358.93	5.12	-32.66
CCC(CC)(NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300019799524	1	47	-1.0	-37.76	359.00	5.13	-32.63
CCC(CC)(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019799525	0	61	-1.0	-39.21	445.38	6.77	-32.44
CCC(CC)(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019799525	1	61	-1.0	-39.17	445.44	6.78	-32.39
CCC(CC)(NC(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=N[N-]N=N1	REAL300019799526	0	57	-1.0	-39.15	430.46	9.01	-30.14
CCC(CC)(NC(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=NN=N[N-]1	REAL300019799526	1	57	-1.0	-39.17	430.52	9.02	-30.15
CCC(CC)(NC(=O)C1=CC=C(F)C(SC)=C1)C1=N[N-]N=N1	REAL300019799527	0	39	-1.0	-33.83	321.78	5.48	-28.35
CCC(CC)(NC(=O)C1=CC=C(F)C(SC)=C1)C1=NN=N[N-]1	REAL300019799527	1	39	-1.0	-33.80	321.85	5.50	-28.30
CCC(CC)(NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019799528	0	39	-1.0	-33.80	341.55	4.06	-29.74
CCC(CC)(NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019799528	1	39	-1.0	-33.83	341.62	4.08	-29.75
CCC(CC)(NC(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL300019799529	0	35	-2.0	-88.62	300.75	4.58	-84.04
CCC(CC)(NC(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL300019799529	1	35	-2.0	-88.57	300.81	4.58	-83.99
CCC(CC)(NC(=O)C1=CC=C2N=CNC2=N1)C1=NN=N[N-]1	REAL300019799530	0	37	-1.0	-40.84	297.90	3.52	-37.32
CCC(CC)(NC(=O)C1=CC=C2N=CN=C2N1)C1=NN=N[N-]1	REAL300019799530	1	37	-1.0	-35.38	295.53	3.53	-31.85
CCC(CC)(NC(=O)C1=CC=C2N=CNC2=N1)C1=N[N-]N=N1	REAL300019799530	1	37	-1.0	-40.80	297.83	3.51	-37.29
CCC(CC)(NC(=O)C1=CC=C2N=CN=C2N1)C1=N[N-]N=N1	REAL300019799530	1	37	-1.0	-35.36	295.47	3.52	-31.84
CCC(CC)(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019799531	0	50	-1.0	-40.49	395.12	6.19	-34.30
CCC(CC)(NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019799531	1	50	-1.0	-40.50	395.19	6.21	-34.29
CCC(CC)(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019799532	0	47	-1.0	-38.99	373.38	5.66	-33.33
CCC(CC)(NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019799532	1	47	-1.0	-38.99	373.44	5.68	-33.31
CCC(CC)(NC(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1O)C1=N[N-]N=N1	REAL300019799533	0	54	-1.0	-42.27	410.29	2.52	-39.75
CCC(CC)(NC(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1O)C1=NN=N[N-]1	REAL300019799533	1	54	-1.0	-42.28	410.35	2.52	-39.76
CCC(CC)(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1O)C1=N[N-]N=N1	REAL300019799534	0	53	-1.0	-39.31	405.84	3.18	-36.13
CCC(CC)(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1O)C1=NN=N[N-]1	REAL300019799534	1	53	-1.0	-39.32	405.91	3.19	-36.13
CCC(CC)(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1[O-])C1=N[N-]N=N1	REAL300019799534	1	52	-2.0	-101.87	402.28	4.19	-97.68
CCC(CC)(NC(=O)C1=CC=C2N=S=NC2=C1)C1=N[N-]N=N1	REAL300019799535	0	36	-1.0	-35.71	299.95	2.77	-32.94
CCC(CC)(NC(=O)C1=CC=C2N=S=NC2=C1)C1=NN=N[N-]1	REAL300019799535	1	36	-1.0	-35.70	300.02	2.79	-32.91
CCC(CC)(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=N[N-]N=N1	REAL300019799536	0	40	-1.0	-41.02	333.79	-0.42	-41.44
CCC(CC)(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=NN=N[N-]1	REAL300019799536	1	40	-1.0	-40.96	333.85	-0.42	-41.38
CCC(CC)(NC(=O)C1=NOC(CN(C)C)=C1)C1=N[N-]N=N1	REAL300019799537	0	42	-1.0	-37.47	330.95	1.46	-36.01
CCC(CC)(NC(=O)C1=NOC(CN(C)C)=C1)C1=NN=N[N-]1	REAL300019799537	1	42	-1.0	-37.48	331.02	1.46	-36.02
CCC(CC)(NC(=O)CSCC(F)(F)F)C1=N[N-]N=N1	REAL300019799538	0	35	-1.0	-36.58	303.93	3.89	-32.69
CCC(CC)(NC(=O)CSCC(F)(F)F)C1=NN=N[N-]1	REAL300019799538	1	35	-1.0	-36.58	303.99	3.90	-32.68
CCC(CC)(NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=NN=N[N-]1	REAL300019799539	0	40	-1.0	-36.60	337.70	3.57	-33.03
CCC(CC)(NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=N[N-]N=N1	REAL300019799539	1	40	-1.0	-36.60	337.64	3.55	-33.05
CCC(CC)(NC(=O)COC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019799540	0	39	-1.0	-38.19	329.83	5.51	-32.68
CCC(CC)(NC(=O)COC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019799540	1	39	-1.0	-38.20	329.90	5.52	-32.68
CCC(CC)(NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019799541	0	48	-1.0	-34.64	365.47	4.11	-30.53
CCC(CC)(NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019799541	1	48	-1.0	-34.62	365.53	4.13	-30.49
CCC(CC)(NC(=O)C1=CC=CC(Br)=N1)C1=NN=N[N-]1	REAL300019799542	0	34	-1.0	-39.29	294.60	3.24	-36.05
CCC(CC)(NC(=O)C1=CC=CC(Br)=N1)C1=N[N-]N=N1	REAL300019799542	1	34	-1.0	-39.28	294.54	3.22	-36.06
CCC(CC)(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019799543	0	37	-2.0	-91.80	306.34	5.20	-86.60
CCC(CC)(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019799543	1	37	-2.0	-91.74	306.41	5.20	-86.54
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=NN=N[N-]1	REAL300019799544	0	44	-1.0	-42.68	359.30	6.96	-35.72
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=N[N-]N=N1	REAL300019799544	1	44	-1.0	-42.73	359.23	6.96	-35.77
CCOC1=CC(C=CC(=O)NC(CC)(CC)C2=N[N-]N=N2)=CC=C1O	REAL300019799545	0	47	-1.0	-37.87	372.43	3.71	-34.16
CCOC1=CC(C=CC(=O)NC(CC)(CC)C2=NN=N[N-]2)=CC=C1O	REAL300019799545	1	47	-1.0	-37.81	372.50	3.73	-34.08
CCC(CC)(NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=N[N-]N=N1	REAL300019799546	0	40	-1.0	-44.68	342.31	3.39	-41.29
CCC(CC)(NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=NN=N[N-]1	REAL300019799546	1	40	-1.0	-44.65	342.38	3.40	-41.25
CCC(CC)(NC(=O)C1=CC(C)=C(Br)C=C1C)C1=N[N-]N=N1	REAL300019799547	0	41	-1.0	-32.92	330.55	6.41	-26.51
CCC(CC)(NC(=O)C1=CC(C)=C(Br)C=C1C)C1=NN=N[N-]1	REAL300019799547	1	41	-1.0	-32.94	330.62	6.42	-26.52
CCC(CC)(NC(=O)C=CC1=CC=C(F)C(OC)=C1)C1=N[N-]N=N1	REAL300019799548	0	43	-1.0	-37.11	346.08	5.02	-32.09
CCC(CC)(NC(=O)C=CC1=CC=C(F)C(OC)=C1)C1=NN=N[N-]1	REAL300019799548	1	43	-1.0	-37.09	346.15	5.04	-32.05
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300019799549	0	44	-1.0	-50.27	364.86	6.75	-43.52
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300019799549	1	44	-1.0	-50.29	364.79	6.75	-43.54
CCC(CC)(NC(=O)C1=CC(C)=C(F)C(C)=C1)C1=N[N-]N=N1	REAL300019799550	0	41	-1.0	-33.37	322.03	5.90	-27.47
CCC(CC)(NC(=O)C1=CC(C)=C(F)C(C)=C1)C1=NN=N[N-]1	REAL300019799550	1	41	-1.0	-33.38	322.10	5.90	-27.48
CCC(CC)(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019799551	0	59	-1.0	-38.18	432.27	6.75	-31.43
CCC(CC)(NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019799551	1	59	-1.0	-38.20	432.33	6.77	-31.43
CCC(CC)(NC(=O)C1=NC(C)=C(C)NC1=O)C1=N[N-]N=N1	REAL300019799552	0	40	-1.0	-49.66	315.88	1.95	-47.71
CCC(CC)(NC(=O)C1=NC(C)=C(C)NC1=O)C1=NN=N[N-]1	REAL300019799552	1	40	-1.0	-49.66	315.95	1.96	-47.70
CCC(CC)(NC(=O)CC(O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019799553	0	42	-1.0	-38.31	335.19	3.60	-34.71
CCC(CC)(NC(=O)CC(O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019799553	1	42	-1.0	-38.31	335.26	3.62	-34.69
CCC(CC)(NC(=O)C1=CN=C(C(=O)OC)C=N1)C1=NN=N[N-]1	REAL300019799554	0	39	-1.0	-35.37	322.96	1.59	-33.78
CCC(CC)(NC(=O)C1=CN=C(C(=O)OC)C=N1)C1=N[N-]N=N1	REAL300019799554	1	39	-1.0	-35.34	322.89	1.58	-33.76
CCC(CC)(NC(=O)CCC1(C)CCC(=O)N1)C1=N[N-]N=N1	REAL300019799555	0	45	-1.0	-40.40	340.71	2.16	-38.24
CCC(CC)(NC(=O)CCC1(C)CCC(=O)N1)C1=NN=N[N-]1	REAL300019799555	1	45	-1.0	-40.39	340.78	2.17	-38.22
CCC(CC)(NC(=O)C1=CC=CN2C(=O)NN=C12)C1=N[N-]N=N1	REAL300019799556	0	38	-1.0	-44.59	306.62	3.12	-41.47
CCC(CC)(NC(=O)C1=CC=CN2C(=O)NN=C12)C1=NN=N[N-]1	REAL300019799556	1	38	-1.0	-44.57	306.69	3.14	-41.43
CCC(CC)(NC(=O)C1=CC(Cl)=CC=C1C)C1=N[N-]N=N1	REAL300019799557	0	38	-1.0	-34.96	307.86	5.74	-29.22
CCC(CC)(NC(=O)C1=CC(Cl)=CC=C1C)C1=NN=N[N-]1	REAL300019799557	1	38	-1.0	-34.97	307.92	5.74	-29.23
CCC(CC)(NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019799558	0	45	-1.0	-44.16	370.09	2.38	-41.78
CCC(CC)(NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019799558	1	45	-1.0	-44.18	370.16	2.40	-41.78
CCC(CC)(NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300019799559	0	40	-1.0	-36.03	330.23	1.64	-34.39
CCC(CC)(NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300019799559	1	40	-1.0	-36.04	330.16	1.65	-34.39
CCC(CC)(NC(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799560	0	55	-1.0	-37.65	419.40	5.62	-32.03
CCC(CC)(NC(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799560	1	55	-1.0	-37.63	419.47	5.63	-32.00
CCC(CC)(NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=NN=N[N-]1	REAL300019799561	0	37	-1.0	-40.88	321.44	3.93	-36.95
CCC(CC)(NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=N[N-]N=N1	REAL300019799561	1	37	-1.0	-40.88	321.37	3.91	-36.97
CCC(CC)(NC(=O)C1=C(C)N=C(C(C)(C)C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019799562	0	53	-1.0	-36.31	412.60	7.85	-28.46
CCC(CC)(NC(=O)C1=C(C)N=C(C(C)(C)C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019799562	1	53	-1.0	-36.33	412.66	7.85	-28.48
CCC(CC)(NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1=N[N-]N=N1	REAL300019799563	0	50	-1.0	-33.83	357.56	6.41	-27.42
CCC(CC)(NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1=NN=N[N-]1	REAL300019799563	1	50	-1.0	-33.84	357.63	6.43	-27.41
CCC(CC)(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=N[N-]N=N1	REAL300019799564	0	42	-1.0	-33.86	348.57	5.38	-28.48
CCC(CC)(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=NN=N[N-]1	REAL300019799564	1	42	-1.0	-33.82	348.64	5.39	-28.43
CCC(CC)(NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019799565	0	44	-1.0	-34.09	358.61	7.02	-27.07
CCC(CC)(NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019799565	1	44	-1.0	-34.12	358.67	7.03	-27.09
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799566	0	47	-1.0	-44.25	369.71	3.46	-40.79
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799566	1	47	-1.0	-44.24	369.77	3.46	-40.78
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=N[N-]N=N1	REAL300019799567	0	47	-1.0	-44.45	370.03	3.17	-41.28
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=NN=N[N-]1	REAL300019799567	1	47	-1.0	-44.46	370.10	3.19	-41.27
CCC(CC)(NC(=O)C1=CC2=CC(Br)=CC(C)=C2O1)C1=N[N-]N=N1	REAL300019799568	0	41	-1.0	-34.69	348.98	6.23	-28.46
CCC(CC)(NC(=O)C1=CC2=CC(Br)=CC(C)=C2O1)C1=NN=N[N-]1	REAL300019799568	1	41	-1.0	-34.73	349.04	6.24	-28.49
CCC(CC)(NC(=O)C1=NC2=CC=CC=C2C(OCCOC)=C1)C1=NN=N[N-]1	REAL300019799569	0	51	-1.0	-41.18	403.68	4.47	-36.71
CCC(CC)(NC(=O)C1=NC2=CC=CC=C2C(OCCOC)=C1)C1=N[N-]N=N1	REAL300019799569	1	51	-1.0	-41.20	403.61	4.46	-36.74
CCN1C=C(C(=O)C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=N1	REAL300019799570	0	40	-1.0	-38.22	322.14	3.05	-35.17
CCN1C=C(C(=O)C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=N1	REAL300019799570	1	40	-1.0	-38.22	322.21	3.05	-35.17
CCC(CC)(NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019799571	0	45	-1.0	-35.59	371.51	7.63	-27.96
CCC(CC)(NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019799571	1	45	-1.0	-35.59	371.57	7.64	-27.95
CCC(CC)(NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019799572	0	42	-1.0	-35.51	339.76	6.73	-28.78
CCC(CC)(NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019799572	1	42	-1.0	-35.50	339.83	6.75	-28.75
CCC(CC)(NC(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019799573	0	44	-1.0	-37.71	370.02	6.35	-31.36
CCC(CC)(NC(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019799573	1	44	-1.0	-37.70	369.96	6.34	-31.36
CCC(CC)(NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=N[N-]N=N1	REAL300019799574	0	41	-1.0	-35.01	328.18	5.01	-30.00
CCC(CC)(NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=NN=N[N-]1	REAL300019799574	1	41	-1.0	-34.95	328.24	5.03	-29.92
CCC(CC)(NC(=O)C1COC2=CC=C(F)C=C2C1)C1=N[N-]N=N1	REAL300019799575	0	43	-1.0	-33.81	336.90	5.02	-28.79
CCC(CC)(NC(=O)C1COC2=CC=C(F)C=C2C1)C1=NN=N[N-]1	REAL300019799575	1	43	-1.0	-33.81	336.97	5.04	-28.77
CCC(CC)(NC(=O)C1=CC=CC(C)=C1Cl)C1=N[N-]N=N1	REAL300019799576	0	38	-1.0	-36.43	306.31	5.64	-30.79
CCC(CC)(NC(=O)C1=CC=CC(C)=C1Cl)C1=NN=N[N-]1	REAL300019799576	1	38	-1.0	-36.44	306.37	5.64	-30.80
CCC(=O)C1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CC=C1F	REAL300019799577	0	43	-1.0	-36.10	343.43	5.81	-30.29
CCC(=O)C1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CC=C1F	REAL300019799577	1	43	-1.0	-36.14	343.50	5.82	-30.32
CCC(CC)(NC(=O)C1(C)COC(C)(C)OC1)C1=N[N-]N=N1	REAL300019799578	0	46	-1.0	-38.58	335.55	3.44	-35.14
CCC(CC)(NC(=O)C1(C)COC(C)(C)OC1)C1=NN=N[N-]1	REAL300019799578	1	46	-1.0	-38.55	335.61	3.44	-35.11
CCC(C)(C)C1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019799579	0	50	-1.0	-35.30	366.17	7.22	-28.08
CCC(C)(C)C1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019799579	1	50	-1.0	-35.27	366.24	7.23	-28.04
CCC(CC)(NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=N[N-]N=N1	REAL300019799580	0	35	-1.0	-33.23	311.15	5.64	-27.59
CCC(CC)(NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=NN=N[N-]1	REAL300019799580	1	35	-1.0	-33.28	311.21	5.64	-27.64
CCC(CC)(NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=NN=N[N-]1	REAL300019799581	0	37	-1.0	-40.03	320.74	4.07	-35.96
CCC(CC)(NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=N[N-]N=N1	REAL300019799581	1	37	-1.0	-40.04	320.67	4.07	-35.97
CCC(CC)(NC(=O)C1=CSC(C2CCCO2)=N1)C1=N[N-]N=N1	REAL300019799582	0	42	-1.0	-39.37	341.84	2.45	-36.92
CCC(CC)(NC(=O)C1=CSC(C2CCCO2)=N1)C1=NN=N[N-]1	REAL300019799582	1	42	-1.0	-39.33	341.91	2.46	-36.87
CCC(CC)(NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019799583	0	38	-1.0	-41.84	329.14	1.06	-40.78
CCC(CC)(NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019799583	1	38	-1.0	-41.86	329.21	1.06	-40.80
CCC(CC)(NC(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019799584	0	40	-1.0	-32.50	337.04	6.26	-26.24
CCC(CC)(NC(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019799584	1	40	-1.0	-32.54	337.11	6.26	-26.28
CCC(CC)(NC(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019799585	0	47	-1.0	-35.96	396.81	8.46	-27.50
CCC(CC)(NC(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019799585	1	47	-1.0	-35.94	396.87	8.47	-27.47
CCC(CC)(NC(=O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300019799586	0	37	-1.0	-38.91	310.53	4.07	-34.84
CCC(CC)(NC(=O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300019799586	1	37	-1.0	-38.91	310.46	4.06	-34.85
CCOC1=CC=CC=C1C(F)(F)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799587	0	45	-1.0	-38.06	357.02	6.29	-31.77
CCOC1=CC=CC=C1C(F)(F)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799587	1	45	-1.0	-38.06	357.09	6.30	-31.76
CCC(CC)(NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=N[N-]N=N1	REAL300019799588	0	50	-1.0	-37.85	377.98	5.07	-32.78
CCC(CC)(NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=NN=N[N-]1	REAL300019799588	1	50	-1.0	-37.87	378.04	5.09	-32.78
CCC(CC)(NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=N[N-]N=N1	REAL300019799589	0	44	-1.0	-42.74	360.75	4.21	-38.53
CCC(CC)(NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=NN=N[N-]1	REAL300019799589	1	44	-1.0	-42.74	360.82	4.22	-38.52
CCC(CC)(NC(=O)C1=COC(S(=O)(=O)NC)=C1)C1=N[N-]N=N1	REAL300019799590	0	40	-1.0	-40.16	338.26	-1.36	-41.52
CCC(CC)(NC(=O)C1=COC(S(=O)(=O)NC)=C1)C1=NN=N[N-]1	REAL300019799590	1	40	-1.0	-40.18	338.32	-1.35	-41.53
CCC(CC)(NC(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=N[N-]N=N1	REAL300019799591	0	44	-1.0	-45.68	352.63	6.30	-39.38
CCC(CC)(NC(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=NN=N[N-]1	REAL300019799591	1	44	-1.0	-45.68	352.69	6.31	-39.37
CCC(CC)(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=N[N-]N=N1	REAL300019799592	0	46	-1.0	-36.05	377.78	5.94	-30.11
CCC(CC)(NC(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=NN=N[N-]1	REAL300019799592	1	46	-1.0	-36.08	377.84	5.96	-30.12
CCC(CC)(NC(=O)C1=C2C=C(C)C=CN2N=C1)C1=NN=N[N-]1	REAL300019799593	0	41	-1.0	-41.78	324.67	4.86	-36.92
CCC(CC)(NC(=O)C1=C2C=C(C)C=CN2N=C1)C1=N[N-]N=N1	REAL300019799593	1	41	-1.0	-41.77	324.60	4.84	-36.93
CCC(CC)(NC(=O)C1=NN(CCO)C(=O)CC1)C1=N[N-]N=N1	REAL300019799594	0	43	-1.0	-38.69	340.69	-0.80	-39.49
CCC(CC)(NC(=O)C1=NN(CCO)C(=O)CC1)C1=NN=N[N-]1	REAL300019799594	1	43	-1.0	-38.71	340.76	-0.78	-39.49
CCC(CC)(NC(=O)C1CCC(C(=O)OC)CC1)C1=N[N-]N=N1	REAL300019799595	0	47	-1.0	-36.50	356.31	5.33	-31.17
CCC(CC)(NC(=O)C1CCC(C(=O)OC)CC1)C1=NN=N[N-]1	REAL300019799595	1	47	-1.0	-36.47	356.37	5.34	-31.13
CCC(CC)(NC(=O)C(C)CN1CCOCC1)C1=N[N-]N=N1	REAL300019799596	0	47	-1.0	-34.63	347.87	1.67	-32.96
CCC(CC)(NC(=O)C(C)CN1CCOCC1)C1=NN=N[N-]1	REAL300019799596	1	47	-1.0	-34.64	347.94	1.68	-32.96
CCC(CC)(NC(=O)C(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300019799596	1	48	0.0	-55.03	347.44	3.59	-51.44
CCC(CC)(NC(=O)C1=CN=CC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL300019799597	0	40	-1.0	-36.50	325.85	3.33	-33.17
CCC(CC)(NC(=O)C1=CN=CC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL300019799597	1	40	-1.0	-36.47	325.79	3.31	-33.16
CCC(CC)(NC(=O)CCS(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL300019799598	0	42	-1.0	-40.54	339.09	0.18	-40.36
CCC(CC)(NC(=O)CCS(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL300019799598	1	42	-1.0	-40.51	339.15	0.19	-40.32
CCC(CC)(NC(=O)CCC(=O)N1CCC(O)CC1)C1=N[N-]N=N1	REAL300019799599	0	49	-1.0	-40.18	370.31	1.10	-39.08
CCC(CC)(NC(=O)CCC(=O)N1CCC(O)CC1)C1=NN=N[N-]1	REAL300019799599	1	49	-1.0	-40.22	370.37	1.12	-39.10
CCC(CC)(NC(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019799600	0	37	-1.0	-44.79	305.34	3.68	-41.11
CCC(CC)(NC(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019799600	1	37	-1.0	-44.75	305.27	3.67	-41.08
CCC(CC)(NC(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=N[N-]N=N1	REAL300019799601	0	48	-1.0	-49.31	387.42	1.69	-47.62
CCC(CC)(NC(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=NN=N[N-]1	REAL300019799601	1	48	-1.0	-49.37	387.49	1.70	-47.67
CCC(CC)(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=NN=N[N-]1	REAL300019799602	0	47	-1.0	-41.15	372.72	8.39	-32.76
CCC(CC)(NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=N[N-]N=N1	REAL300019799602	1	47	-1.0	-41.16	372.66	8.38	-32.78
CCC(CC)(NC(=O)C1=NC=CC2=C(S(N)(=O)=O)C=CC=C21)C1=NN=N[N-]1	REAL300019799603	0	45	-1.0	-42.30	363.50	-0.05	-42.35
CCC(CC)(NC(=O)C1=NC=CC2=C(S(N)(=O)=O)C=CC=C21)C1=N[N-]N=N1	REAL300019799603	1	45	-1.0	-42.30	363.43	-0.06	-42.36
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL300019799604	0	37	-2.0	-82.36	308.50	4.61	-77.75
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL300019799604	1	37	-2.0	-82.34	308.57	4.61	-77.73
CCC(CC)(NC(=O)C1=CC=C(Br)C=C1O)C1=N[N-]N=N1	REAL300019799605	0	36	-1.0	-34.51	305.18	3.55	-30.96
CCC(CC)(NC(=O)C1=CC=C(Br)C=C1O)C1=NN=N[N-]1	REAL300019799605	1	36	-1.0	-34.55	305.25	3.56	-30.99
CCC(CC)(NC(=O)C1=CC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019799605	1	35	-2.0	-88.28	301.61	4.56	-83.72
CCC(CC)(NC(=O)C1=CC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019799605	1	35	-2.0	-88.30	301.68	4.57	-83.73
CCC(CC)(NC(=O)C1=CC2=C(C=C1O)OCO2)C1=N[N-]N=N1	REAL300019799606	0	39	-1.0	-37.81	310.71	1.49	-36.32
CCC(CC)(NC(=O)C1=CC2=C(C=C1O)OCO2)C1=NN=N[N-]1	REAL300019799606	1	39	-1.0	-37.81	310.78	1.50	-36.31
CCC1=CC=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1O	REAL300019799607	0	42	-1.0	-37.13	325.59	4.39	-32.74
CCC1=CC=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1O	REAL300019799607	1	42	-1.0	-37.13	325.65	4.39	-32.74
CCC(CC)(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019799608	0	41	-2.0	-92.08	340.32	6.56	-85.52
CCC(CC)(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019799608	1	41	-2.0	-92.08	340.39	6.57	-85.51
CCC(CC)(NC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019799608	1	42	-1.0	-37.81	343.89	5.56	-32.25
CCC(CC)(NC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019799608	1	42	-1.0	-37.82	343.95	5.57	-32.25
CCC(CC)(NC(=O)C1=CC=C(C)C(O)=C1O)C1=N[N-]N=N1	REAL300019799609	0	40	-1.0	-38.89	315.45	1.22	-37.67
CCC(CC)(NC(=O)C1=CC=C(C)C(O)=C1O)C1=NN=N[N-]1	REAL300019799609	1	40	-1.0	-38.89	315.52	1.24	-37.65
CCC(CC)(NC(=O)C1=CC=C(C)C(C)=C1O)C1=N[N-]N=N1	REAL300019799610	0	42	-1.0	-37.76	321.71	4.06	-33.70
CCC(CC)(NC(=O)C1=CC=C(C)C(C)=C1O)C1=NN=N[N-]1	REAL300019799610	1	42	-1.0	-37.78	321.78	4.08	-33.70
CCC(CC)(NC(=O)C1=CC=C(C(C)C)C=C1O)C1=N[N-]N=N1	REAL300019799611	0	45	-1.0	-36.62	344.02	4.85	-31.77
CCC(CC)(NC(=O)C1=CC=C(C(C)C)C=C1O)C1=NN=N[N-]1	REAL300019799611	1	45	-1.0	-36.59	344.09	4.85	-31.74
CCC(CC)(NC(=O)C1=CC=C(C)N=C1Br)C1=N[N-]N=N1	REAL300019799612	0	37	-1.0	-36.08	308.89	3.80	-32.28
CCC(CC)(NC(=O)C1=CC=C(C)N=C1Br)C1=NN=N[N-]1	REAL300019799612	1	37	-1.0	-36.09	308.95	3.81	-32.28
CCCCS(=O)(=O)NCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799613	0	45	-1.0	-41.64	361.43	0.09	-41.55
CCCCS(=O)(=O)NCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799613	1	45	-1.0	-41.64	361.50	0.11	-41.53
CCC(CC)(NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL300019799614	0	41	-1.0	-39.11	329.27	4.29	-34.82
CCC(CC)(NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL300019799614	1	41	-1.0	-39.05	329.21	4.28	-34.77
C=CC(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019799615	0	45	-1.0	-34.80	349.79	6.94	-27.86
C=CC(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019799615	1	45	-1.0	-34.77	349.86	6.95	-27.82
CCC(CC)(NC(=O)CCC1=CC=CC=C1C(=O)OC)C1=N[N-]N=N1	REAL300019799616	0	47	-1.0	-40.12	368.08	6.33	-33.79
CCC(CC)(NC(=O)CCC1=CC=CC=C1C(=O)OC)C1=NN=N[N-]1	REAL300019799616	1	47	-1.0	-40.13	368.15	6.35	-33.78
CCC(CC)(NC(=O)C1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL300019799617	0	38	-1.0	-35.79	313.52	5.72	-30.07
CCC(CC)(NC(=O)C1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL300019799617	1	38	-1.0	-35.82	313.59	5.74	-30.08
CCC(CC)(NC(=O)C1=CC(NC(=O)C2=C(C)ON=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019799618	0	49	-1.0	-46.66	392.93	3.19	-43.47
CCC(CC)(NC(=O)C1=CC(NC(=O)C2=C(C)ON=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019799618	1	49	-1.0	-46.71	392.99	3.19	-43.52
CCC(CC)(NC(=O)C1=C(O)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019799619	0	36	-1.0	-39.08	302.18	1.90	-37.18
CCC(CC)(NC(=O)C1=C(O)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019799619	1	36	-1.0	-39.06	302.25	1.91	-37.15
CCC(CC)(NC(=O)C1=C([O-])C=CC=C1Cl)C1=N[N-]N=N1	REAL300019799619	1	35	-2.0	-92.46	298.54	2.58	-89.88
CCC(CC)(NC(=O)C1=C([O-])C=CC=C1Cl)C1=NN=N[N-]1	REAL300019799619	1	35	-2.0	-92.46	298.61	2.60	-89.86
CCC1=CC=C(O)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019799620	0	42	-1.0	-37.32	326.78	4.37	-32.95
CCC1=CC=C(O)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019799620	1	42	-1.0	-37.35	326.84	4.37	-32.98
CCC(CC)(NC(=O)C1=CC(C(C)C)=CC=C1O)C1=N[N-]N=N1	REAL300019799621	0	45	-1.0	-37.29	344.04	4.85	-32.44
CCC(CC)(NC(=O)C1=CC(C(C)C)=CC=C1O)C1=NN=N[N-]1	REAL300019799621	1	45	-1.0	-37.27	344.10	4.85	-32.42
CCC(CC)(NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019799622	0	52	-1.0	-39.10	408.18	8.17	-30.93
CCC(CC)(NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019799622	1	52	-1.0	-39.06	408.25	8.18	-30.88
CCC(CC)(NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019799623	0	49	-1.0	-39.34	386.69	7.39	-31.95
CCC(CC)(NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019799623	1	49	-1.0	-39.36	386.76	7.39	-31.97
CCC(CC)(NC(=O)C1=CC(C)=CC(OC)=C1O)C1=N[N-]N=N1	REAL300019799624	0	43	-1.0	-38.74	335.28	3.24	-35.50
CCC(CC)(NC(=O)C1=CC(C)=CC(OC)=C1O)C1=NN=N[N-]1	REAL300019799624	1	43	-1.0	-38.74	335.35	3.25	-35.49
CCC(CC)(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300019799625	0	42	-1.0	-40.73	353.23	6.24	-34.49
CCC(CC)(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300019799625	1	42	-1.0	-40.73	353.16	6.24	-34.49
CCC(CC)(NC(=O)CNC1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL300019799626	0	40	-1.0	-37.38	328.95	2.91	-34.47
CCC(CC)(NC(=O)CNC1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL300019799626	1	40	-1.0	-37.34	328.88	2.90	-34.44
CCC(CC)(NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=N[N-]N=N1	REAL300019799627	0	44	-1.0	-37.34	342.35	4.20	-33.14
CCC(CC)(NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=NN=N[N-]1	REAL300019799627	1	44	-1.0	-37.39	342.42	4.20	-33.19
CCC(CC)(NC(=O)C[N@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300019799628	0	45	0.0	-54.96	334.69	5.20	-49.76
CCC(CC)(NC(=O)C[N@@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300019799628	1	45	0.0	-55.37	335.34	5.11	-50.26
CCC(CC)(NC(=O)CN(C)C1CCSC1)C1=N[N-]N=N1	REAL300019799628	1	44	-1.0	-35.03	333.32	2.90	-32.13
CCC(CC)(NC(=O)CN(C)C1CCSC1)C1=NN=N[N-]1	REAL300019799628	1	44	-1.0	-34.99	333.38	2.91	-32.08
CCOC(=O)C1=C2N=CC=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)N2N=C1	REAL300019799629	0	46	-1.0	-44.47	374.54	5.32	-39.15
CCOC(=O)C1=C2N=CC=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)N2N=C1	REAL300019799629	1	46	-1.0	-44.50	374.47	5.31	-39.19
CCC(CC)(NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=NN=N[N-]1	REAL300019799630	0	41	-1.0	-46.31	333.06	0.45	-45.86
CCC(CC)(NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=N[N-]N=N1	REAL300019799630	1	41	-1.0	-46.29	333.00	0.44	-45.85
CCC(CC)(NC(=O)C1=COC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019799631	0	37	-1.0	-40.79	315.03	-2.45	-43.24
CCC(CC)(NC(=O)C1=COC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019799631	1	37	-1.0	-40.81	315.10	-2.45	-43.26
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019799632	0	41	-1.0	-43.56	332.35	6.15	-37.41
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019799632	1	41	-1.0	-43.59	332.28	6.13	-37.46
CCC(CC)(NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799633	0	53	-1.0	-36.50	408.03	9.10	-27.40
CCC(CC)(NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799633	1	53	-1.0	-36.52	408.10	9.11	-27.41
CCC(CC)(NC(=O)C1=CN=C2C=CC(C)=CN12)C1=NN=N[N-]1	REAL300019799634	0	41	-1.0	-39.87	321.96	5.53	-34.34
CCC(CC)(NC(=O)C1=CN=C2C=CC(C)=CN12)C1=N[N-]N=N1	REAL300019799634	1	41	-1.0	-39.86	321.91	5.52	-34.34
CCC(CC)(NC(=O)CC1=CC=CC=C1C(=O)OC)C1=N[N-]N=N1	REAL300019799635	0	44	-1.0	-40.72	347.67	5.48	-35.24
CCC(CC)(NC(=O)CC1=CC=CC=C1C(=O)OC)C1=NN=N[N-]1	REAL300019799635	1	44	-1.0	-40.71	347.74	5.49	-35.22
CCC(CC)(NC(=O)C1=CN=C(N(C)C)C=N1)C1=NN=N[N-]1	REAL300019799636	0	41	-1.0	-38.75	320.86	2.57	-36.18
CCC(CC)(NC(=O)C1=CN=C(N(C)C)C=N1)C1=N[N-]N=N1	REAL300019799636	1	41	-1.0	-38.77	320.79	2.57	-36.20
CCC(CC)(NC(=O)C1=CC=NC(Cl)=C1F)C1=NN=N[N-]1	REAL300019799637	0	34	-1.0	-34.45	291.28	3.30	-31.15
CCC(CC)(NC(=O)C1=CC=NC(Cl)=C1F)C1=N[N-]N=N1	REAL300019799637	1	34	-1.0	-34.43	291.22	3.31	-31.12
CCC(CC)(NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL300019799638	0	46	-1.0	-39.23	359.66	2.77	-36.46
CCC(CC)(NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL300019799638	1	46	-1.0	-39.24	359.73	2.78	-36.46
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300019799639	0	40	-1.0	-40.83	350.78	-0.05	-40.88
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300019799639	1	40	-1.0	-40.84	350.84	-0.03	-40.87
CCC(CC)(NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL300019799640	0	47	-1.0	-40.86	387.85	6.61	-34.25
CCC(CC)(NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL300019799640	1	47	-1.0	-40.86	387.91	6.62	-34.24
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300019799641	0	41	-1.0	-35.38	320.95	5.44	-29.94
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300019799641	1	41	-1.0	-35.41	321.01	5.44	-29.97
CCC(CC)(NC(=O)C(C)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019799642	0	41	-1.0	-34.38	337.73	6.29	-28.09
CCC(CC)(NC(=O)C(C)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019799642	1	41	-1.0	-34.34	337.80	6.31	-28.03
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=N[N-]N=N1	REAL300019799643	0	51	-1.0	-41.99	393.49	7.13	-34.86
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=NN=N[N-]1	REAL300019799643	1	51	-1.0	-41.97	393.56	7.14	-34.83
CCC(CC)(NC(=O)CCC1=NC(CSC)=NO1)C1=N[N-]N=N1	REAL300019799644	0	43	-1.0	-38.10	358.18	2.57	-35.53
CCC(CC)(NC(=O)CCC1=NC(CSC)=NO1)C1=NN=N[N-]1	REAL300019799644	1	43	-1.0	-38.09	358.25	2.59	-35.50
CCC(CC)(NC(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1=N[N-]N=N1	REAL300019799645	0	41	-1.0	-34.91	343.17	7.30	-27.61
CCC(CC)(NC(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1=NN=N[N-]1	REAL300019799645	1	41	-1.0	-34.92	343.24	7.31	-27.61
CCC(CC)(NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=NN=N[N-]1	REAL300019799646	0	52	-1.0	-48.15	406.05	3.74	-44.41
CCC(CC)(NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=N[N-]N=N1	REAL300019799646	1	52	-1.0	-48.17	405.98	3.72	-44.45
CCC(CC)(NC(=O)C1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019799647	0	43	-1.0	-37.15	326.94	4.71	-32.44
CCC(CC)(NC(=O)C1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019799647	1	43	-1.0	-37.06	327.00	4.73	-32.33
CCC(CC)(NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=NN=N[N-]1	REAL300019799648	0	46	-1.0	-37.03	370.57	5.30	-31.73
CCC(CC)(NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=N[N-]N=N1	REAL300019799648	1	46	-1.0	-37.05	370.51	5.29	-31.76
CCC(CC)(NC(=O)CC1=CC=CC(OCC(=O)NC)=C1)C1=N[N-]N=N1	REAL300019799649	0	49	-1.0	-47.12	389.74	4.08	-43.04
CCC(CC)(NC(=O)CC1=CC=CC(OCC(=O)NC)=C1)C1=NN=N[N-]1	REAL300019799649	1	49	-1.0	-47.14	389.80	4.09	-43.05
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=N[N-]N=N1	REAL300019799650	0	41	-1.0	-45.23	340.28	2.16	-43.07
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=NN=N[N-]1	REAL300019799650	1	41	-1.0	-45.21	340.34	2.16	-43.05
CCC(CC)(NC(=O)CCCC1(C)NC(=O)NC1=O)C1=N[N-]N=N1	REAL300019799651	0	46	-1.0	-41.96	355.92	-0.53	-42.49
CCC(CC)(NC(=O)CCCC1(C)NC(=O)NC1=O)C1=NN=N[N-]1	REAL300019799651	1	46	-1.0	-41.95	355.98	-0.51	-42.46
CCC(CC)(NC(=O)C1=CC=CC(OC(C)C)=N1)C1=NN=N[N-]1	REAL300019799652	0	44	-1.0	-37.81	347.31	3.16	-34.65
CCC(CC)(NC(=O)C1=CC=CC(OC(C)C)=N1)C1=N[N-]N=N1	REAL300019799652	1	44	-1.0	-37.78	347.25	3.15	-34.63
CCC(CC)(NC(=O)C1=CC=C(OC)C(C2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300019799653	0	48	-1.0	-38.90	374.56	6.13	-32.77
CCC(CC)(NC(=O)C1=CC=C(OC)C(C2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300019799653	1	48	-1.0	-38.96	374.49	6.11	-32.85
CCC(CC)(NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=N[N-]N=N1	REAL300019799654	0	47	-1.0	-40.04	356.49	7.66	-32.38
CCC(CC)(NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=NN=N[N-]1	REAL300019799654	1	47	-1.0	-39.99	356.53	7.67	-32.32
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=NN=N[N-]1	REAL300019799655	0	40	-1.0	-40.55	333.14	5.47	-35.08
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=N[N-]N=N1	REAL300019799655	1	40	-1.0	-40.57	333.07	5.47	-35.10
CCCOC1=CC=C(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1OCCC	REAL300019799656	0	58	-1.0	-38.39	445.95	7.76	-30.63
CCCOC1=CC=C(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1OCCC	REAL300019799656	1	58	-1.0	-38.43	446.02	7.77	-30.66
CCC(CC)(NC(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799657	0	56	-1.0	-37.14	417.47	5.71	-31.43
CCC(CC)(NC(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799657	1	56	-1.0	-37.14	417.54	5.71	-31.43
CCC(CC)(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300019799658	0	55	-1.0	-39.43	415.30	5.56	-33.87
CCC(CC)(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300019799658	1	55	-1.0	-39.48	415.36	5.57	-33.91
CCC(CC)(NC(=O)CC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300019799659	0	38	-1.0	-35.41	326.47	5.88	-29.53
CCC(CC)(NC(=O)CC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300019799659	1	38	-1.0	-35.41	326.53	5.89	-29.52
CCC(CC)(NC(=O)CC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL300019799660	0	38	-1.0	-34.54	334.66	6.24	-28.30
CCC(CC)(NC(=O)CC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL300019799660	1	38	-1.0	-34.56	334.72	6.25	-28.31
CCC(CC)(NC(=O)CC1=CC=CC=C1I)C1=N[N-]N=N1	REAL300019799661	0	38	-1.0	-35.71	323.77	6.02	-29.69
CCC(CC)(NC(=O)CC1=CC=CC=C1I)C1=NN=N[N-]1	REAL300019799661	1	38	-1.0	-35.72	323.84	6.03	-29.69
CCC(CC)(NC(=O)CC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300019799662	0	38	-1.0	-34.86	324.33	5.80	-29.06
CCC(CC)(NC(=O)CC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300019799662	1	38	-1.0	-34.85	324.39	5.81	-29.04
CCC(CC)(NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=N[N-]N=N1	REAL300019799663	0	43	-1.0	-34.40	350.83	3.78	-30.62
CCC(CC)(NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=NN=N[N-]1	REAL300019799663	1	43	-1.0	-34.41	350.90	3.78	-30.63
CCC(CC)(NC(=O)CSC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019799664	0	39	-1.0	-35.13	340.31	6.19	-28.94
CCC(CC)(NC(=O)CSC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019799664	1	39	-1.0	-35.13	340.38	6.21	-28.92
CCC(CC)(NC(=O)C1CCCC2=C1C=CS2)C1=N[N-]N=N1	REAL300019799665	0	42	-1.0	-35.64	330.74	5.75	-29.89
CCC(CC)(NC(=O)C1CCCC2=C1C=CS2)C1=NN=N[N-]1	REAL300019799665	1	42	-1.0	-35.66	330.81	5.76	-29.90
CCC(CC)(NC(=O)C1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL300019799666	0	42	-1.0	-38.13	320.58	5.31	-32.82
CCC(CC)(NC(=O)C1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL300019799666	1	42	-1.0	-38.13	320.64	5.32	-32.81
CCC(CC)(NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=N[N-]N=N1	REAL300019799667	0	47	-1.0	-42.47	376.59	4.77	-37.70
CCC(CC)(NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=NN=N[N-]1	REAL300019799667	1	47	-1.0	-42.44	376.64	4.78	-37.66
CCC(CC)(NC(=O)C1=CN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300019799668	0	40	-1.0	-35.18	325.67	3.77	-31.41
CCC(CC)(NC(=O)C1=CN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300019799668	1	40	-1.0	-35.21	325.74	3.78	-31.43
CCC(CC)(NC(=O)CC1=CC=CC(OCCOC)=C1)C1=N[N-]N=N1	REAL300019799669	0	49	-1.0	-39.73	385.48	4.62	-35.11
CCC(CC)(NC(=O)CC1=CC=CC(OCCOC)=C1)C1=NN=N[N-]1	REAL300019799669	1	49	-1.0	-39.66	385.55	4.63	-35.03
CCC(CC)(NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=N[N-]N=N1	REAL300019799670	0	45	-1.0	-34.48	365.70	3.51	-30.97
CCC(CC)(NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=NN=N[N-]1	REAL300019799670	1	45	-1.0	-34.53	365.77	3.52	-31.01
CCCCN1N=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1C	REAL300019799671	0	47	-1.0	-37.57	360.44	5.20	-32.37
CCCCN1N=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1C	REAL300019799671	1	47	-1.0	-37.61	360.50	5.20	-32.41
CCC(CC)(NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799672	0	38	-1.0	-32.47	326.88	5.97	-26.50
CCC(CC)(NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799672	1	38	-1.0	-32.49	326.95	5.97	-26.52
CCC(CC)(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300019799673	0	43	-1.0	-39.23	340.32	6.16	-33.07
CCC(CC)(NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300019799673	1	43	-1.0	-39.22	340.38	6.17	-33.05
CCC(CC)(NC(=O)C1=CC2=CC=C(C)N=C2C=C1)C1=N[N-]N=N1	REAL300019799674	0	43	-1.0	-38.06	337.74	5.53	-32.53
CCC(CC)(NC(=O)C1=CC2=CC=C(C)N=C2C=C1)C1=NN=N[N-]1	REAL300019799674	1	43	-1.0	-38.03	337.80	5.54	-32.49
CCC(CC)(NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=N[N-]N=N1	REAL300019799675	0	52	-1.0	-38.53	402.36	6.58	-31.95
CCC(CC)(NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=NN=N[N-]1	REAL300019799675	1	52	-1.0	-38.51	402.43	6.59	-31.92
CCC(CC)(NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300019799676	0	47	-1.0	-40.81	373.52	2.62	-38.19
CCC(CC)(NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300019799676	1	47	-1.0	-40.82	373.46	2.60	-38.22
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799677	0	40	-1.0	-34.38	342.76	6.11	-28.27
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799677	1	40	-1.0	-34.34	342.82	6.12	-28.22
CCC(CC)(NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019799678	0	35	-1.0	-32.27	313.08	5.68	-26.59
CCC(CC)(NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019799678	1	35	-1.0	-32.23	313.15	5.69	-26.54
CCC(CC)(NC(=O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300019799679	0	35	-1.0	-33.46	292.29	4.74	-28.72
CCC(CC)(NC(=O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300019799679	1	35	-1.0	-33.43	292.35	4.74	-28.69
CCC(CC)(NC(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=NN=N[N-]1	REAL300019799680	0	47	-1.0	-35.88	385.47	7.98	-27.90
CCC(CC)(NC(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=N[N-]N=N1	REAL300019799680	1	47	-1.0	-35.88	385.41	7.97	-27.91
CCC(CC)(NC(=O)CCCC1=C(C)C=CS1)C1=N[N-]N=N1	REAL300019799681	0	44	-1.0	-36.08	352.17	6.35	-29.73
CCC(CC)(NC(=O)CCCC1=C(C)C=CS1)C1=NN=N[N-]1	REAL300019799681	1	44	-1.0	-36.09	352.24	6.37	-29.72
C=CC(=O)N1CCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1	REAL300019799682	0	46	-1.0	-39.52	348.01	3.98	-35.54
C=CC(=O)N1CCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1	REAL300019799682	1	46	-1.0	-39.54	348.08	4.00	-35.54
CCC(CC)(NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=N[N-]N=N1	REAL300019799683	0	51	-1.0	-48.17	375.84	5.08	-43.09
CCC(CC)(NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=NN=N[N-]1	REAL300019799683	1	51	-1.0	-48.14	375.90	5.08	-43.06
CCC(CC)(NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799684	0	42	-1.0	-35.80	346.50	4.91	-30.89
CCC(CC)(NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799684	1	42	-1.0	-35.81	346.56	4.93	-30.88
CCC(CC)(NC(=O)C1=CN=C2C(=C1C)C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL300019799685	0	49	-1.0	-34.54	374.57	4.78	-29.76
CCC(CC)(NC(=O)C1=CN=C2C(=C1C)C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL300019799685	1	49	-1.0	-34.54	374.64	4.80	-29.74
CCC(CC)(NC(=O)C1=CC2=CC=CC(C)=C2N1)C1=NN=N[N-]1	REAL300019799686	0	42	-1.0	-34.99	330.10	5.16	-29.83
CCC(CC)(NC(=O)C1=CC2=CC=CC(C)=C2N1)C1=N[N-]N=N1	REAL300019799686	1	42	-1.0	-34.94	330.03	5.15	-29.79
CCC(CC)(NC(=O)C(C)CSCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799687	0	48	-1.0	-34.63	384.00	7.87	-26.76
CCC(CC)(NC(=O)C(C)CSCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799687	1	48	-1.0	-34.67	384.07	7.88	-26.79
CCC(=O)N1CCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL300019799688	0	45	-1.0	-40.60	344.55	3.49	-37.11
CCC(=O)N1CCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL300019799688	1	45	-1.0	-40.61	344.62	3.50	-37.11
CCC(CC)(NC(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019799689	0	40	-1.0	-53.23	331.88	5.76	-47.47
CCC(CC)(NC(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019799689	1	40	-1.0	-53.24	331.94	5.77	-47.47
CCC(CC)(NC(=O)C1=CC=C(SC2=CC=CC=C2C)C=C1)C1=N[N-]N=N1	REAL300019799690	0	49	-1.0	-35.39	394.81	9.10	-26.29
CCC(CC)(NC(=O)C1=CC=C(SC2=CC=CC=C2C)C=C1)C1=NN=N[N-]1	REAL300019799690	1	49	-1.0	-35.39	394.87	9.11	-26.28
CCC(CC)(NC(=O)C(C)N1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019799691	0	44	-1.0	-37.97	343.82	6.34	-31.63
CCC(CC)(NC(=O)C(C)N1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019799691	1	44	-1.0	-37.99	343.88	6.34	-31.65
CCC(CC)(NC(=O)CC1=CC=C(Cl)N=C1C)C1=N[N-]N=N1	REAL300019799692	0	40	-1.0	-37.09	329.17	4.21	-32.88
CCC(CC)(NC(=O)CC1=CC=C(Cl)N=C1C)C1=NN=N[N-]1	REAL300019799692	1	40	-1.0	-37.14	329.23	4.22	-32.92
CCC(CC)(NC(=O)C1=C(C)N(C2=CC(C)=CC=C2C)N=C1)C1=N[N-]N=N1	REAL300019799693	0	51	-1.0	-38.12	393.19	7.67	-30.45
CCC(CC)(NC(=O)C1=C(C)N(C2=CC(C)=CC=C2C)N=C1)C1=NN=N[N-]1	REAL300019799693	1	51	-1.0	-38.11	393.25	7.69	-30.42
CCC(CC)(NC(=O)C1=CC=C(C(C)C)N=C1)C1=N[N-]N=N1	REAL300019799694	0	43	-1.0	-36.10	330.96	4.49	-31.61
CCC(CC)(NC(=O)C1=CC=C(C(C)C)N=C1)C1=NN=N[N-]1	REAL300019799694	1	43	-1.0	-36.13	331.02	4.51	-31.62
CCC(CC)(NC(=O)C1CC1C1=C(C)C=CS1)C1=N[N-]N=N1	REAL300019799695	0	42	-1.0	-34.46	338.74	6.30	-28.16
CCC(CC)(NC(=O)C1CC1C1=C(C)C=CS1)C1=NN=N[N-]1	REAL300019799695	1	42	-1.0	-34.41	338.81	6.31	-28.10
CCC(CC)(NC(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL300019799696	0	38	-1.0	-38.57	329.56	3.46	-35.11
CCC(CC)(NC(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL300019799696	1	38	-1.0	-38.56	329.62	3.47	-35.09
CCC(CC)(NC(=O)CCC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300019799697	0	47	-1.0	-35.16	364.71	7.25	-27.91
CCC(CC)(NC(=O)CCC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300019799697	1	47	-1.0	-35.18	364.78	7.26	-27.92
CCC(CC)(NC(=O)CC1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL300019799698	0	41	-1.0	-37.57	334.66	6.05	-31.52
CCC(CC)(NC(=O)CC1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL300019799698	1	41	-1.0	-37.51	334.73	6.06	-31.45
CCC(CC)(NC(=O)CC1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL300019799699	0	50	-1.0	-34.24	354.30	6.27	-27.97
CCC(CC)(NC(=O)CC1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL300019799699	1	50	-1.0	-34.26	354.37	6.28	-27.98
CCC(CC)(NC(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300019799700	0	51	-1.0	-39.12	404.53	6.71	-32.41
CCC(CC)(NC(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300019799700	1	51	-1.0	-39.13	404.59	6.72	-32.41
CCC(CC)(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL300019799701	0	41	-1.0	-35.77	351.62	4.60	-31.17
CCC(CC)(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL300019799701	1	41	-1.0	-35.78	351.56	4.58	-31.20
CCC(CC)(NC(=O)C1=CC(C2CC2)=NC2=CC=C(OC)C=C21)C1=N[N-]N=N1	REAL300019799702	0	51	-1.0	-38.28	391.15	6.15	-32.13
CCC(CC)(NC(=O)C1=CC(C2CC2)=NC2=CC=C(OC)C=C21)C1=NN=N[N-]1	REAL300019799702	1	51	-1.0	-38.27	391.21	6.17	-32.10
CCC(CC)(NC(=O)C1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL300019799703	0	40	-1.0	-35.42	315.60	4.96	-30.46
CCC(CC)(NC(=O)C1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL300019799703	1	40	-1.0	-35.42	315.64	4.97	-30.45
CCC(CC)(NC(=O)CC1=CSC2=NC=CN12)C1=NN=N[N-]1	REAL300019799704	0	38	-1.0	-39.85	317.48	4.73	-35.12
CCC(CC)(NC(=O)CC1=CSC2=NC=CN12)C1=N[N-]N=N1	REAL300019799704	1	38	-1.0	-39.83	317.42	4.72	-35.11
CCC(CC)(NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019799705	0	53	-1.0	-39.92	397.66	3.98	-35.94
CCC(CC)(NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019799705	1	53	-1.0	-39.92	397.72	3.99	-35.93
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL300019799706	0	42	-1.0	-37.82	333.82	3.31	-34.51
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL300019799706	1	42	-1.0	-37.83	333.89	3.32	-34.51
CCC(CC)(NC(=O)C1CCC2=NN=C(C)N2C1)C1=N[N-]N=N1	REAL300019799707	0	44	-1.0	-38.68	335.85	5.10	-33.58
CCC(CC)(NC(=O)C1CCC2=NN=C(C)N2C1)C1=NN=N[N-]1	REAL300019799707	1	44	-1.0	-38.67	335.92	5.11	-33.56
CCC(CC)(NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300019799708	0	51	-1.0	-35.57	391.50	8.32	-27.25
CCC(CC)(NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300019799708	1	51	-1.0	-35.59	391.57	8.34	-27.25
CCSC1=CC=C(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019799709	0	45	-1.0	-36.37	362.18	6.98	-29.39
CCSC1=CC=C(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019799709	1	45	-1.0	-36.38	362.24	7.00	-29.38
CCC(CC)(NC(=O)CC1=CC=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300019799710	0	38	-1.0	-35.67	326.73	5.90	-29.77
CCC(CC)(NC(=O)CC1=CC=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300019799710	1	38	-1.0	-35.68	326.79	5.91	-29.77
CCC(CC)(NC(=O)C1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300019799711	0	38	-1.0	-33.22	308.64	5.62	-27.60
CCC(CC)(NC(=O)C1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300019799711	1	38	-1.0	-33.21	308.71	5.64	-27.57
CCC(CC)(NC(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019799712	0	56	-1.0	-39.97	417.60	4.53	-35.44
CCC(CC)(NC(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019799712	1	56	-1.0	-39.97	417.66	4.54	-35.43
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL300019799713	0	39	-1.0	-36.52	329.79	5.47	-31.05
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL300019799713	1	39	-1.0	-36.52	329.85	5.47	-31.05
CCC(CC)(NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019799714	0	48	-1.0	-40.03	377.93	4.16	-35.87
CCC(CC)(NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019799714	1	48	-1.0	-40.00	378.00	4.17	-35.83
CCC(CC)(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1C)C1=N[N-]N=N1	REAL300019799715	0	60	-1.0	-37.01	448.11	8.59	-28.42
CCC(CC)(NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1C)C1=NN=N[N-]1	REAL300019799715	1	60	-1.0	-37.04	448.17	8.60	-28.44
CCC(CC)(NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300019799716	0	52	-1.0	-38.02	397.40	7.42	-30.60
CCC(CC)(NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300019799716	1	52	-1.0	-38.04	397.46	7.44	-30.60
CCC(CC)(NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019799717	0	54	-1.0	-34.65	379.87	7.25	-27.40
CCC(CC)(NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019799717	1	54	-1.0	-34.63	379.94	7.26	-27.37
CCC(CC)(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NN1)C1=N[N-]N=N1	REAL300019799718	0	46	-1.0	-36.97	366.04	3.91	-33.06
CCC(CC)(NC(=O)C1=CC(C2=CC=CC(OC)=C2)=NN1)C1=NN=N[N-]1	REAL300019799718	1	46	-1.0	-37.00	366.10	3.90	-33.10
CCC(CC)(NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300019799719	0	53	-1.0	-34.72	403.09	8.61	-26.11
CCC(CC)(NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300019799719	1	53	-1.0	-34.73	403.16	8.62	-26.11
CCC(CC)(NC(=O)C1=CC(C)=NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019799720	0	46	-1.0	-37.23	386.09	6.91	-30.32
CCC(CC)(NC(=O)C1=CC(C)=NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300019799720	1	46	-1.0	-37.22	386.03	6.89	-30.33
CCC(CC)(NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019799721	0	44	-1.0	-35.80	346.77	6.44	-29.36
CCC(CC)(NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019799721	1	44	-1.0	-35.78	346.84	6.45	-29.33
CCC(CC)(NC(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL300019799722	0	38	-1.0	-38.57	329.56	3.46	-35.11
CCC(CC)(NC(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL300019799722	1	38	-1.0	-38.56	329.62	3.47	-35.09
CCC(CC)(NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300019799723	0	42	-1.0	-40.61	345.95	5.34	-35.27
CCC(CC)(NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300019799723	1	42	-1.0	-40.64	346.02	5.35	-35.29
CCC(CC)(NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=N[N-]N=N1	REAL300019799724	0	44	-1.0	-40.88	357.27	-0.34	-41.22
CCC(CC)(NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=NN=N[N-]1	REAL300019799724	1	44	-1.0	-40.90	357.34	-0.34	-41.24
CCC(CC)(NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=N[N-]N=N1	REAL300019799725	0	46	-1.0	-37.45	347.41	5.31	-32.14
CCC(CC)(NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=NN=N[N-]1	REAL300019799725	1	46	-1.0	-37.40	347.48	5.32	-32.08
CCC(CC)(NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL300019799726	0	46	-1.0	-45.74	373.83	2.74	-43.00
CCC(CC)(NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL300019799726	1	46	-1.0	-45.73	373.90	2.75	-42.98
CCC(CC)(NC(=O)C(F)(F)C1(O)CCC1)C1=N[N-]N=N1	REAL300019799727	0	39	-1.0	-34.04	306.63	0.94	-33.10
CCC(CC)(NC(=O)C(F)(F)C1(O)CCC1)C1=NN=N[N-]1	REAL300019799727	1	39	-1.0	-34.02	306.69	0.95	-33.07
CCC(CC)(NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019799728	0	37	-1.0	-31.43	328.48	4.23	-27.20
CCC(CC)(NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019799728	1	37	-1.0	-31.38	328.41	4.21	-27.17
CCC(CC)(NC(=O)CCC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799729	0	47	-1.0	-35.77	357.67	7.05	-28.72
CCC(CC)(NC(=O)CCC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799729	1	47	-1.0	-35.82	357.73	7.06	-28.76
CCC(CC)(NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019799730	0	44	-1.0	-36.52	358.35	7.04	-29.48
CCC(CC)(NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019799730	1	44	-1.0	-36.52	358.42	7.05	-29.47
CCC(CC)(NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300019799731	0	52	-1.0	-39.64	388.81	5.53	-34.11
CCC(CC)(NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300019799731	1	52	-1.0	-39.57	388.87	5.55	-34.02
CCC(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300019799732	0	51	-1.0	-36.99	385.40	6.25	-30.74
CCC(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300019799732	1	51	-1.0	-36.94	385.47	6.26	-30.68
CCC(CC)(NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=NN=N[N-]1	REAL300019799733	0	38	-1.0	-44.09	307.21	2.34	-41.75
CCC(CC)(NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=N[N-]N=N1	REAL300019799733	1	38	-1.0	-44.12	307.14	2.33	-41.79
CCC(CC)(NC(=O)CC1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019799734	0	56	-1.0	-33.96	382.10	7.16	-26.80
CCC(CC)(NC(=O)CC1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019799734	1	56	-1.0	-33.92	382.17	7.17	-26.75
CCC(CC)(NC(=O)COC1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL300019799735	0	42	-1.0	-39.63	337.05	5.59	-34.04
CCC(CC)(NC(=O)COC1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL300019799735	1	42	-1.0	-39.61	337.11	5.60	-34.01
CCC(CC)(NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300019799736	0	45	-1.0	-35.87	363.58	6.53	-29.34
CCC(CC)(NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300019799736	1	45	-1.0	-35.86	363.64	6.55	-29.31
CCC(CC)(NC(=O)COC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019799737	0	49	-1.0	-37.11	372.14	7.35	-29.76
CCC(CC)(NC(=O)COC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019799737	1	49	-1.0	-37.18	372.21	7.37	-29.81
CCC(CC)(NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019799738	0	55	-1.0	-37.65	414.60	8.00	-29.65
CCC(CC)(NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019799738	1	55	-1.0	-37.67	414.66	8.02	-29.65
CCC(CC)(NC(=O)C1=CC=C(N(C)C)C=C1F)C1=N[N-]N=N1	REAL300019799739	0	43	-1.0	-38.93	332.57	4.93	-34.00
CCC(CC)(NC(=O)C1=CC=C(N(C)C)C=C1F)C1=NN=N[N-]1	REAL300019799739	1	43	-1.0	-38.94	332.64	4.95	-33.99
CCOC(=O)NCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799740	0	45	-1.0	-38.55	355.47	1.58	-36.97
CCOC(=O)NCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799740	1	45	-1.0	-38.57	355.54	1.59	-36.98
CCC(CC)(NC(=O)CC1CCCCC1(C)C)C1=N[N-]N=N1	REAL300019799741	0	50	-1.0	-34.03	347.05	6.00	-28.03
CCC(CC)(NC(=O)CC1CCCCC1(C)C)C1=NN=N[N-]1	REAL300019799741	1	50	-1.0	-34.03	347.11	6.02	-28.01
CCC(CC)(NC(=O)CC1CSCCS1)C1=N[N-]N=N1	REAL300019799742	0	40	-1.0	-36.13	322.91	4.97	-31.16
CCC(CC)(NC(=O)CC1CSCCS1)C1=NN=N[N-]1	REAL300019799742	1	40	-1.0	-36.11	322.97	4.98	-31.13
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=N[N-]N=N1	REAL300019799743	0	46	-1.0	-42.80	362.93	0.60	-42.20
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=NN=N[N-]1	REAL300019799743	1	46	-1.0	-42.79	363.00	0.61	-42.18
CCC(CC)(NC(=O)C(C)N1CCSCC1)C1=N[N-]N=N1	REAL300019799744	0	44	-1.0	-34.05	329.28	2.74	-31.31
CCC(CC)(NC(=O)C(C)N1CCSCC1)C1=NN=N[N-]1	REAL300019799744	1	44	-1.0	-34.08	329.34	2.76	-31.32
CCC(CC)(NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=NN=N[N-]1	REAL300019799745	0	38	-1.0	-39.43	320.36	0.02	-39.41
CCC(CC)(NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=N[N-]N=N1	REAL300019799745	1	38	-1.0	-39.41	320.29	0.00	-39.41
CCC(CC)(NC(=O)C1=C2CCCCN2N=C1)C1=N[N-]N=N1	REAL300019799746	0	42	-1.0	-38.16	319.13	3.94	-34.22
CCC(CC)(NC(=O)C1=C2CCCCN2N=C1)C1=NN=N[N-]1	REAL300019799746	1	42	-1.0	-38.18	319.20	3.94	-34.24
CCC(CC)(NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=NN=N[N-]1	REAL300019799747	0	45	-1.0	-35.45	348.66	5.75	-29.70
CCC(CC)(NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=N[N-]N=N1	REAL300019799747	1	45	-1.0	-35.48	348.59	5.73	-29.75
CCC(CC)(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=NN1)C1=N[N-]N=N1	REAL300019799748	0	46	-1.0	-35.51	365.96	3.90	-31.61
CCC(CC)(NC(=O)C1=CC(C2=CC=C(OC)C=C2)=NN1)C1=NN=N[N-]1	REAL300019799748	1	46	-1.0	-35.53	366.02	3.90	-31.63
CCC(CC)(NC(=O)CC1=CNC2=CC(Br)=CC=C12)C1=N[N-]N=N1	REAL300019799749	0	42	-1.0	-38.15	353.68	5.78	-32.37
CCC(CC)(NC(=O)CC1=CNC2=CC(Br)=CC=C12)C1=NN=N[N-]1	REAL300019799749	1	42	-1.0	-38.18	353.74	5.79	-32.39
CCC(CC)(NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL300019799750	0	41	-1.0	-36.43	353.62	6.99	-29.44
CCC(CC)(NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL300019799750	1	41	-1.0	-36.42	353.68	7.00	-29.42
CCC(CC)(NC(=O)C1=CC=C(Cl)N=C1C)C1=N[N-]N=N1	REAL300019799751	0	37	-1.0	-32.72	304.02	3.74	-28.98
CCC(CC)(NC(=O)C1=CC=C(Cl)N=C1C)C1=NN=N[N-]1	REAL300019799751	1	37	-1.0	-32.77	304.09	3.75	-29.02
CCC(CC)(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=N[N-]N=N1	REAL300019799752	0	48	-1.0	-47.14	369.52	1.04	-46.10
CCC(CC)(NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=NN=N[N-]1	REAL300019799752	1	48	-1.0	-47.12	369.59	1.05	-46.07
CCC(CC)(NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=N[N-]N=N1	REAL300019799753	0	50	-1.0	-37.24	378.01	5.71	-31.53
CCC(CC)(NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=NN=N[N-]1	REAL300019799753	1	50	-1.0	-37.27	378.07	5.71	-31.56
CCC(CC)(NC(=O)C1=CC(F)=C(F)C=C1Br)C1=N[N-]N=N1	REAL300019799754	0	35	-1.0	-32.54	304.79	5.18	-27.36
CCC(CC)(NC(=O)C1=CC(F)=C(F)C=C1Br)C1=NN=N[N-]1	REAL300019799754	1	35	-1.0	-32.57	304.86	5.19	-27.38
CCC(CC)(NC(=O)CCC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019799755	0	41	-1.0	-35.74	333.76	6.02	-29.72
CCC(CC)(NC(=O)CCC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019799755	1	41	-1.0	-35.78	333.82	6.03	-29.75
CCC(CC)(NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=N[N-]N=N1	REAL300019799756	0	54	-1.0	-35.72	410.39	7.44	-28.28
CCC(CC)(NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=NN=N[N-]1	REAL300019799756	1	54	-1.0	-35.71	410.45	7.45	-28.26
CCC(CC)(NC(=O)CCOC1=CC=CC=C1C(C)C)C1=N[N-]N=N1	REAL300019799757	0	51	-1.0	-35.54	388.98	6.77	-28.77
CCC(CC)(NC(=O)CCOC1=CC=CC=C1C(C)C)C1=NN=N[N-]1	REAL300019799757	1	51	-1.0	-35.57	389.04	6.79	-28.78
CCC(CC)(NC(=O)C1=C2CCCCC2=NN1C)C1=N[N-]N=N1	REAL300019799758	0	45	-1.0	-36.05	344.00	4.46	-31.59
CCC(CC)(NC(=O)C1=C2CCCCC2=NN1C)C1=NN=N[N-]1	REAL300019799758	1	45	-1.0	-36.05	344.07	4.48	-31.57
CCC(CC)(NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=N[N-]N=N1	REAL300019799759	0	40	-1.0	-40.07	338.42	3.49	-36.58
CCC(CC)(NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=NN=N[N-]1	REAL300019799759	1	40	-1.0	-40.08	338.48	3.51	-36.57
CCC(CC)(NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL300019799760	0	47	-1.0	-47.99	375.47	4.82	-43.17
CCC(CC)(NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL300019799760	1	47	-1.0	-47.99	375.53	4.82	-43.17
CCCC1CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CCO1	REAL300019799761	0	48	-1.0	-34.22	345.54	4.39	-29.83
CCCC1CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CCO1	REAL300019799761	1	48	-1.0	-34.23	345.61	4.40	-29.83
CCC(CC)(NC(=O)CCCC1=CSC=C1)C1=N[N-]N=N1	REAL300019799762	0	41	-1.0	-35.75	333.38	5.63	-30.12
CCC(CC)(NC(=O)CCCC1=CSC=C1)C1=NN=N[N-]1	REAL300019799762	1	41	-1.0	-35.74	333.44	5.65	-30.09
CCC(CC)(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019799763	0	50	-1.0	-40.68	390.28	2.68	-38.00
CCC(CC)(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019799763	1	50	-1.0	-40.75	390.36	2.69	-38.06
CCC(CC)(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019799764	0	49	-1.0	-37.19	374.40	3.72	-33.47
CCC(CC)(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019799764	1	49	-1.0	-37.18	374.46	3.73	-33.45
CCC(CC)(NC(=O)C1=CC=C(OC)C(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL300019799765	0	53	-1.0	-36.49	398.28	6.67	-29.82
CCC(CC)(NC(=O)C1=CC=C(OC)C(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL300019799765	1	53	-1.0	-36.46	398.33	6.67	-29.79
CCC(CC)(NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NN=N[N-]1	REAL300019799766	0	44	-1.0	-38.44	370.06	5.93	-32.51
CCC(CC)(NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=N[N-]N=N1	REAL300019799766	1	44	-1.0	-38.46	370.00	5.92	-32.54
CCC(CC)(NC(=O)C1=CC2=NNN=C2C=C1OC)C1=N[N-]N=N1	REAL300019799767	0	41	-1.0	-38.28	322.68	2.13	-36.15
CCC(CC)(NC(=O)C1=CC2=NNN=C2C=C1OC)C1=NN=N[N-]1	REAL300019799767	1	41	-1.0	-38.33	322.74	2.15	-36.18
CCC(CC)(NC(=O)C1=NC2=NNN=C2C=C1)C1=N[N-]N=N1	REAL300019799768	0	36	-1.0	-40.90	292.91	1.08	-39.82
CCC(CC)(NC(=O)C1=NC2=NNN=C2C=C1)C1=NN=N[N-]1	REAL300019799768	1	36	-1.0	-40.90	292.97	1.09	-39.81
CCC(CC)(NC(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019799769	0	41	-1.0	-39.52	359.35	6.61	-32.91
CCC(CC)(NC(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019799769	1	41	-1.0	-39.52	359.42	6.63	-32.89
CCC(CC)(NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=N[N-]N=N1	REAL300019799770	0	43	-1.0	-39.14	342.46	3.56	-35.58
CCC(CC)(NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=NN=N[N-]1	REAL300019799770	1	43	-1.0	-39.17	342.53	3.57	-35.60
CCC(CC)(NC(=O)C=CC1=CN=CC=C1C)C1=N[N-]N=N1	REAL300019799771	0	41	-1.0	-37.35	323.11	4.40	-32.95
CCC(CC)(NC(=O)C=CC1=CN=CC=C1C)C1=NN=N[N-]1	REAL300019799771	1	41	-1.0	-37.31	323.17	4.41	-32.90
CCC(CC)(NC(=O)C1=C(C)N=C(NC(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL300019799772	0	51	-1.0	-37.83	403.29	4.10	-33.73
CCC(CC)(NC(=O)C1=C(C)N=C(NC(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL300019799772	1	51	-1.0	-37.80	403.35	4.10	-33.70
CCC(CC)(NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019799773	0	52	-1.0	-39.22	394.75	7.78	-31.44
CCC(CC)(NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019799773	1	52	-1.0	-39.25	394.82	7.79	-31.46
CCC(CC)(NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=NN=N[N-]1	REAL300019799774	0	45	-1.0	-32.79	371.82	4.38	-28.41
CCC(CC)(NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=N[N-]N=N1	REAL300019799774	1	45	-1.0	-32.75	371.76	4.36	-28.39
CCC(CC)(NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL300019799775	0	44	-1.0	-38.73	372.85	6.00	-32.73
CCC(CC)(NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL300019799775	1	44	-1.0	-38.75	372.92	6.01	-32.74
CCC(CC)(NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019799776	0	41	-1.0	-34.88	331.50	5.88	-29.00
CCC(CC)(NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019799776	1	41	-1.0	-34.83	331.57	5.90	-28.93
CCC(CC)(NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL300019799777	0	39	-1.0	-35.00	314.13	2.20	-32.80
CCC(CC)(NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL300019799777	1	39	-1.0	-34.95	314.07	2.20	-32.75
CCC(CC)(NC(=O)C1=CC=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300019799778	0	41	-1.0	-34.20	320.02	4.83	-29.37
CCC(CC)(NC(=O)C1=CC=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300019799778	1	41	-1.0	-34.23	320.09	4.83	-29.40
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019799779	0	46	-1.0	-47.98	376.80	6.40	-41.58
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019799779	1	46	-1.0	-47.99	376.87	6.41	-41.58
CCC(CC)(NC(=O)[C@H](OC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799780	0	42	-1.0	-35.74	331.51	5.24	-30.50
CCC(CC)(NC(=O)[C@H](OC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799780	1	42	-1.0	-35.76	331.58	5.25	-30.51
CCC(CC)(NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=N[N-]N=N1	REAL300019799781	0	41	-1.0	-36.49	323.28	6.18	-30.31
CCC(CC)(NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=NN=N[N-]1	REAL300019799781	1	41	-1.0	-36.48	323.35	6.18	-30.30
CCC(CC)(NC(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019799782	0	38	-1.0	-36.42	326.45	3.67	-32.75
CCC(CC)(NC(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019799782	1	38	-1.0	-36.37	326.39	3.66	-32.71
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=NN=N[N-]1	REAL300019799783	0	45	-1.0	-39.48	364.23	6.72	-32.76
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=N[N-]N=N1	REAL300019799783	1	45	-1.0	-39.46	364.17	6.71	-32.75
CCC(CC)(NC(=O)C1=CC2=NNN=C2N=C1)C1=N[N-]N=N1	REAL300019799784	0	36	-1.0	-36.36	289.93	1.11	-35.25
CCC(CC)(NC(=O)C1=CC2=NNN=C2N=C1)C1=NN=N[N-]1	REAL300019799784	1	36	-1.0	-36.32	290.00	1.11	-35.21
CCC(CC)(NC(=O)CN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019799785	0	41	-1.0	-40.51	328.21	6.18	-34.33
CCC(CC)(NC(=O)CN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019799785	1	41	-1.0	-40.56	328.28	6.19	-34.37
CCC1=NC2=CC=CC=C2N1CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799786	0	47	-1.0	-40.14	366.83	6.51	-33.63
CCC1=NC2=CC=CC=C2N1CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799786	1	47	-1.0	-40.21	366.90	6.52	-33.69
CCC(CC)(NC(=O)CC(=O)NCC(F)(F)F)C1=N[N-]N=N1	REAL300019799787	0	38	-1.0	-40.91	317.38	2.30	-38.61
CCC(CC)(NC(=O)CC(=O)NCC(F)(F)F)C1=NN=N[N-]1	REAL300019799787	1	38	-1.0	-40.90	317.44	2.32	-38.58
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=N[N-]N=N1	REAL300019799788	0	39	-1.0	-35.79	338.38	6.44	-29.35
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=NN=N[N-]1	REAL300019799788	1	39	-1.0	-35.75	338.45	6.45	-29.30
CCC(CC)(NC(=O)C1=CC=C(SC2CC2)C=C1)C1=N[N-]N=N1	REAL300019799789	0	43	-1.0	-34.80	346.97	7.07	-27.73
CCC(CC)(NC(=O)C1=CC=C(SC2CC2)C=C1)C1=NN=N[N-]1	REAL300019799789	1	43	-1.0	-34.80	347.04	7.09	-27.71
CCC(CC)(NC(=O)CCC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300019799790	0	41	-1.0	-34.79	345.51	6.47	-28.32
CCC(CC)(NC(=O)CCC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300019799790	1	41	-1.0	-34.84	345.58	6.48	-28.36
CCC(CC)(NC(=O)C1=CC2=NNN=C2C=C1F)C1=N[N-]N=N1	REAL300019799791	0	37	-1.0	-36.45	300.14	1.78	-34.67
CCC(CC)(NC(=O)C1=CC2=NNN=C2C=C1F)C1=NN=N[N-]1	REAL300019799791	1	37	-1.0	-36.45	300.20	1.80	-34.65
CCC(CC)(NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300019799792	0	47	-1.0	-32.69	381.75	4.28	-28.41
CCC(CC)(NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300019799792	1	47	-1.0	-32.64	381.68	4.28	-28.36
CCC(CC)(NC(=O)CCCCC1=NNN=C1)C1=N[N-]N=N1	REAL300019799793	0	43	-1.0	-37.97	338.68	2.55	-35.42
CCC(CC)(NC(=O)CCCCC1=NNN=C1)C1=NN=N[N-]1	REAL300019799793	1	43	-1.0	-37.99	338.75	2.56	-35.43
CCC(CC)(NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=N[N-]N=N1	REAL300019799794	0	49	-1.0	-37.40	381.90	6.07	-31.33
CCC(CC)(NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=NN=N[N-]1	REAL300019799794	1	49	-1.0	-37.37	381.96	6.09	-31.28
CCC(CC)N1N=C(C)C=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799795	0	50	-1.0	-34.38	377.98	5.95	-28.43
CCC(CC)N1N=C(C)C=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799795	1	50	-1.0	-34.37	378.05	5.95	-28.42
CCC(CC)(NC(=O)CC1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL300019799796	0	47	-1.0	-35.86	356.00	6.80	-29.06
CCC(CC)(NC(=O)CC1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL300019799796	1	47	-1.0	-35.87	356.06	6.81	-29.06
CCC(CC)(NC(=O)C(C)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799797	0	50	-1.0	-35.31	381.06	8.01	-27.30
CCC(CC)(NC(=O)C(C)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799797	1	50	-1.0	-35.30	381.13	8.02	-27.28
CCC(CC)(NC(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019799798	0	43	-1.0	-39.14	354.31	3.60	-35.54
CCC(CC)(NC(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019799798	1	43	-1.0	-39.11	354.37	3.62	-35.49
CCC(CC)(NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL300019799799	0	42	-1.0	-34.05	337.73	6.70	-27.35
CCC(CC)(NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL300019799799	1	42	-1.0	-34.05	337.79	6.72	-27.33
CCC(CC)(NC(=O)C(C)CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019799800	0	47	-1.0	-34.72	358.72	7.07	-27.65
CCC(CC)(NC(=O)C(C)CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019799800	1	47	-1.0	-34.72	358.78	7.08	-27.64
CCC(CC)(NC(=O)C1=C(C)N2C=NC=C2C=C1)C1=N[N-]N=N1	REAL300019799801	0	41	-1.0	-35.77	316.71	6.21	-29.56
CCC(CC)(NC(=O)C1=C(C)N2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL300019799801	1	42	0.0	-55.10	320.41	6.76	-48.34
CCC(CC)(NC(=O)C1=C(C)N2C=NC=C2C=C1)C1=NN=N[N-]1	REAL300019799801	1	41	-1.0	-35.83	316.78	6.23	-29.60
CCC(CC)(NC(=O)C1=CC2=C(N(C)C)N=CN=C2N1C)C1=N[N-]N=N1	REAL300019799802	0	48	-1.0	-35.18	368.01	5.25	-29.93
CCC(CC)(NC(=O)C1=CC2=C(N(C)C)N=CN=C2N1C)C1=NN=N[N-]1	REAL300019799802	1	48	-1.0	-35.21	368.07	5.26	-29.95
CCC(CC)(NC(=O)CCC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL300019799803	0	45	-1.0	-38.46	353.26	5.97	-32.49
CCC(CC)(NC(=O)CCC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL300019799803	1	45	-1.0	-38.44	353.33	5.98	-32.46
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300019799804	0	48	-1.0	-35.78	365.48	5.63	-30.15
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300019799804	1	48	-1.0	-35.82	365.55	5.64	-30.18
CCC(CC)(NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019799805	0	46	-1.0	-35.85	374.31	6.77	-29.08
CCC(CC)(NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019799805	1	46	-1.0	-35.88	374.38	6.79	-29.09
CCC(CC)(NC(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019799806	0	50	-1.0	-37.90	389.51	8.96	-28.94
CCC(CC)(NC(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019799806	1	50	-1.0	-37.88	389.58	8.98	-28.90
C=CCCOCCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799807	0	48	-1.0	-35.07	373.32	5.08	-29.99
C=CCCOCCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799807	1	48	-1.0	-35.11	373.38	5.10	-30.01
CCC(CC)(NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=N[N-]N=N1	REAL300019799808	0	44	-1.0	-37.39	341.51	3.34	-34.05
CCC(CC)(NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=NN=N[N-]1	REAL300019799808	1	44	-1.0	-37.35	341.58	3.36	-33.99
CCC(C)N1N=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1C	REAL300019799809	0	47	-1.0	-41.32	361.23	4.90	-36.42
CCC(C)N1N=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1C	REAL300019799809	1	47	-1.0	-41.33	361.30	4.91	-36.42
CCC(CC)(NC(=O)C1=CN=C2SC(C)=C(C)N2C1=O)C1=NN=N[N-]1	REAL300019799810	0	43	-1.0	-47.37	343.99	5.15	-42.22
CCC(CC)(NC(=O)C1=CN=C2SC(C)=C(C)N2C1=O)C1=N[N-]N=N1	REAL300019799810	1	43	-1.0	-47.39	343.94	5.15	-42.24
CCC(CC)(NC(=O)C(F)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799811	0	41	-1.0	-34.61	328.20	5.93	-28.68
CCC(CC)(NC(=O)C(F)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799811	1	41	-1.0	-34.59	328.27	5.94	-28.65
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300019799812	0	35	-2.0	-89.45	296.36	4.47	-84.98
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300019799812	1	35	-2.0	-89.42	296.43	4.47	-84.95
CCC(CC)(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019799813	0	45	-1.0	-40.44	374.24	6.57	-33.87
CCC(CC)(NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019799813	1	45	-1.0	-40.44	374.30	6.58	-33.86
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=C(F)C(F)=C2)S1)C1=NN=N[N-]1	REAL300019799814	0	44	-1.0	-35.14	372.48	6.10	-29.04
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=C(F)C(F)=C2)S1)C1=N[N-]N=N1	REAL300019799814	1	44	-1.0	-35.12	372.41	6.08	-29.04
CCC(CC)(NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=N[N-]N=N1	REAL300019799815	0	42	-1.0	-39.79	338.88	2.83	-36.96
CCC(CC)(NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=NN=N[N-]1	REAL300019799815	1	42	-1.0	-39.82	338.94	2.84	-36.98
CCC(CC)(NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300019799816	0	40	-1.0	-36.74	320.87	-1.29	-38.03
CCC(CC)(NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300019799816	1	40	-1.0	-36.73	320.80	-1.29	-38.02
CCC(CC)(NC(=O)CC1=CC=C(C)C(O)=C1)C1=N[N-]N=N1	REAL300019799817	0	42	-1.0	-37.72	330.81	3.14	-34.58
CCC(CC)(NC(=O)CC1=CC=C(C)C(O)=C1)C1=NN=N[N-]1	REAL300019799817	1	42	-1.0	-37.74	330.87	3.14	-34.60
CCC(CC)(NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=N[N-]N=N1	REAL300019799818	0	36	-1.0	-34.05	312.06	5.25	-28.80
CCC(CC)(NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=NN=N[N-]1	REAL300019799818	1	36	-1.0	-34.03	312.13	5.26	-28.77
CCC(CC)(NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019799819	0	42	-1.0	-36.36	362.07	4.57	-31.79
CCC(CC)(NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019799819	1	42	-1.0	-36.37	362.13	4.58	-31.79
CCC(CC)(NC(=O)CSC1=NN=NN1C)C1=NN=N[N-]1	REAL300019799820	0	37	-1.0	-38.09	313.78	1.73	-36.36
CCC(CC)(NC(=O)CSC1=NN=NN1C)C1=N[N-]N=N1	REAL300019799820	1	37	-1.0	-38.10	313.71	1.71	-36.39
CCC(CC)(NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019799821	0	42	-1.0	-37.07	345.51	4.05	-33.02
CCC(CC)(NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019799821	1	42	-1.0	-37.05	345.58	4.07	-32.98
CCC(CC)(NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019799822	0	47	-1.0	-34.12	366.29	6.88	-27.24
CCC(CC)(NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019799822	1	47	-1.0	-34.10	366.23	6.88	-27.22
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300019799823	0	38	-1.0	-33.12	327.08	5.94	-27.18
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300019799823	1	38	-1.0	-33.10	327.15	5.95	-27.15
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1CC	REAL300019799824	0	47	-1.0	-35.83	352.76	7.00	-28.83
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1CC	REAL300019799824	1	47	-1.0	-35.83	352.82	7.01	-28.82
CCC(CC)(NC(=O)C(C)C1=C(C)N(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300019799825	0	50	-1.0	-40.57	390.97	5.62	-34.95
CCC(CC)(NC(=O)C(C)C1=C(C)N(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300019799825	1	50	-1.0	-40.59	391.03	5.62	-34.97
CCC(CC)(NC(=O)CC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL300019799826	0	44	-1.0	-35.68	334.58	6.14	-29.54
CCC(CC)(NC(=O)CC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL300019799826	1	44	-1.0	-35.65	334.65	6.16	-29.49
CCC(CC)(NC(=O)CC1=CC=CC=C1CC#N)C1=N[N-]N=N1	REAL300019799827	0	42	-1.0	-37.98	337.01	5.98	-32.00
CCC(CC)(NC(=O)CC1=CC=CC=C1CC#N)C1=NN=N[N-]1	REAL300019799827	1	42	-1.0	-37.97	337.08	6.00	-31.97
CCC(CC)(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019799828	0	46	-1.0	-35.97	381.31	7.80	-28.17
CCC(CC)(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019799828	1	46	-1.0	-35.95	381.37	7.81	-28.14
CCC(CC)(NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL300019799829	0	41	-1.0	-42.57	348.47	4.06	-38.51
CCC(CC)(NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL300019799829	1	41	-1.0	-42.52	348.41	4.05	-38.47
CCC(CC)(NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=N[N-]N=N1	REAL300019799830	0	44	-1.0	-38.70	350.41	3.41	-35.29
CCC(CC)(NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=NN=N[N-]1	REAL300019799830	1	44	-1.0	-38.73	350.48	3.42	-35.31
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=N[N-]N=N1	REAL300019799831	0	47	-1.0	-42.26	377.76	1.91	-40.35
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=NN=N[N-]1	REAL300019799831	1	47	-1.0	-42.27	377.83	1.91	-40.36
CCC(CC)(NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=N[N-]N=N1	REAL300019799832	0	46	-1.0	-46.56	374.91	6.00	-40.56
CCC(CC)(NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=NN=N[N-]1	REAL300019799832	1	46	-1.0	-46.53	374.97	6.01	-40.52
CCC(CC)(NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300019799833	0	40	-1.0	-33.64	338.38	5.89	-27.75
CCC(CC)(NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300019799833	1	40	-1.0	-33.64	338.32	5.88	-27.76
CCC(CC)(NC(=O)CC1=CC=CC=C1SC)C1=N[N-]N=N1	REAL300019799834	0	42	-1.0	-37.35	337.96	6.01	-31.34
CCC(CC)(NC(=O)CC1=CC=CC=C1SC)C1=NN=N[N-]1	REAL300019799834	1	42	-1.0	-37.36	338.03	6.03	-31.33
CCC(CC)(NC(=O)C1=CC=NC(OCCOC)=C1)C1=NN=N[N-]1	REAL300019799835	0	45	-1.0	-36.86	358.79	1.38	-35.48
CCC(CC)(NC(=O)C1=CC=NC(OCCOC)=C1)C1=N[N-]N=N1	REAL300019799835	1	45	-1.0	-36.87	358.72	1.37	-35.50
CCC(CC)(NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=N[N-]N=N1	REAL300019799836	0	40	-1.0	-38.21	320.09	5.03	-33.18
CCC(CC)(NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=NN=N[N-]1	REAL300019799836	1	40	-1.0	-38.21	320.16	5.04	-33.17
CCC(CC)(NC(=O)C1=CC=C(C)N=C1OC)C1=N[N-]N=N1	REAL300019799837	0	41	-1.0	-38.46	322.48	2.87	-35.59
CCC(CC)(NC(=O)C1=CC=C(C)N=C1OC)C1=NN=N[N-]1	REAL300019799837	1	41	-1.0	-38.47	322.54	2.88	-35.59
CCC(CC)(NC(=O)C1=CC=CC(C2=NN=C(COC)O2)=C1)C1=N[N-]N=N1	REAL300019799838	0	47	-1.0	-42.09	381.62	0.27	-41.82
CCC(CC)(NC(=O)C1=CC=CC(C2=NN=C(COC)O2)=C1)C1=NN=N[N-]1	REAL300019799838	1	47	-1.0	-42.11	381.68	0.27	-41.84
CCC(CC)(NC(=O)C1=CN=C2SC=C(C)N2C1=O)C1=NN=N[N-]1	REAL300019799839	0	40	-1.0	-48.62	326.02	4.35	-44.27
CCC(CC)(NC(=O)C1=CN=C2SC=C(C)N2C1=O)C1=N[N-]N=N1	REAL300019799839	1	40	-1.0	-48.64	325.95	4.34	-44.30
CCC(CC)(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019799840	0	42	-1.0	-42.01	370.51	6.94	-35.07
CCC(CC)(NC(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019799840	1	42	-1.0	-42.01	370.45	6.94	-35.07
CCC(CC)(NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019799841	0	47	-1.0	-35.72	372.83	7.62	-28.10
CCC(CC)(NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019799841	1	47	-1.0	-35.72	372.89	7.63	-28.09
CCC(CC)(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300019799842	0	45	-1.0	-38.74	370.23	0.59	-38.15
CCC(CC)(NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300019799842	1	45	-1.0	-38.76	370.29	0.60	-38.16
CCC(CC)(NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=N[N-]N=N1	REAL300019799843	0	41	-1.0	-38.95	332.11	0.73	-38.22
CCC(CC)(NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=NN=N[N-]1	REAL300019799843	1	41	-1.0	-39.03	332.18	0.74	-38.29
CCC(CC)(NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=N[N-]N=N1	REAL300019799844	0	40	-1.0	-42.28	326.76	0.36	-41.92
CCC(CC)(NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=NN=N[N-]1	REAL300019799844	1	40	-1.0	-42.27	326.83	0.37	-41.90
CCC(CC)(NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL300019799845	0	40	-1.0	-40.97	319.30	4.96	-36.01
CCC(CC)(NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL300019799845	1	40	-1.0	-40.92	319.24	4.95	-35.97
CCC(CC)(NC(=O)C1=CC(C)=C(OC)C(C)=C1)C1=N[N-]N=N1	REAL300019799846	0	45	-1.0	-35.08	348.56	5.47	-29.61
CCC(CC)(NC(=O)C1=CC(C)=C(OC)C(C)=C1)C1=NN=N[N-]1	REAL300019799846	1	45	-1.0	-35.08	348.62	5.46	-29.62
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=N[N-]N=N1	REAL300019799847	0	39	-1.0	-34.64	323.38	3.81	-30.83
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=NN=N[N-]1	REAL300019799847	1	39	-1.0	-34.60	323.44	3.83	-30.77
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019799847	1	38	-2.0	-86.59	319.81	4.82	-81.77
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019799847	1	38	-2.0	-86.60	319.88	4.84	-81.76
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=N[N-]N=N1	REAL300019799848	0	51	-1.0	-39.17	399.72	8.10	-31.07
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=NN=N[N-]1	REAL300019799848	1	51	-1.0	-39.20	399.79	8.11	-31.09
CCC(CC)(NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL300019799849	0	35	-1.0	-34.14	301.61	5.17	-28.97
CCC(CC)(NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL300019799849	1	35	-1.0	-34.11	301.68	5.17	-28.94
CCC(CC)(NC(=O)C1=C(Br)N=CS1)C1=NN=N[N-]1	REAL300019799850	0	31	-1.0	-35.37	281.00	2.11	-33.26
CCC(CC)(NC(=O)C1=C(Br)N=CS1)C1=N[N-]N=N1	REAL300019799850	1	31	-1.0	-35.36	280.93	2.10	-33.26
CCC(CC)(NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=NN=N[N-]1	REAL300019799851	0	48	-1.0	-39.99	362.25	3.44	-36.55
CCC(CC)(NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=N[N-]N=N1	REAL300019799851	1	48	-1.0	-39.94	362.18	3.42	-36.52
CCC(CC)(NC(=O)C1=CSC(NC2CC2)=N1)C1=NN=N[N-]1	REAL300019799852	0	40	-1.0	-38.00	331.86	3.18	-34.82
CCC(CC)(NC(=O)C1=CSC(NC2CC2)=N1)C1=N[N-]N=N1	REAL300019799852	1	40	-1.0	-38.00	331.80	3.16	-34.84
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019799853	0	45	-1.0	-40.69	363.92	6.11	-34.58
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019799853	1	45	-1.0	-40.70	363.98	6.13	-34.57
CCC(CC)(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019799854	0	48	-1.0	-42.27	378.92	6.72	-35.55
CCC(CC)(NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019799854	1	48	-1.0	-42.30	378.98	6.74	-35.56
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019799855	0	45	-1.0	-39.68	372.74	6.53	-33.15
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019799855	1	45	-1.0	-39.67	372.81	6.55	-33.12
CCC(CC)(NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019799856	0	51	-1.0	-42.12	399.53	7.49	-34.63
CCC(CC)(NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019799856	1	51	-1.0	-42.16	399.58	7.49	-34.67
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019799857	0	52	-1.0	-37.93	405.87	8.44	-29.49
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019799857	1	52	-1.0	-37.91	405.94	8.45	-29.46
CCC(CC)(NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019799858	0	51	-1.0	-34.76	386.93	4.96	-29.80
CCC(CC)(NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019799858	1	51	-1.0	-34.78	386.87	4.94	-29.84
CCC(CC)(NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=N[N-]N=N1	REAL300019799859	0	48	-1.0	-41.55	374.51	5.80	-35.75
CCC(CC)(NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=NN=N[N-]1	REAL300019799859	1	48	-1.0	-41.57	374.58	5.81	-35.76
CCC(CC)(NC(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019799860	0	55	-1.0	-38.14	421.53	5.47	-32.67
CCC(CC)(NC(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019799860	1	55	-1.0	-38.19	421.59	5.48	-32.71
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019799861	0	50	-1.0	-35.10	385.47	7.15	-27.95
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019799861	1	50	-1.0	-35.12	385.54	7.17	-27.95
CCC(CC)(NC(=O)C1=CN=C2SC(C)=CN2C1=O)C1=NN=N[N-]1	REAL300019799862	0	40	-1.0	-47.78	330.65	4.67	-43.11
CCC(CC)(NC(=O)C1=CN=C2SC(C)=CN2C1=O)C1=N[N-]N=N1	REAL300019799862	1	40	-1.0	-47.81	330.59	4.67	-43.14
CCC1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CC(=O)N1	REAL300019799863	0	41	-1.0	-38.02	322.91	2.77	-35.25
CCC1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CC(=O)N1	REAL300019799863	1	41	-1.0	-37.97	322.97	2.77	-35.20
CCC(CC)(NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=NN=N[N-]1	REAL300019799864	0	41	-1.0	-44.25	337.74	3.30	-40.95
CCC(CC)(NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=N[N-]N=N1	REAL300019799864	1	41	-1.0	-44.28	337.68	3.28	-41.00
CCC(CC)(NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019799865	0	44	-1.0	-37.00	359.58	2.99	-34.01
CCC(CC)(NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019799865	1	44	-1.0	-36.95	359.51	2.97	-33.98
CCC(CC)(NC(=O)CC1=CNC2=CC=CC(OC)=C12)C1=N[N-]N=N1	REAL300019799866	0	46	-1.0	-41.03	360.54	4.50	-36.53
CCC(CC)(NC(=O)CC1=CNC2=CC=CC(OC)=C12)C1=NN=N[N-]1	REAL300019799866	1	46	-1.0	-41.00	360.61	4.51	-36.49
CCCCCCCCC(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799867	0	58	-1.0	-33.95	425.93	8.81	-25.14
CCCCCCCCC(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799867	1	58	-1.0	-33.93	426.00	8.83	-25.10
CCC(CC)(NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=N[N-]N=N1	REAL300019799868	0	50	-1.0	-34.03	385.06	6.29	-27.74
CCC(CC)(NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=NN=N[N-]1	REAL300019799868	1	50	-1.0	-33.99	385.13	6.29	-27.70
CCC(CC)(NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019799869	0	40	-1.0	-37.50	328.53	4.24	-33.26
CCC(CC)(NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019799869	1	40	-1.0	-37.50	328.59	4.24	-33.26
CCC(CC)(NC(=O)CC1=CC=C(Br)C=C1C)C1=N[N-]N=N1	REAL300019799870	0	41	-1.0	-34.92	338.55	6.22	-28.70
CCC(CC)(NC(=O)CC1=CC=C(Br)C=C1C)C1=NN=N[N-]1	REAL300019799870	1	41	-1.0	-34.91	338.61	6.23	-28.68
CCC(CC)(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019799871	0	49	-1.0	-41.81	386.99	5.34	-36.47
CCC(CC)(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019799871	1	49	-1.0	-41.77	387.06	5.36	-36.41
CCC(CC)(NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=N[N-]N=N1	REAL300019799872	0	44	-1.0	-36.34	348.69	4.39	-31.95
CCC(CC)(NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=NN=N[N-]1	REAL300019799872	1	44	-1.0	-36.34	348.75	4.40	-31.94
CCC(CC)(NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300019799873	0	51	-1.0	-39.96	406.60	6.61	-33.35
CCC(CC)(NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300019799873	1	51	-1.0	-39.93	406.67	6.63	-33.30
CCC(CC)(NC(=O)C1=CC=CC(C2=NN=C(CCOC)O2)=C1)C1=N[N-]N=N1	REAL300019799874	0	50	-1.0	-40.15	403.11	1.05	-39.10
CCC(CC)(NC(=O)C1=CC=CC(C2=NN=C(CCOC)O2)=C1)C1=NN=N[N-]1	REAL300019799874	1	50	-1.0	-40.14	403.18	1.05	-39.09
CCC(CC)(NC(=O)C1=C(C)N(C(C)C)N=C1)C1=N[N-]N=N1	REAL300019799875	0	44	-1.0	-38.14	338.85	4.24	-33.90
CCC(CC)(NC(=O)C1=C(C)N(C(C)C)N=C1)C1=NN=N[N-]1	REAL300019799875	1	44	-1.0	-38.17	338.92	4.25	-33.92
CCC(C)OC1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CC=N1	REAL300019799876	0	47	-1.0	-34.97	366.06	3.84	-31.13
CCC(C)OC1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CC=N1	REAL300019799876	1	47	-1.0	-34.96	366.00	3.83	-31.13
CCC(CC)(NC(=O)C1=NOC(COC2=CC=CC(C(C)=O)=C2)=C1)C1=N[N-]N=N1	REAL300019799877	0	50	-1.0	-47.49	409.15	5.62	-41.87
CCC(CC)(NC(=O)C1=NOC(COC2=CC=CC(C(C)=O)=C2)=C1)C1=NN=N[N-]1	REAL300019799877	1	50	-1.0	-47.49	409.21	5.63	-41.86
CCC(CC)(NC(=O)C=CC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300019799878	0	45	-1.0	-35.93	353.20	6.96	-28.97
CCC(CC)(NC(=O)C=CC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300019799878	1	45	-1.0	-35.89	353.26	6.97	-28.92
CCC(CC)(NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799879	0	52	-1.0	-38.38	399.08	8.91	-29.47
CCC(CC)(NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799879	1	52	-1.0	-38.35	399.14	8.92	-29.43
CCC(CC)(NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=N[N-]N=N1	REAL300019799880	0	47	-1.0	-37.91	362.52	3.90	-34.01
CCC(CC)(NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=NN=N[N-]1	REAL300019799880	1	47	-1.0	-37.88	362.58	3.91	-33.97
CCC(CC)(NC(=O)C1=CC(C(=O)OC)=NO1)C1=NN=N[N-]1	REAL300019799881	0	37	-1.0	-34.04	311.73	2.47	-31.57
CCC(CC)(NC(=O)C1=CC(C(=O)OC)=NO1)C1=N[N-]N=N1	REAL300019799881	1	37	-1.0	-34.06	311.67	2.46	-31.60
CCC(CC)(NC(=O)CSC1=NC(C2=CC=CC(C)=C2)=NO1)C1=NN=N[N-]1	REAL300019799882	0	47	-1.0	-37.90	394.66	4.90	-33.00
CCC(CC)(NC(=O)CSC1=NC(C2=CC=CC(C)=C2)=NO1)C1=N[N-]N=N1	REAL300019799882	1	47	-1.0	-37.89	394.60	4.88	-33.01
CCC(CC)(NC(=O)C1=CC(Br)=NC=C1F)C1=NN=N[N-]1	REAL300019799883	0	34	-1.0	-33.23	296.41	3.40	-29.83
CCC(CC)(NC(=O)C1=CC(Br)=NC=C1F)C1=N[N-]N=N1	REAL300019799883	1	34	-1.0	-33.18	296.35	3.39	-29.79
CCC(CC)(NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019799884	0	42	-1.0	-36.57	338.29	6.67	-29.90
CCC(CC)(NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019799884	1	42	-1.0	-36.55	338.36	6.68	-29.87
CCC(CC)(NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=N[N-]N=N1	REAL300019799885	0	47	-1.0	-42.54	378.68	3.24	-39.30
CCC(CC)(NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=NN=N[N-]1	REAL300019799885	1	47	-1.0	-42.55	378.75	3.26	-39.29
CCC(CC)(NC(=O)C1=CC=C(Cl)C(OC)=C1)C1=N[N-]N=N1	REAL300019799886	0	39	-1.0	-34.03	321.35	4.29	-29.74
CCC(CC)(NC(=O)C1=CC=C(Cl)C(OC)=C1)C1=NN=N[N-]1	REAL300019799886	1	39	-1.0	-34.06	321.41	4.30	-29.76
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019799887	0	47	-1.0	-43.93	366.12	3.40	-40.53
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019799887	1	47	-1.0	-43.94	366.18	3.41	-40.53
CCC(CC)(NC(=O)C1=CC(OC)=C(Br)S1)C1=N[N-]N=N1	REAL300019799888	0	36	-1.0	-33.61	319.71	3.49	-30.12
CCC(CC)(NC(=O)C1=CC(OC)=C(Br)S1)C1=NN=N[N-]1	REAL300019799888	1	36	-1.0	-33.54	319.77	3.50	-30.04
CCC(CC)(NC(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=N[N-]N=N1	REAL300019799889	0	42	-1.0	-37.23	342.84	7.07	-30.16
CCC(CC)(NC(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=NN=N[N-]1	REAL300019799889	1	42	-1.0	-37.24	342.90	7.09	-30.15
CCC(CC)(NC(=O)C1COC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL300019799890	0	40	-1.0	-34.71	333.84	4.72	-29.99
CCC(CC)(NC(=O)C1COC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL300019799890	1	40	-1.0	-34.70	333.91	4.74	-29.96
CCC(CC)(NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019799891	0	43	-1.0	-39.16	356.42	0.58	-38.58
CCC(CC)(NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019799891	1	43	-1.0	-39.25	356.49	0.58	-38.67
CCC(CC)(NC(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019799892	0	38	-1.0	-39.48	319.03	5.25	-34.23
CCC(CC)(NC(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019799892	1	38	-1.0	-39.51	318.97	5.23	-34.28
CCC(CC)([N-]C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019799892	1	37	-2.0	-108.69	316.60	3.86	-104.83
CCC(CC)(NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300019799893	0	43	-1.0	-37.69	341.26	6.78	-30.91
CCC(CC)(NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300019799893	1	43	-1.0	-37.65	341.33	6.79	-30.86
CCC(CC)(NC(=O)C1=CN=CC(I)=C1)C1=NN=N[N-]1	REAL300019799894	0	34	-1.0	-33.06	298.73	3.74	-29.32
CCC(CC)(NC(=O)C1=CN=CC(I)=C1)C1=N[N-]N=N1	REAL300019799894	1	34	-1.0	-33.07	298.67	3.73	-29.34
CCC(CC)(NC(=O)CN1C(=O)NC2(CC(C)CC(C)C2)C1=O)C1=N[N-]N=N1	REAL300019799895	0	56	-1.0	-40.51	411.30	4.73	-35.78
CCC(CC)(NC(=O)CN1C(=O)NC2(CC(C)CC(C)C2)C1=O)C1=NN=N[N-]1	REAL300019799895	1	56	-1.0	-40.46	411.36	4.75	-35.71
CCC(CC)(NC(=O)CCCOCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019799896	0	52	-1.0	-38.90	406.93	5.28	-33.62
CCC(CC)(NC(=O)CCCOCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019799896	1	52	-1.0	-38.96	406.99	5.30	-33.66
CCC(CC)(NC(=O)C1=CC(Br)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019799897	0	40	-1.0	-41.84	336.26	5.87	-35.97
CCC(CC)(NC(=O)C1=CC(Br)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019799897	1	40	-1.0	-41.87	336.20	5.85	-36.02
CCC(CC)(NC(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019799898	0	53	-1.0	-37.36	413.05	8.89	-28.47
CCC(CC)(NC(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019799898	1	53	-1.0	-37.34	413.11	8.90	-28.44
CCC(CC)(NC(=O)CCC(=O)NC1CCCC1)C1=N[N-]N=N1	REAL300019799899	0	48	-1.0	-38.18	365.61	3.46	-34.72
CCC(CC)(NC(=O)CCC(=O)NC1CCCC1)C1=NN=N[N-]1	REAL300019799899	1	48	-1.0	-38.18	365.68	3.48	-34.70
CCC(CC)(NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=N[N-]N=N1	REAL300019799900	0	44	-1.0	-44.22	360.50	5.84	-38.38
CCC(CC)(NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NN=N[N-]1	REAL300019799900	1	44	-1.0	-44.18	360.57	5.86	-38.32
CCC(CC)(NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL300019799901	0	48	-1.0	-37.90	374.36	4.38	-33.52
CCC(CC)(NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL300019799901	1	48	-1.0	-37.94	374.43	4.39	-33.55
CCC(CC)(NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=N[N-]N=N1	REAL300019799902	0	41	-1.0	-42.31	330.17	5.43	-36.88
CCC(CC)(NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=NN=N[N-]1	REAL300019799902	1	41	-1.0	-42.33	330.24	5.44	-36.89
CCC(CC)(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019799903	0	58	-1.0	-40.83	432.41	5.98	-34.85
CCC(CC)(NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019799903	1	58	-1.0	-40.83	432.48	5.99	-34.84
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=N[N-]N=N1	REAL300019799904	0	45	-1.0	-44.95	372.63	6.73	-38.22
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=NN=N[N-]1	REAL300019799904	1	45	-1.0	-44.95	372.70	6.74	-38.21
CCC(CC)(NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=NN=N[N-]1	REAL300019799905	0	41	-1.0	-46.18	353.00	4.85	-41.33
CCC(CC)(NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=N[N-]N=N1	REAL300019799905	1	41	-1.0	-46.20	352.93	4.85	-41.35
CCC(CC)(NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL300019799906	0	42	-1.0	-37.35	333.99	6.16	-31.19
CCC(CC)(NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL300019799906	1	42	-1.0	-37.34	334.05	6.16	-31.18
CCC(CC)(NC(=O)CC1=CC=CC2=CC=C(OC)C=C21)C1=N[N-]N=N1	REAL300019799907	0	48	-1.0	-40.60	372.48	6.53	-34.07
CCC(CC)(NC(=O)CC1=CC=CC2=CC=C(OC)C=C21)C1=NN=N[N-]1	REAL300019799907	1	48	-1.0	-40.59	372.55	6.54	-34.05
CCC(CC)(NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=N[N-]N=N1	REAL300019799908	0	46	-1.0	-36.30	350.17	5.07	-31.23
CCC(CC)(NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=NN=N[N-]1	REAL300019799908	1	46	-1.0	-36.32	350.23	5.08	-31.24
CCC(CC)(NC(=O)C1=CC=CC(OC)=C1F)C1=N[N-]N=N1	REAL300019799909	0	39	-1.0	-40.30	308.90	3.93	-36.37
CCC(CC)(NC(=O)C1=CC=CC(OC)=C1F)C1=NN=N[N-]1	REAL300019799909	1	39	-1.0	-40.26	308.96	3.94	-36.32
CCC(CC)(NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300019799910	0	44	-1.0	-44.63	356.66	6.87	-37.76
CCC(CC)(NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300019799910	1	44	-1.0	-44.56	356.59	6.86	-37.70
CCC(CC)(NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=N[N-]N=N1	REAL300019799911	0	51	-1.0	-40.04	400.20	6.87	-33.17
CCC(CC)(NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=NN=N[N-]1	REAL300019799911	1	51	-1.0	-40.05	400.27	6.88	-33.17
CCC(CC)(NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300019799912	0	44	-1.0	-36.80	371.07	6.19	-30.61
CCC(CC)(NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300019799912	1	44	-1.0	-36.81	371.00	6.17	-30.64
CCC(CC)(NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799913	0	58	-1.0	-42.10	426.12	5.97	-36.13
CCC(CC)(NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799913	1	58	-1.0	-42.11	426.19	5.97	-36.14
CCC(CC)(NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=NN=N[N-]1	REAL300019799914	0	44	-1.0	-39.67	355.23	4.95	-34.72
CCC(CC)(NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=N[N-]N=N1	REAL300019799914	1	44	-1.0	-39.69	355.17	4.93	-34.76
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300019799915	0	44	-1.0	-38.27	347.82	6.19	-32.08
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300019799915	1	44	-1.0	-38.27	347.75	6.18	-32.09
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=CC(OC)=C2)N1)C1=N[N-]N=N1	REAL300019799916	0	49	-1.0	-36.85	384.31	4.91	-31.94
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=CC(OC)=C2)N1)C1=NN=N[N-]1	REAL300019799916	1	49	-1.0	-36.87	384.37	4.91	-31.96
CCC(CC)(NC(=O)C1=CNC2=NC=NC2=C1)C1=NN=N[N-]1	REAL300019799917	0	37	-1.0	-43.52	296.31	3.30	-40.22
CCC(CC)(NC(=O)C1=CNC2=NC=NC2=C1)C1=N[N-]N=N1	REAL300019799917	1	37	-1.0	-43.53	296.25	3.29	-40.24
CCC(CC)(NC(=O)C1=CN=C2NC=NC2=C1)C1=NN=N[N-]1	REAL300019799917	1	37	-1.0	-40.34	296.59	3.35	-36.99
CCC(CC)(NC(=O)C1=CN=C2NC=NC2=C1)C1=N[N-]N=N1	REAL300019799917	1	37	-1.0	-40.35	296.53	3.33	-37.02
CCC(CC)(NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=N[N-]N=N1	REAL300019799918	0	48	-1.0	-44.24	394.08	0.21	-44.03
CCC(CC)(NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=NN=N[N-]1	REAL300019799918	1	48	-1.0	-44.25	394.14	0.22	-44.03
CCC(CC)(NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019799919	0	39	-1.0	-40.83	325.30	-2.40	-43.23
CCC(CC)(NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019799919	1	39	-1.0	-40.81	325.23	-2.40	-43.21
CCC(CC)(NC(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019799920	0	52	-1.0	-38.80	397.44	7.47	-31.33
CCC(CC)(NC(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019799920	1	52	-1.0	-38.81	397.50	7.48	-31.33
CCC(CC)(NC(=O)CC1=CNC2=CC=CC(Br)=C12)C1=N[N-]N=N1	REAL300019799921	0	42	-1.0	-40.47	346.54	5.54	-34.93
CCC(CC)(NC(=O)CC1=CNC2=CC=CC(Br)=C12)C1=NN=N[N-]1	REAL300019799921	1	42	-1.0	-40.48	346.60	5.56	-34.92
CCC(CC)(NC(=O)C(F)(F)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019799922	0	42	-1.0	-34.91	339.65	4.52	-30.39
CCC(CC)(NC(=O)C(F)(F)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019799922	1	42	-1.0	-34.88	339.59	4.51	-30.37
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=N[N-]N=N1	REAL300019799923	0	44	-1.0	-41.35	364.45	5.21	-36.14
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=NN=N[N-]1	REAL300019799923	1	44	-1.0	-41.29	364.52	5.22	-36.07
CCC(CC)(NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL300019799924	0	46	-1.0	-37.59	363.85	4.44	-33.15
CCC(CC)(NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL300019799924	1	46	-1.0	-37.58	363.91	4.45	-33.13
CCC(CC)(NC(=O)C1=CC(OC)=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL300019799925	0	44	-1.0	-36.05	345.21	1.49	-34.56
CCC(CC)(NC(=O)C1=CC(OC)=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL300019799925	1	44	-1.0	-36.02	345.28	1.50	-34.52
CCC(CC)(NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=N[N-]N=N1	REAL300019799926	0	38	-1.0	-36.58	307.22	2.95	-33.63
CCC(CC)(NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=NN=N[N-]1	REAL300019799926	1	38	-1.0	-36.61	307.29	2.95	-33.66
CCC(CC)(NC(=O)CCCCCCC(C)=O)C1=N[N-]N=N1	REAL300019799927	0	48	-1.0	-38.82	371.06	5.94	-32.88
CCC(CC)(NC(=O)CCCCCCC(C)=O)C1=NN=N[N-]1	REAL300019799927	1	48	-1.0	-38.78	371.13	5.95	-32.83
CCC(CC)(NC(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=NN=N[N-]1	REAL300019799928	0	50	-1.0	-41.65	379.00	4.07	-37.58
CCC(CC)(NC(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=N[N-]N=N1	REAL300019799928	1	50	-1.0	-41.67	378.93	4.06	-37.61
CCC(CC)(NC(=O)C(OC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799929	0	42	-1.0	-35.89	332.83	5.12	-30.77
CCC(CC)(NC(=O)C(OC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799929	1	42	-1.0	-35.90	332.90	5.13	-30.77
CCC(CC)(NC(=O)C1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300019799930	0	38	-1.0	-33.58	315.30	5.63	-27.95
CCC(CC)(NC(=O)C1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300019799930	1	38	-1.0	-33.52	315.36	5.64	-27.88
CCC(CC)(NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019799931	0	45	-1.0	-39.37	368.03	8.31	-31.06
CCC(CC)(NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019799931	1	45	-1.0	-39.40	368.09	8.31	-31.09
CCC(CC)(NC(=O)CCC1=CC=C(S(=O)(=O)CC)C=C1)C1=N[N-]N=N1	REAL300019799932	0	50	-1.0	-42.59	404.06	4.34	-38.25
CCC(CC)(NC(=O)CCC1=CC=C(S(=O)(=O)CC)C=C1)C1=NN=N[N-]1	REAL300019799932	1	50	-1.0	-42.62	404.12	4.36	-38.26
CCC(CC)(NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300019799933	0	53	-1.0	-35.02	397.57	8.35	-26.67
CCC(CC)(NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300019799933	1	53	-1.0	-35.03	397.63	8.36	-26.67
CCC(CC)(NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300019799934	0	35	-1.0	-33.45	302.97	5.08	-28.37
CCC(CC)(NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300019799934	1	35	-1.0	-33.47	303.03	5.09	-28.38
CCC(CC)(NC(=O)C1=C([N+](=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL300019799935	0	37	-1.0	-37.96	304.46	2.55	-35.41
CCC(CC)(NC(=O)C1=C([N+](=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL300019799935	1	37	-1.0	-37.96	304.39	2.54	-35.42
CCC(CC)(NC(=O)C1=C(C)N=C(N(C)C)S1)C1=N[N-]N=N1	REAL300019799936	0	42	-1.0	-37.45	335.96	4.01	-33.44
CCC(CC)(NC(=O)C1=C(C)N=C(N(C)C)S1)C1=NN=N[N-]1	REAL300019799936	1	42	-1.0	-37.46	336.03	4.02	-33.44
CCOC(=O)C1=CN=C(C)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019799937	0	46	-1.0	-37.34	363.93	4.89	-32.45
CCOC(=O)C1=CN=C(C)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019799937	1	46	-1.0	-37.39	364.00	4.90	-32.49
CCC(CC)(NC(=O)CC1=NOC(C)=C1C#N)C1=N[N-]N=N1	REAL300019799938	0	38	-1.0	-38.98	318.89	3.73	-35.25
CCC(CC)(NC(=O)CC1=NOC(C)=C1C#N)C1=NN=N[N-]1	REAL300019799938	1	38	-1.0	-39.00	318.96	3.74	-35.26
CCC(CC)(NC(=O)C(C)N1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019799939	0	47	-1.0	-35.18	346.83	4.61	-30.57
CCC(CC)(NC(=O)C(C)N1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019799939	1	47	-1.0	-35.17	346.90	4.62	-30.55
CCC(CC)(NC(=O)C1CCC2=NNC=C2C1)C1=N[N-]N=N1	REAL300019799940	0	42	-1.0	-36.68	319.85	3.18	-33.50
CCC(CC)(NC(=O)C1CCC2=NNC=C2C1)C1=NN=N[N-]1	REAL300019799940	1	42	-1.0	-36.67	319.92	3.20	-33.47
CCC(CC)(NC(=O)C1=CN=C(C2CCCO2)S1)C1=N[N-]N=N1	REAL300019799941	0	42	-1.0	-37.09	340.44	2.68	-34.41
CCC(CC)(NC(=O)C1=CN=C(C2CCCO2)S1)C1=NN=N[N-]1	REAL300019799941	1	42	-1.0	-37.14	340.51	2.67	-34.47
CCC(CC)(NC(=O)C1=CC(F)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019799942	0	40	-1.0	-41.95	321.41	5.33	-36.62
CCC(CC)(NC(=O)C1=CC(F)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019799942	1	40	-1.0	-41.91	321.34	5.32	-36.59
CCC(CC)(NC(=O)CCC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL300019799943	0	40	-1.0	-35.51	323.22	4.22	-31.29
CCC(CC)(NC(=O)CCC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL300019799943	1	40	-1.0	-35.50	323.15	4.21	-31.29
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=C(C(C)=O)C=C2)C=C1)C1=N[N-]N=N1	REAL300019799944	0	51	-1.0	-37.54	407.06	7.79	-29.75
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=C(C(C)=O)C=C2)C=C1)C1=NN=N[N-]1	REAL300019799944	1	51	-1.0	-37.56	407.12	7.80	-29.76
CCC(CC)(NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=NN=N[N-]1	REAL300019799945	0	41	-1.0	-37.96	340.19	2.57	-35.39
CCC(CC)(NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=N[N-]N=N1	REAL300019799945	1	41	-1.0	-37.99	340.13	2.56	-35.43
CCC(CC)(NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL300019799946	0	47	-1.0	-36.14	355.07	1.45	-34.69
CCC(CC)(NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL300019799946	1	47	-1.0	-36.15	355.00	1.43	-34.72
CCC(CC)(NC(=O)C1=CC=CC(C)=C1Br)C1=N[N-]N=N1	REAL300019799947	0	38	-1.0	-36.16	309.51	5.74	-30.42
CCC(CC)(NC(=O)C1=CC=CC(C)=C1Br)C1=NN=N[N-]1	REAL300019799947	1	38	-1.0	-36.18	309.58	5.75	-30.43
CCC(CC)(NC(=O)C1CCC2CCCCC2C1)C1=N[N-]N=N1	REAL300019799948	0	51	-1.0	-34.65	351.69	6.66	-27.99
CCC(CC)(NC(=O)C1CCC2CCCCC2C1)C1=NN=N[N-]1	REAL300019799948	1	51	-1.0	-34.62	351.75	6.68	-27.94
CCC(CC)(NC(=O)C1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300019799949	0	35	-1.0	-33.68	297.63	5.13	-28.55
CCC(CC)(NC(=O)C1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300019799949	1	35	-1.0	-33.67	297.70	5.13	-28.54
CCC(CC)(NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019799950	0	51	-1.0	-35.05	389.29	2.90	-32.15
CCC(CC)(NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019799950	1	51	-1.0	-35.11	389.35	2.92	-32.19
CCC(CC)(NC(=O)CCCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300019799951	0	44	-1.0	-36.78	355.25	6.80	-29.98
CCC(CC)(NC(=O)CCCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300019799951	1	44	-1.0	-36.78	355.32	6.81	-29.97
CCC(CC)(NC(=O)C(C)CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019799952	0	48	-1.0	-35.72	366.76	5.68	-30.04
CCC(CC)(NC(=O)C(C)CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019799952	1	48	-1.0	-35.74	366.82	5.70	-30.04
CCC(CC)(NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019799953	0	49	-1.0	-38.80	387.87	6.45	-32.35
CCC(CC)(NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019799953	1	49	-1.0	-38.78	387.94	6.46	-32.32
CCC(CC)(NC(=O)CCCSC(C)(C)C)C1=N[N-]N=N1	REAL300019799954	0	47	-1.0	-36.01	363.05	6.12	-29.89
CCC(CC)(NC(=O)CCCSC(C)(C)C)C1=NN=N[N-]1	REAL300019799954	1	47	-1.0	-36.05	363.12	6.14	-29.91
CCC(CC)(NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300019799955	0	56	-1.0	-35.79	424.54	9.39	-26.40
CCC(CC)(NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300019799955	1	56	-1.0	-35.82	424.61	9.41	-26.41
CCC(CC)(NC(=O)CC(C)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL300019799956	0	46	-1.0	-36.02	347.04	4.95	-31.07
CCC(CC)(NC(=O)CC(C)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL300019799956	1	46	-1.0	-36.01	347.10	4.97	-31.04
CCC(CC)(NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019799957	0	50	-1.0	-35.67	369.43	7.26	-28.41
CCC(CC)(NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799957	1	50	-1.0	-35.69	369.49	7.27	-28.42
CCC(CC)(NC(=O)CCCC1=CC=C(OC)C=C1OC)C1=N[N-]N=N1	REAL300019799958	0	52	-1.0	-39.00	401.19	5.36	-33.64
CCC(CC)(NC(=O)CCCC1=CC=C(OC)C=C1OC)C1=NN=N[N-]1	REAL300019799958	1	52	-1.0	-38.97	401.25	5.38	-33.59
CCC(CC)(NC(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C1=N[N-]N=N1	REAL300019799959	0	44	-1.0	-42.28	357.20	2.98	-39.30
CCC(CC)(NC(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C1=NN=N[N-]1	REAL300019799959	1	44	-1.0	-42.27	357.26	2.98	-39.29
CCC(CC)(NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=N[N-]N=N1	REAL300019799960	0	43	-1.0	-40.68	341.02	1.28	-39.40
CCC(CC)(NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=NN=N[N-]1	REAL300019799960	1	43	-1.0	-40.68	341.09	1.29	-39.39
CCC(CC)(NC(=O)CC(C)C1=C(C)NN=C1C)C1=NN=N[N-]1	REAL300019799961	0	47	-1.0	-36.88	349.27	3.70	-33.18
CCC(CC)(NC(=O)CC(C)C1=C(C)NN=C1C)C1=N[N-]N=N1	REAL300019799961	1	47	-1.0	-36.90	349.20	3.69	-33.21
CCC(CC)(NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL300019799962	0	45	-1.0	-38.69	346.76	4.49	-34.20
CCC(CC)(NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=N[N-]N=N1	REAL300019799962	1	45	-1.0	-38.67	346.70	4.48	-34.19
CCC(CC)(NC(=O)C1CCCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL300019799963	0	46	-1.0	-35.43	346.12	2.83	-32.60
CCC(CC)(NC(=O)C1CCCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL300019799963	1	46	-1.0	-35.42	346.18	2.85	-32.57
CCC(CC)(NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL300019799964	0	41	-1.0	-44.59	327.47	4.47	-40.12
CCC(CC)(NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL300019799964	1	41	-1.0	-44.60	327.40	4.47	-40.13
CCC(CC)(NC(=O)CC1COC2=CC(OC)=CC=C21)C1=N[N-]N=N1	REAL300019799965	0	47	-1.0	-37.14	362.74	4.21	-32.93
CCC(CC)(NC(=O)CC1COC2=CC(OC)=CC=C21)C1=NN=N[N-]1	REAL300019799965	1	47	-1.0	-37.17	362.80	4.22	-32.95
CCC(CC)(NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL300019799966	0	48	-1.0	-38.17	361.90	5.59	-32.58
CCC(CC)(NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL300019799966	1	48	-1.0	-38.16	361.96	5.60	-32.56
CCC1=CSC(N2C=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)C=N2)=N1	REAL300019799967	0	44	-1.0	-40.86	367.21	5.16	-35.70
CCC1=CSC(N2C=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)C=N2)=N1	REAL300019799967	1	44	-1.0	-40.83	367.15	5.14	-35.69
CCC(CC)(NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=NN=N[N-]1	REAL300019799968	0	41	-1.0	-49.95	331.27	6.01	-43.94
CCC(CC)(NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=N[N-]N=N1	REAL300019799968	1	41	-1.0	-49.94	331.21	6.00	-43.94
CCC(CC)(NC(=O)C(C)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019799969	0	41	-1.0	-37.40	323.73	5.66	-31.74
CCC(CC)(NC(=O)C(C)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019799969	1	41	-1.0	-37.41	323.80	5.68	-31.73
CCC(CC)(NC(=O)CC1=CC=CC(OCC#N)=C1)C1=N[N-]N=N1	REAL300019799970	0	43	-1.0	-41.87	350.43	5.24	-36.63
CCC(CC)(NC(=O)CC1=CC=CC(OCC#N)=C1)C1=NN=N[N-]1	REAL300019799970	1	43	-1.0	-41.88	350.49	5.25	-36.63
CCC(CC)(NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=NN=N[N-]1	REAL300019799971	0	45	-1.0	-43.47	365.12	4.91	-38.56
CCC(CC)(NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=N[N-]N=N1	REAL300019799971	1	45	-1.0	-43.48	365.06	4.90	-38.58
CCC(CC)(NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=N[N-]N=N1	REAL300019799972	0	46	-1.0	-37.57	350.76	5.44	-32.13
CCC(CC)(NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=NN=N[N-]1	REAL300019799972	1	46	-1.0	-37.58	350.83	5.45	-32.13
CCC(CC)(NC(=O)CCC1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL300019799973	0	44	-1.0	-38.29	342.47	4.13	-34.16
CCC(CC)(NC(=O)CCC1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL300019799973	1	44	-1.0	-38.27	342.54	4.14	-34.13
CCC(CC)(NC(=O)CC1CCC(OC)CC1)C1=N[N-]N=N1	REAL300019799974	0	48	-1.0	-35.20	350.71	4.53	-30.67
CCC(CC)(NC(=O)CC1CCC(OC)CC1)C1=NN=N[N-]1	REAL300019799974	1	48	-1.0	-35.14	350.78	4.54	-30.60
CCC(CC)(NC(=O)C1=C(C)N(CCOC2CCCCO2)N=C1)C1=N[N-]N=N1	REAL300019799975	0	56	-1.0	-39.37	426.81	4.93	-34.44
CCC(CC)(NC(=O)C1=C(C)N(CCOC2CCCCO2)N=C1)C1=NN=N[N-]1	REAL300019799975	1	56	-1.0	-39.43	426.88	4.95	-34.48
CCC(CC)(NC(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=NN=N[N-]1	REAL300019799976	0	40	-1.0	-35.15	323.64	4.91	-30.24
CCC(CC)(NC(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=N[N-]N=N1	REAL300019799976	1	40	-1.0	-35.20	323.57	4.89	-30.31
CCC(CC)(NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL300019799977	0	41	-1.0	-38.20	338.17	2.43	-35.77
CCC(CC)(NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL300019799977	1	41	-1.0	-38.18	338.11	2.42	-35.76
CCC(CC)(NC(=O)CCC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300019799978	0	41	-1.0	-35.11	348.64	6.57	-28.54
CCC(CC)(NC(=O)CCC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300019799978	1	41	-1.0	-35.10	348.71	6.59	-28.51
CCC(CC)N1N=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1C	REAL300019799979	0	50	-1.0	-41.58	381.50	5.78	-35.80
CCC(CC)N1N=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1C	REAL300019799979	1	50	-1.0	-41.53	381.57	5.79	-35.74
CCC(CC)(NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=N[N-]N=N1	REAL300019799980	0	51	-1.0	-41.73	384.63	6.13	-35.60
CCC(CC)(NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=NN=N[N-]1	REAL300019799980	1	51	-1.0	-41.74	384.69	6.15	-35.59
CCC(CC)(NC(=O)C(C)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019799981	0	44	-1.0	-35.75	351.14	6.79	-28.96
CCC(CC)(NC(=O)C(C)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019799981	1	44	-1.0	-35.77	351.21	6.81	-28.96
CCC(CC)(NC(=O)C=CC1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL300019799982	0	42	-1.0	-40.50	332.20	3.92	-36.58
CCC(CC)(NC(=O)C=CC1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL300019799982	1	42	-1.0	-40.50	332.27	3.93	-36.57
CCC(CC)(NC(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019799983	0	46	-1.0	-40.40	395.49	7.51	-32.89
CCC(CC)(NC(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019799983	1	46	-1.0	-40.41	395.55	7.52	-32.89
CCC(CC)(NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300019799984	0	46	-1.0	-49.68	364.86	6.19	-43.49
CCC(CC)(NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300019799984	1	46	-1.0	-49.62	364.92	6.20	-43.42
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300019799985	0	38	-1.0	-37.97	314.78	5.23	-32.74
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300019799985	1	38	-1.0	-38.01	314.71	5.22	-32.79
CCC(CC)(NC(=O)C1=C(C)N=C(COC)S1)C1=N[N-]N=N1	REAL300019799986	0	41	-1.0	-35.54	334.83	2.07	-33.47
CCC(CC)(NC(=O)C1=C(C)N=C(COC)S1)C1=NN=N[N-]1	REAL300019799986	1	41	-1.0	-35.55	334.89	2.08	-33.47
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=N[N-]N=N1	REAL300019799987	0	48	-1.0	-35.50	376.24	6.27	-29.23
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=NN=N[N-]1	REAL300019799987	1	48	-1.0	-35.49	376.31	6.28	-29.21
CCC(CC)(NC(=O)CS(=O)(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300019799988	0	43	-1.0	-45.46	337.28	1.11	-44.35
CCC(CC)(NC(=O)CS(=O)(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300019799988	1	43	-1.0	-45.48	337.35	1.12	-44.36
CCC(CC)(NC(=O)CSC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL300019799989	0	43	-1.0	-38.54	347.72	4.92	-33.62
CCC(CC)(NC(=O)CSC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL300019799989	1	43	-1.0	-38.52	347.78	4.93	-33.59
CCC(CC)(NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019799990	0	44	-1.0	-34.37	354.00	6.91	-27.46
CCC(CC)(NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019799990	1	44	-1.0	-34.38	354.06	6.93	-27.45
CCC(CC)(NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=NN=N[N-]1	REAL300019799991	0	41	-1.0	-36.85	337.90	2.44	-34.41
CCC(CC)(NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=N[N-]N=N1	REAL300019799991	1	41	-1.0	-36.85	337.83	2.42	-34.43
CCC(CC)(NC(=O)C1=C(C)N(C2=CC=NC=C2)N=C1)C1=N[N-]N=N1	REAL300019799992	0	44	-1.0	-37.81	346.80	4.26	-33.55
CCC(CC)(NC(=O)C1=C(C)N(C2=CC=NC=C2)N=C1)C1=NN=N[N-]1	REAL300019799992	1	44	-1.0	-37.85	346.86	4.27	-33.58
CCC(CC)(NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300019799993	0	47	-1.0	-39.04	379.56	5.21	-33.83
CCC(CC)(NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300019799993	1	47	-1.0	-39.07	379.63	5.22	-33.85
CCC(CC)(NC(=O)CC1=C(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019799994	0	44	-1.0	-39.02	349.44	6.28	-32.74
CCC(CC)(NC(=O)CC1=C(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019799994	1	44	-1.0	-39.00	349.51	6.29	-32.71
CCC(CC)(NC(=O)CC1=CC=CC(S(=O)(=O)CC)=C1)C1=N[N-]N=N1	REAL300019799995	0	47	-1.0	-45.03	381.88	3.64	-41.39
CCC(CC)(NC(=O)CC1=CC=CC(S(=O)(=O)CC)=C1)C1=NN=N[N-]1	REAL300019799995	1	47	-1.0	-45.04	381.94	3.65	-41.39
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C1CCC(C)CC1	REAL300019799996	0	53	-1.0	-34.27	362.45	6.68	-27.59
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C1CCC(C)CC1	REAL300019799996	1	53	-1.0	-34.25	362.51	6.69	-27.56
CCC(CC)(NC(=O)C1=NN(CC(C)C)C(=O)CC1)C1=N[N-]N=N1	REAL300019799997	0	48	-1.0	-35.44	365.16	3.82	-31.62
CCC(CC)(NC(=O)C1=NN(CC(C)C)C(=O)CC1)C1=NN=N[N-]1	REAL300019799997	1	48	-1.0	-35.47	365.23	3.83	-31.64
CCC(CC)(NC(=O)CCC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300019799998	0	51	-1.0	-40.61	401.74	4.94	-35.67
CCC(CC)(NC(=O)CCC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300019799998	1	51	-1.0	-40.67	401.81	4.95	-35.72
CCC(CC)(NC(=O)C1=CC(C)=CC(C)=C1Br)C1=N[N-]N=N1	REAL300019799999	0	41	-1.0	-36.08	330.91	6.41	-29.67
CCC(CC)(NC(=O)C1=CC(C)=CC(C)=C1Br)C1=NN=N[N-]1	REAL300019799999	1	41	-1.0	-36.06	330.98	6.41	-29.65
CCC(CC)(NC(=O)CC1=NN=C(NC)S1)C1=N[N-]N=N1	REAL300019800000	0	38	-1.0	-40.49	318.30	1.35	-39.14
CCC(CC)(NC(=O)CC1=NN=C(NC)S1)C1=NN=N[N-]1	REAL300019800000	1	38	-1.0	-40.51	318.37	1.37	-39.14
CCC1=CC=C(C=CC(=O)NC(CC)(CC)C2=N[N-]N=N2)O1	REAL300019800001	0	42	-1.0	-37.41	336.41	5.44	-31.97
CCC1=CC=C(C=CC(=O)NC(CC)(CC)C2=NN=N[N-]2)O1	REAL300019800001	1	42	-1.0	-37.39	336.47	5.45	-31.94
CCC(CC)(NC(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019800002	0	42	-1.0	-36.00	347.42	6.65	-29.35
CCC(CC)(NC(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019800002	1	42	-1.0	-36.02	347.48	6.67	-29.35
CCC(CC)(NC(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019800003	0	39	-1.0	-35.74	329.37	5.83	-29.91
CCC(CC)(NC(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019800003	1	39	-1.0	-35.75	329.44	5.85	-29.90
CCC(CC)(NC(=O)C1=CC=C(OC)C(Cl)=N1)C1=NN=N[N-]1	REAL300019800004	0	38	-1.0	-40.31	318.92	2.52	-37.79
CCC(CC)(NC(=O)C1=CC=C(OC)C(Cl)=N1)C1=N[N-]N=N1	REAL300019800004	1	38	-1.0	-40.29	318.85	2.51	-37.78
CCC(CC)(NC(=O)C1=CC=C(C(C)C)S1)C1=N[N-]N=N1	REAL300019800005	0	41	-1.0	-35.56	330.83	5.60	-29.96
CCC(CC)(NC(=O)C1=CC=C(C(C)C)S1)C1=NN=N[N-]1	REAL300019800005	1	41	-1.0	-35.55	330.90	5.61	-29.94
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019800006	0	49	-1.0	-39.49	384.95	7.66	-31.83
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019800006	1	49	-1.0	-39.55	385.01	7.68	-31.87
CCC(CC)(NC(=O)C(=O)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL300019800007	0	41	-1.0	-39.88	323.74	4.82	-35.06
CCC(CC)(NC(=O)C(=O)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL300019800007	1	41	-1.0	-39.90	323.80	4.84	-35.06
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NN=N[N-]1	REAL300019800008	0	42	-1.0	-36.94	346.26	5.76	-31.18
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=N[N-]N=N1	REAL300019800008	1	42	-1.0	-37.01	346.19	5.76	-31.25
CCC(CC)(NC(=O)C1=CC=C(N(C)C)C=N1)C1=NN=N[N-]1	REAL300019800009	0	42	-1.0	-39.88	323.46	3.23	-36.65
CCC(CC)(NC(=O)C1=CC=C(N(C)C)C=N1)C1=N[N-]N=N1	REAL300019800009	1	42	-1.0	-39.87	323.40	3.20	-36.67
CCC(CC)(NC(=O)CN1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL300019800010	0	44	-1.0	-42.28	332.28	0.52	-41.76
CCC(CC)(NC(=O)CN1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL300019800010	1	44	-1.0	-42.26	332.35	0.53	-41.73
CCC(CC)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL300019800011	0	53	0.0	-53.05	342.27	6.33	-46.72
CCC(CC)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL300019800011	1	53	0.0	-53.14	342.33	6.33	-46.81
CCC(CC)(NC(=O)C1=C2SC=CC2=CC=C1)C1=NN=N[N-]1	REAL300019800012	0	38	-1.0	-37.79	309.60	5.91	-31.88
CCC(CC)(NC(=O)C1=C2SC=CC2=CC=C1)C1=N[N-]N=N1	REAL300019800012	1	38	-1.0	-37.79	309.53	5.91	-31.88
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=NN=N[N-]1	REAL300019800013	0	38	-1.0	-35.39	308.82	2.55	-32.84
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=N[N-]N=N1	REAL300019800013	1	38	-1.0	-35.34	308.75	2.55	-32.79
CCC(CC)(NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=N[N-]N=N1	REAL300019800014	0	49	-1.0	-36.39	362.70	5.84	-30.55
CCC(CC)(NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=NN=N[N-]1	REAL300019800014	1	49	-1.0	-36.38	362.76	5.84	-30.54
CCC(CC)(NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300019800015	0	44	-1.0	-37.94	373.26	4.23	-33.71
CCC(CC)(NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300019800015	1	44	-1.0	-37.90	373.19	4.22	-33.68
CCC(CC)(NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=NN=N[N-]1	REAL300019800016	0	45	-1.0	-45.73	372.88	6.13	-39.60
CCC(CC)(NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=N[N-]N=N1	REAL300019800016	1	45	-1.0	-45.73	372.82	6.11	-39.62
CCC(CC)(NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=N[N-]N=N1	REAL300019800017	0	51	-1.0	-39.88	403.88	5.92	-33.96
CCC(CC)(NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=NN=N[N-]1	REAL300019800017	1	51	-1.0	-39.86	403.95	5.94	-33.92
CCC(CC)(NC(=O)C1=CC=CC(CNC2=CC=[NH+]C(C)=N2)=C1)C1=NN=N[N-]1	REAL300019800017	1	52	0.0	-58.98	407.08	6.39	-52.59
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300019800018	0	40	-2.0	-76.56	345.79	0.64	-75.92
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300019800018	1	40	-2.0	-76.56	345.86	0.65	-75.91
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL300019800019	0	39	-2.0	-83.63	318.18	2.52	-81.11
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL300019800019	1	39	-2.0	-83.62	318.25	2.53	-81.09
CCC(CC)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019800020	0	35	-2.0	-78.25	304.68	3.12	-75.13
CCC(CC)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019800020	1	35	-2.0	-78.24	304.75	3.12	-75.12
CCC(CC)(NC(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019800021	0	53	0.0	-54.22	374.48	6.46	-47.76
CCC(CC)(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019800021	1	53	0.0	-54.22	374.48	6.46	-47.76
CCC(CC)(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019800021	1	53	0.0	-54.24	374.54	6.47	-47.77
CCC(CC)(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019800021	1	53	0.0	-54.27	374.55	6.47	-47.80
CCC1CCCCC1OCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019800022	0	51	-1.0	-35.94	374.80	6.26	-29.68
CCC1CCCCC1OCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019800022	1	51	-1.0	-35.97	374.87	6.27	-29.70
CCC(CC)(NC(=O)C(=O)C1=CC=C(OC)C(Cl)=C1)C1=N[N-]N=N1	REAL300019800023	0	41	-1.0	-36.55	341.79	4.12	-32.43
CCC(CC)(NC(=O)C(=O)C1=CC=C(OC)C(Cl)=C1)C1=NN=N[N-]1	REAL300019800023	1	41	-1.0	-36.53	341.85	4.14	-32.39
CCC(CC)(NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300019800024	0	45	-1.0	-38.20	356.04	4.27	-33.93
CCC(CC)(NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300019800024	1	45	-1.0	-38.16	355.98	4.26	-33.90
CCC(CC)(NC(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300019800025	0	52	-1.0	-46.51	408.06	5.69	-40.82
CCC(CC)(NC(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300019800025	1	52	-1.0	-46.47	408.12	5.71	-40.76
CCC(CC)(NC(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019800026	0	54	-1.0	-36.35	418.32	3.15	-33.20
CCC(CC)(NC(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019800026	1	54	-1.0	-36.35	418.39	3.16	-33.19
CCC(CC)(NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019800027	0	45	-1.0	-42.93	372.60	5.20	-37.73
CCC(CC)(NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019800027	1	45	-1.0	-42.94	372.67	5.22	-37.72
CCC(CC)(NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=NN=N[N-]1	REAL300019800028	0	46	-1.0	-36.03	359.94	1.72	-34.31
CCC(CC)(NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=N[N-]N=N1	REAL300019800028	1	46	-1.0	-36.03	359.87	1.71	-34.32
CCC(CC)(NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019800029	0	47	-1.0	-36.55	382.12	7.71	-28.84
CCC(CC)(NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019800029	1	47	-1.0	-36.52	382.19	7.72	-28.80
CCC(CC)(NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019800030	0	39	-1.0	-41.52	323.61	1.12	-40.40
CCC(CC)(NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019800030	1	39	-1.0	-41.53	323.55	1.11	-40.42
CCC(CC)(NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019800031	0	55	-1.0	-40.18	407.40	8.25	-31.93
CCC(CC)(NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019800031	1	55	-1.0	-40.21	407.47	8.27	-31.94
CCC(CC)(NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=N[N-]N=N1	REAL300019800032	0	45	-1.0	-35.35	353.10	5.01	-30.34
CCC(CC)(NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=NN=N[N-]1	REAL300019800032	1	45	-1.0	-35.43	353.17	5.03	-30.40
CCC(CC)(NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300019800033	0	43	-1.0	-37.91	355.64	3.32	-34.59
CCC(CC)(NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300019800033	1	43	-1.0	-37.96	355.71	3.33	-34.63
CCC(CC)(NC(=O)C1=C2C=CC=NN2N=C1)C1=NN=N[N-]1	REAL300019800034	0	37	-1.0	-43.59	299.01	2.49	-41.10
CCC(CC)(NC(=O)C1=C2C=CC=NN2N=C1)C1=N[N-]N=N1	REAL300019800034	1	37	-1.0	-43.60	298.95	2.47	-41.13
CCC(CC)(NC(=O)CN1C(C)=CC(C)=NC1=O)C1=N[N-]N=N1	REAL300019800035	0	43	-1.0	-49.58	337.47	2.70	-46.88
CCC(CC)(NC(=O)CN1C(C)=CC(C)=NC1=O)C1=NN=N[N-]1	REAL300019800035	1	43	-1.0	-49.59	337.53	2.71	-46.88
CCC(CC)(NC(=O)C1=CC(Br)=C(C)NC1=O)C1=N[N-]N=N1	REAL300019800036	0	38	-1.0	-46.48	316.54	2.88	-43.60
CCC(CC)(NC(=O)C1=CC(Br)=C(C)NC1=O)C1=NN=N[N-]1	REAL300019800036	1	38	-1.0	-46.48	316.61	2.88	-43.60
CCC(CC)(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL300019800037	0	43	-2.0	-78.55	342.22	1.07	-77.48
CCC(CC)(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=NN=N[N-]1	REAL300019800037	1	43	-2.0	-78.59	342.30	1.06	-77.53
CCC(CC)(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL300019800037	1	44	-1.0	-32.56	345.80	2.21	-30.35
CCNS(=O)(=O)C1=CC=C(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019800038	0	49	-1.0	-41.82	398.14	2.15	-39.67
CCNS(=O)(=O)C1=CC=C(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019800038	1	49	-1.0	-41.87	398.21	2.16	-39.71
CCC(CC)(NC(=O)C1=C(C)N=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019800039	0	41	-1.0	-36.06	326.11	2.20	-33.86
CCC(CC)(NC(=O)C1=C(C)N=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019800039	1	41	-1.0	-36.06	326.17	2.22	-33.84
CCC(CC)(NC(=O)CC1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL300019800040	0	43	-1.0	-36.98	336.47	4.42	-32.56
CCC(CC)(NC(=O)CC1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL300019800040	1	43	-1.0	-36.98	336.53	4.43	-32.55
CCC(CC)(NC(=O)C(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019800041	0	37	-1.0	-33.82	302.79	4.33	-29.49
CCC(CC)(NC(=O)C(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019800041	1	37	-1.0	-33.85	302.86	4.35	-29.50
CCC(CC)(NC(=O)CC1=CC=C(S(=O)(=O)NC)C=C1)C1=N[N-]N=N1	REAL300019800042	0	46	-1.0	-42.31	377.11	1.29	-41.02
CCC(CC)(NC(=O)CC1=CC=C(S(=O)(=O)NC)C=C1)C1=NN=N[N-]1	REAL300019800042	1	46	-1.0	-42.27	377.17	1.30	-40.97
CCC(CC)(NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019800043	0	42	-1.0	-36.93	354.32	7.11	-29.82
CCC(CC)(NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019800043	1	42	-1.0	-36.95	354.39	7.13	-29.82
CCC(CC)(NC(=O)C1=NC(C)=C(C)N=C1C)C1=N[N-]N=N1	REAL300019800044	0	42	-1.0	-38.20	323.03	2.61	-35.59
CCC(CC)(NC(=O)C1=NC(C)=C(C)N=C1C)C1=NN=N[N-]1	REAL300019800044	1	42	-1.0	-38.24	323.10	2.62	-35.62
CCC(CC)(NC(=O)C1=CC(C)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019800045	0	38	-1.0	-34.98	318.56	5.72	-29.26
CCC(CC)(NC(=O)C1=CC(C)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019800045	1	38	-1.0	-34.96	318.62	5.74	-29.22
CCC(CC)(NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300019800046	0	43	-1.0	-34.75	349.68	6.36	-28.39
CCC(CC)(NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300019800046	1	43	-1.0	-34.73	349.74	6.38	-28.35
CCC(CC)(NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=NN=N[N-]1	REAL300019800047	0	40	-1.0	-37.27	318.94	3.03	-34.24
CCC(CC)(NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=N[N-]N=N1	REAL300019800047	1	40	-1.0	-37.25	318.87	3.02	-34.23
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019800048	0	45	-1.0	-50.36	367.20	7.04	-43.32
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019800048	1	45	-1.0	-50.36	367.13	7.03	-43.33
CCC(CC)(NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019800049	0	46	-1.0	-35.67	374.17	6.88	-28.79
CCC(CC)(NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019800049	1	46	-1.0	-35.65	374.24	6.90	-28.75
CCC(CC)(NC(=O)CC1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL300019800050	0	48	-1.0	-34.41	345.36	4.25	-30.16
CCC(CC)(NC(=O)CC1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL300019800050	1	48	-1.0	-34.45	345.42	4.26	-30.19
CCC(CC)(NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=N[N-]N=N1	REAL300019800051	0	43	-1.0	-37.80	353.05	5.48	-32.32
CCC(CC)(NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=NN=N[N-]1	REAL300019800051	1	43	-1.0	-37.78	353.12	5.49	-32.29
CCC(CC)(NC(=O)CC(C)(C)CC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019800052	0	56	-1.0	-41.19	415.30	6.89	-34.30
CCC(CC)(NC(=O)CC(C)(C)CC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019800052	1	56	-1.0	-41.19	415.36	6.90	-34.29
CCC(CC)(NC(=O)C(=O)N1CCC(C)CC1)C1=N[N-]N=N1	REAL300019800053	0	45	-1.0	-35.83	334.80	3.31	-32.52
CCC(CC)(NC(=O)C(=O)N1CCC(C)CC1)C1=NN=N[N-]1	REAL300019800053	1	45	-1.0	-35.81	334.87	3.33	-32.48
CCC(CC)(NC(=O)C(=O)N1CCCC(C)C1)C1=N[N-]N=N1	REAL300019800054	0	45	-1.0	-35.88	334.44	3.52	-32.36
CCC(CC)(NC(=O)C(=O)N1CCCC(C)C1)C1=NN=N[N-]1	REAL300019800054	1	45	-1.0	-35.88	334.51	3.52	-32.36
CCC(CC)(NC(=O)C1=COC(C2CCOCC2)=N1)C1=N[N-]N=N1	REAL300019800055	0	45	-1.0	-37.93	351.73	0.65	-37.28
CCC(CC)(NC(=O)C1=COC(C2CCOCC2)=N1)C1=NN=N[N-]1	REAL300019800055	1	45	-1.0	-37.89	351.80	0.66	-37.23
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=N[N-]N=N1	REAL300019800056	0	46	-2.0	-94.13	376.61	1.90	-92.23
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=NN=N[N-]1	REAL300019800056	1	46	-2.0	-94.14	376.67	1.90	-92.24
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1O)C1=N[N-]N=N1	REAL300019800056	1	47	-1.0	-42.89	378.59	0.97	-41.92
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1O)C1=NN=N[N-]1	REAL300019800056	1	47	-1.0	-42.87	378.66	0.97	-41.90
CCC(CC)(NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=NN=N[N-]1	REAL300019800057	0	48	-1.0	-34.83	369.14	4.32	-30.51
CCC(CC)(NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=N[N-]N=N1	REAL300019800057	1	48	-1.0	-34.81	369.07	4.31	-30.50
CCC(CC)(NC(=O)C1=CC=CC(C(N)=O)=N1)C1=NN=N[N-]1	REAL300019800058	0	38	-1.0	-37.23	310.09	-0.44	-37.67
CCC(CC)(NC(=O)C1=CC=CC(C(N)=O)=N1)C1=N[N-]N=N1	REAL300019800058	1	38	-1.0	-37.17	310.03	-0.45	-37.62
CCC(CC)(NC(=O)CCCCC(=O)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019800059	0	53	-1.0	-40.28	414.41	6.63	-33.65
CCC(CC)(NC(=O)CCCCC(=O)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019800059	1	53	-1.0	-40.28	414.48	6.64	-33.64
CCC(CC)(NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL300019800060	0	50	-1.0	-43.42	400.05	4.12	-39.30
CCC(CC)(NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL300019800060	1	50	-1.0	-43.44	400.11	4.14	-39.30
CCC(CC)(NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300019800061	0	41	-1.0	-36.30	327.44	6.17	-30.13
CCC(CC)(NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300019800061	1	41	-1.0	-36.31	327.51	6.18	-30.13
CCC(CC)(NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=N[N-]N=N1	REAL300019800062	0	40	-1.0	-35.52	318.58	5.01	-30.51
CCC(CC)(NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=NN=N[N-]1	REAL300019800062	1	40	-1.0	-35.53	318.65	5.03	-30.50
CCC(CC)(NC(=O)CC1CCOC(C(C)C)C1)C1=N[N-]N=N1	REAL300019800063	0	51	-1.0	-34.49	370.37	5.11	-29.38
CCC(CC)(NC(=O)CC1CCOC(C(C)C)C1)C1=NN=N[N-]1	REAL300019800063	1	51	-1.0	-34.52	370.43	5.12	-29.40
CCC(CC)(NC(=O)CNC(=O)C1=C(C)OC=C1)C1=N[N-]N=N1	REAL300019800064	0	42	-1.0	-37.34	336.51	1.71	-35.63
CCC(CC)(NC(=O)CNC(=O)C1=C(C)OC=C1)C1=NN=N[N-]1	REAL300019800064	1	42	-1.0	-37.32	336.58	1.72	-35.60
CCC(CC)(NC(=O)CSC1=NN=C2C=CC=CN21)C1=NN=N[N-]1	REAL300019800065	0	41	-1.0	-43.93	344.39	6.10	-37.83
CCC(CC)(NC(=O)CSC1=NN=C2C=CC=CN21)C1=N[N-]N=N1	REAL300019800065	1	41	-1.0	-43.92	344.32	6.09	-37.83
CCC(CC)(NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=N[N-]N=N1	REAL300019800066	0	42	-1.0	-36.48	351.70	6.29	-30.19
CCC(CC)(NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=NN=N[N-]1	REAL300019800066	1	42	-1.0	-36.46	351.77	6.29	-30.17
CCC1=NN=C(C)C=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019800067	0	42	-1.0	-33.32	322.15	3.66	-29.66
CCC1=NN=C(C)C=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019800067	1	42	-1.0	-33.27	322.21	3.66	-29.61
CCC1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C(C)N=N1	REAL300019800068	0	42	-1.0	-33.33	324.90	3.61	-29.72
CCC1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C(C)N=N1	REAL300019800068	1	42	-1.0	-33.32	324.96	3.62	-29.70
CCC(CC)(NC(=O)CC1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019801202	0	40	-1.0	-39.47	331.25	5.10	-34.37
CCC(CC)(NC(=O)CC1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019801202	1	40	-1.0	-39.46	331.31	5.11	-34.35
CCC(CC)(NC(=O)CC1=NOC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL300019801203	0	40	-1.0	-38.57	345.21	5.06	-33.51
CCC(CC)(NC(=O)CC1=NOC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL300019801203	1	40	-1.0	-38.55	345.28	5.07	-33.48
CCC(CC)(NC(=O)C=CC1=CC=C(C(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300019801204	0	45	-1.0	-35.23	364.71	7.15	-28.08
CCC(CC)(NC(=O)C=CC1=CC=C(C(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300019801204	1	45	-1.0	-35.25	364.77	7.17	-28.08
CCC(CC)(NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=N[N-]N=N1	REAL300019801205	0	43	-1.0	-43.55	358.90	5.33	-38.22
CCC(CC)(NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=NN=N[N-]1	REAL300019801205	1	43	-1.0	-43.55	358.97	5.35	-38.20
CCOCN1N=C(C)C(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1C	REAL300019801206	0	51	-1.0	-40.39	396.30	3.51	-36.88
CCOCN1N=C(C)C(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1C	REAL300019801206	1	51	-1.0	-40.39	396.36	3.52	-36.87
CCC(CC)(NC(=O)CC1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL300019801207	0	38	-1.0	-42.20	307.28	0.09	-42.11
CCC(CC)(NC(=O)CC1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL300019801207	1	38	-1.0	-42.17	307.35	0.11	-42.06
CCC(CC)(NC(=O)C(C)=CC1CCC(C)CC1)C1=N[N-]N=N1	REAL300019801208	0	51	-1.0	-34.65	365.41	7.11	-27.54
CCC(CC)(NC(=O)C(C)=CC1CCC(C)CC1)C1=NN=N[N-]1	REAL300019801208	1	51	-1.0	-34.62	365.48	7.13	-27.49
CCOCN1N=C(C)C(CC(C)C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1C	REAL300019801209	0	57	-1.0	-39.14	430.59	4.53	-34.61
CCOCN1N=C(C)C(CC(C)C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1C	REAL300019801209	1	57	-1.0	-39.14	430.65	4.55	-34.59
CCC(CC)(NC(=O)C1=CN=C2C=C(OC)C=CN12)C1=NN=N[N-]1	REAL300019801210	0	42	-1.0	-38.29	331.02	4.09	-34.20
CCC(CC)(NC(=O)C1=CN=C2C=C(OC)C=CN12)C1=N[N-]N=N1	REAL300019801210	1	42	-1.0	-38.30	330.96	4.07	-34.23
CCC(CC)(NC(=O)CS(=O)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL300019801211	0	44	-1.0	-48.86	360.52	2.49	-46.37
CCC(CC)(NC(=O)CS(=O)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL300019801211	1	44	-1.0	-48.88	360.58	2.50	-46.38
CCC(CC)(NC(=O)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)C1=N[N-]N=N1	REAL300019801212	0	48	-1.0	-36.09	382.55	6.86	-29.23
CCC(CC)(NC(=O)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)C1=NN=N[N-]1	REAL300019801212	1	48	-1.0	-36.08	382.61	6.86	-29.22
CCC(CC)(NC(=O)C1=CC(Br)=C(C)S1)C1=N[N-]N=N1	REAL300019801213	0	35	-1.0	-33.74	309.13	4.79	-28.95
CCC(CC)(NC(=O)C1=CC(Br)=C(C)S1)C1=NN=N[N-]1	REAL300019801213	1	35	-1.0	-33.74	309.20	4.80	-28.94
CCC(CC)(NC(=O)C1=COC2=C(C)C=CC=C12)C1=NN=N[N-]1	REAL300019801214	0	41	-1.0	-37.50	325.23	5.57	-31.93
CCC(CC)(NC(=O)C1=COC2=C(C)C=CC=C12)C1=N[N-]N=N1	REAL300019801214	1	41	-1.0	-37.53	325.16	5.57	-31.96
CCC(CC1=CC=CC=C1C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801215	0	50	-1.0	-35.43	367.76	7.58	-27.85
CCC(CC1=CC=CC=C1C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801215	1	50	-1.0	-35.41	367.83	7.59	-27.82
CCC(CC)(NC(=O)C1=NN(C2=CC(C)=CC(F)=C2)C2=C1CCC2)C1=N[N-]N=N1	REAL300019801216	0	52	-1.0	-40.90	409.67	8.22	-32.68
CCC(CC)(NC(=O)C1=NN(C2=CC(C)=CC(F)=C2)C2=C1CCC2)C1=NN=N[N-]1	REAL300019801216	1	52	-1.0	-40.86	409.74	8.22	-32.64
CCC(CC)(NC(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=NN=N[N-]1	REAL300019801217	0	44	-1.0	-41.43	351.48	8.11	-33.32
CCC(CC)(NC(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=N[N-]N=N1	REAL300019801217	1	44	-1.0	-41.43	351.42	8.09	-33.34
CCC(CC)(NC(=O)CCC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019801218	0	45	-1.0	-37.84	361.15	5.51	-32.33
CCC(CC)(NC(=O)CCC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019801218	1	45	-1.0	-37.85	361.22	5.52	-32.33
CCC(CC)(NC(=O)C1=C(C)OC(Br)=C1)C1=N[N-]N=N1	REAL300019801219	0	35	-1.0	-33.68	299.21	3.94	-29.74
CCC(CC)(NC(=O)C1=C(C)OC(Br)=C1)C1=NN=N[N-]1	REAL300019801219	1	35	-1.0	-33.71	299.28	3.96	-29.75
C=CCCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N=N1	REAL300019801220	0	41	-1.0	-40.76	332.87	2.95	-37.81
C=CCCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N=N1	REAL300019801220	1	41	-1.0	-40.78	332.81	2.94	-37.84
CCC(CC)(NC(=O)C1=NC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL300019801221	0	39	-1.0	-40.31	314.26	3.12	-37.19
CCC(CC)(NC(=O)C1=NC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL300019801221	1	39	-1.0	-40.26	314.19	3.11	-37.15
CCC(CC)(NC(=O)CC1=CC=CC(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300019801222	0	45	-1.0	-40.72	355.81	4.14	-36.58
CCC(CC)(NC(=O)CC1=CC=CC(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300019801222	1	45	-1.0	-40.78	355.87	4.15	-36.63
CCC(CC)(NC(=O)C1CC2CCC1N(C(=O)OC)C2)C1=N[N-]N=N1	REAL300019801223	0	50	-1.0	-38.71	367.61	4.28	-34.43
CCC(CC)(NC(=O)C1CC2CCC1N(C(=O)OC)C2)C1=NN=N[N-]1	REAL300019801223	1	50	-1.0	-38.70	367.68	4.30	-34.40
CCC(CC)(NC(=O)C1CC2C=CC1N(C(=O)OC)C2)C1=N[N-]N=N1	REAL300019801224	0	48	-1.0	-42.37	359.52	5.00	-37.37
CCC(CC)(NC(=O)C1CC2C=CC1N(C(=O)OC)C2)C1=NN=N[N-]1	REAL300019801224	1	48	-1.0	-42.33	359.59	5.01	-37.32
CCC(CC)(NC(=O)C(CCCC#N)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801225	0	55	-1.0	-38.33	420.43	3.94	-34.39
CCC(CC)(NC(=O)C(CCCC#N)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801225	1	55	-1.0	-38.28	420.49	3.96	-34.32
CCC(CC)(NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801226	0	49	-1.0	-39.87	375.58	3.57	-36.30
CCC(CC)(NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801226	1	49	-1.0	-39.88	375.65	3.58	-36.30
CCC(CC)(NC(=O)C1=C(N)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019801227	0	46	-1.0	-38.15	343.97	3.39	-34.76
CCC(CC)(NC(=O)C1=C(N)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019801227	1	46	-1.0	-38.19	343.90	3.39	-34.80
CCC(CC)(NC(=O)C1=CC=CC2=CC=CC(O)=C21)C1=NN=N[N-]1	REAL300019801228	0	42	-1.0	-39.51	329.10	5.18	-34.33
CCC(CC)(NC(=O)C1=CC=CC2=CC=CC(O)=C21)C1=N[N-]N=N1	REAL300019801228	1	42	-1.0	-39.47	329.04	5.17	-34.30
CCC(CC)(NC(=O)CC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300019801229	0	43	-1.0	-41.80	352.01	1.07	-40.73
CCC(CC)(NC(=O)CC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300019801229	1	43	-1.0	-41.79	352.08	1.09	-40.70
CCC(CC)(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019801230	0	47	0.0	-64.06	360.81	4.38	-59.68
CCC(CC)(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019801230	1	47	0.0	-64.10	360.74	4.37	-59.73
CCC(CC)(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300019801231	0	47	0.0	-53.17	355.94	4.26	-48.91
CCC(CC)(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300019801231	1	47	0.0	-53.12	355.87	4.24	-48.88
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300019801232	0	38	-1.0	-36.65	333.59	5.87	-30.78
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019801232	1	38	-1.0	-36.71	333.53	5.86	-30.85
CCC(CC)([N-]C(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019801232	1	37	-2.0	-101.07	331.05	4.48	-96.59
CCC(CC)(NC(=O)C1=CC(=O)C2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL300019801233	0	44	-1.0	-42.24	337.87	5.55	-36.69
CCC(CC)(NC(=O)C1=CC(=O)C2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL300019801233	1	44	-1.0	-42.23	337.81	5.54	-36.69
CCC(CC)(NC(=O)C1=CC=C(SC(F)(F)F)O1)C1=N[N-]N=N1	REAL300019801234	0	36	-1.0	-37.47	321.26	4.21	-33.26
CCC(CC)(NC(=O)C1=CC=C(SC(F)(F)F)O1)C1=NN=N[N-]1	REAL300019801234	1	36	-1.0	-37.51	321.32	4.23	-33.28
CCC(CC)(NC(=O)CC(C)N1C=C(Br)C=N1)C1=NN=N[N-]1	REAL300019801235	0	41	-1.0	-35.10	339.21	4.18	-30.92
CCC(CC)(NC(=O)CC(C)N1C=C(Br)C=N1)C1=N[N-]N=N1	REAL300019801235	1	41	-1.0	-35.11	339.15	4.17	-30.94
CCC(CC)(NC(=O)C1=C2C=CC(Br)=CC2=NN1C)C1=NN=N[N-]1	REAL300019801236	0	41	-1.0	-34.77	348.66	4.89	-29.88
CCC(CC)(NC(=O)C1=C2C=CC(Br)=CC2=NN1C)C1=N[N-]N=N1	REAL300019801236	1	41	-1.0	-34.76	348.60	4.88	-29.88
CCC(CC)(NC(=O)C1=CSC2=CC(Cl)=CN=C12)C1=NN=N[N-]1	REAL300019801237	0	37	-1.0	-38.75	324.45	4.56	-34.19
CCC(CC)(NC(=O)C1=CSC2=CC(Cl)=CN=C12)C1=N[N-]N=N1	REAL300019801237	1	37	-1.0	-38.77	324.38	4.55	-34.22
CCC(CC)(NC(=O)C1CCCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019801238	0	58	-1.0	-40.31	418.68	6.51	-33.80
CCC(CC)(NC(=O)C1CCCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019801238	1	58	-1.0	-40.27	418.74	6.52	-33.75
CCC(CC)(NC(=O)C1=CNC2=C(F)C(F)=CC=C2C1=O)C1=N[N-]N=N1	REAL300019801239	0	41	-1.0	-45.55	335.72	4.83	-40.72
CCC(CC)(NC(=O)C1=CNC2=C(F)C(F)=CC=C2C1=O)C1=NN=N[N-]1	REAL300019801239	1	41	-1.0	-45.58	335.77	4.83	-40.75
CCC(CC)(NC(=O)C1=CN(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300019801240	0	42	-1.0	-36.80	343.30	5.68	-31.12
CCC(CC)(NC(=O)C1=CN(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300019801240	1	42	-1.0	-36.79	343.24	5.66	-31.13
CCC(CC)(NC(=O)C1=CN2CCCCC2=C1)C1=N[N-]N=N1	REAL300019801241	0	43	-1.0	-39.08	327.42	5.67	-33.41
CCC(CC)(NC(=O)C1=CN2CCCCC2=C1)C1=NN=N[N-]1	REAL300019801241	1	43	-1.0	-39.07	327.49	5.68	-33.39
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019801242	0	42	-1.0	-33.11	341.41	6.24	-26.87
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019801242	1	42	-1.0	-33.13	341.47	6.24	-26.89
CCC(CC)(NC(=O)CNS(=O)(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300019801243	0	42	-1.0	-40.69	349.64	-0.96	-41.65
CCC(CC)(NC(=O)CNS(=O)(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300019801243	1	42	-1.0	-40.66	349.57	-0.97	-41.63
CCNC1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CS1	REAL300019801244	0	39	-1.0	-38.13	322.32	2.35	-35.78
CCNC1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CS1	REAL300019801244	1	39	-1.0	-38.10	322.26	2.34	-35.76
CCC(CC)(NC(=O)C1=CN=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019801245	0	38	-1.0	-34.11	309.44	2.29	-31.82
CCC(CC)(NC(=O)C1=CN=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019801245	1	38	-1.0	-34.09	309.38	2.28	-31.81
CCC(CC)(NC(=O)CC1=CC=CC(CC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019801246	0	44	-1.0	-36.27	360.70	7.01	-29.26
CCC(CC)(NC(=O)CC1=CC=CC(CC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019801246	1	44	-1.0	-36.29	360.76	7.01	-29.28
CCC(CC)(NC(=O)CC1=NC(C2CC2)=NN1C)C1=N[N-]N=N1	REAL300019801247	0	44	-1.0	-41.12	349.07	4.56	-36.56
CCC(CC)(NC(=O)CC1=NC(C2CC2)=NN1C)C1=NN=N[N-]1	REAL300019801247	1	44	-1.0	-41.14	349.14	4.58	-36.56
CCC(CC)(NC(=O)C1CCC2=NC=NC=C2C1)C1=N[N-]N=N1	REAL300019801248	0	43	-1.0	-35.52	329.76	4.78	-30.74
CCC(CC)(NC(=O)C1CCC2=NC=NC=C2C1)C1=NN=N[N-]1	REAL300019801248	1	43	-1.0	-35.55	329.83	4.80	-30.75
CCC(CC)(NC(=O)CC1(C)CC1(F)Cl)C1=N[N-]N=N1	REAL300019801249	0	38	-1.0	-33.10	311.11	4.64	-28.46
CCC(CC)(NC(=O)CC1(C)CC1(F)Cl)C1=NN=N[N-]1	REAL300019801249	1	38	-1.0	-33.12	311.17	4.65	-28.47
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019801250	0	49	-1.0	-36.43	382.18	5.54	-30.89
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019801250	1	49	-1.0	-36.44	382.12	5.54	-30.90
CCC(CC)(NC(=O)C1=CC2=CC=CC(Cl)=C2S1)C1=N[N-]N=N1	REAL300019801251	0	38	-1.0	-38.20	331.31	6.36	-31.84
CCC(CC)(NC(=O)C1=CC2=CC=CC(Cl)=C2S1)C1=NN=N[N-]1	REAL300019801251	1	38	-1.0	-38.18	331.37	6.38	-31.80
CCC(CC)(NC(=O)C1CCC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019801252	0	42	-1.0	-34.20	342.70	6.83	-27.37
CCC(CC)(NC(=O)C1CCC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019801252	1	42	-1.0	-34.25	342.77	6.85	-27.40
CCC(CC)(NC(=O)CC1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL300019801253	0	41	-1.0	-41.23	328.28	4.92	-36.31
CCC(CC)(NC(=O)CC1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL300019801253	1	41	-1.0	-41.22	328.22	4.91	-36.31
CCC(CC)(NC(=O)C1=C2CC(C)CCN2N=C1)C1=N[N-]N=N1	REAL300019801254	0	45	-1.0	-37.76	339.93	4.55	-33.21
CCC(CC)(NC(=O)C1=C2CC(C)CCN2N=C1)C1=NN=N[N-]1	REAL300019801254	1	45	-1.0	-37.77	339.99	4.55	-33.22
CCC(CC)(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019801255	0	37	-2.0	-84.54	323.85	5.59	-78.95
CCC(CC)(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019801255	1	37	-2.0	-84.55	323.92	5.61	-78.94
CCC(CC)(NC(=O)CC1=CC=C2OCCCC2=C1)C1=N[N-]N=N1	REAL300019801256	0	46	-1.0	-37.48	353.42	5.86	-31.62
CCC(CC)(NC(=O)CC1=CC=C2OCCCC2=C1)C1=NN=N[N-]1	REAL300019801256	1	46	-1.0	-37.49	353.48	5.87	-31.62
CCC(CC)(NC(=O)CCCC1=CC=C(SC)C=C1)C1=N[N-]N=N1	REAL300019801257	0	48	-1.0	-37.20	383.61	7.73	-29.47
CCC(CC)(NC(=O)CCCC1=CC=C(SC)C=C1)C1=NN=N[N-]1	REAL300019801257	1	48	-1.0	-37.23	383.67	7.74	-29.49
CCC(CC)(NC(=O)CN1N=NN=C1C1=CSC=C1)C1=N[N-]N=N1	REAL300019801258	0	40	-1.0	-38.96	332.69	2.96	-36.00
CCC(CC)(NC(=O)CN1N=NN=C1C1=CSC=C1)C1=NN=N[N-]1	REAL300019801258	1	40	-1.0	-38.98	332.76	2.98	-36.00
CCC(CC)(NC(=O)C1=C(C)N(C2=CC=C(F)C(F)=C2)N=N1)C1=N[N-]N=N1	REAL300019801259	0	44	-1.0	-41.25	361.59	4.86	-36.39
CCC(CC)(NC(=O)C1=C(C)N(C2=CC=C(F)C(F)=C2)N=N1)C1=NN=N[N-]1	REAL300019801259	1	44	-1.0	-41.25	361.66	4.86	-36.39
CCC(CC)(NC(=O)C1=COC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL300019801260	0	38	-1.0	-37.41	310.95	4.85	-32.56
CCC(CC)(NC(=O)C1=COC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL300019801260	1	38	-1.0	-37.41	311.02	4.87	-32.54
CCC(CC)(NC(=O)C1=CC=NN1CC(C)C)C1=NN=N[N-]1	REAL300019801261	0	44	-1.0	-33.99	331.39	4.33	-29.66
CCC(CC)(NC(=O)C1=CC=NN1CC(C)C)C1=N[N-]N=N1	REAL300019801261	1	44	-1.0	-33.98	331.32	4.32	-29.66
CCC(CC)(NC(=O)C1=CC(Cl)=CC2=CC=C(C)N=C21)C1=N[N-]N=N1	REAL300019801262	0	43	-1.0	-42.32	353.22	6.35	-35.97
CCC(CC)(NC(=O)C1=CC(Cl)=CC2=CC=C(C)N=C21)C1=NN=N[N-]1	REAL300019801262	1	43	-1.0	-42.26	353.29	6.36	-35.90
CCOC(=O)C1CCC(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1	REAL300019801263	0	53	-1.0	-37.66	396.84	6.95	-30.71
CCOC(=O)C1CCC(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1	REAL300019801263	1	53	-1.0	-37.63	396.91	6.96	-30.67
CCC(CC)(NC(=O)CCCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801264	0	49	-1.0	-39.90	372.36	5.74	-34.16
CCC(CC)(NC(=O)CCCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801264	1	49	-1.0	-39.83	372.42	5.75	-34.08
CCC(CC)(NC(=O)CN1C=CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300019801265	0	42	-1.0	-38.51	340.07	6.65	-31.86
CCC(CC)(NC(=O)CN1C=CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300019801265	1	42	-1.0	-38.49	340.13	6.67	-31.82
CCC(CC)(NC(=O)C1=NN2CCOCC2=C1)C1=N[N-]N=N1	REAL300019801266	0	40	-1.0	-40.93	314.21	1.46	-39.47
CCC(CC)(NC(=O)C1=NN2CCOCC2=C1)C1=NN=N[N-]1	REAL300019801266	1	40	-1.0	-40.93	314.28	1.47	-39.46
CCC(CC)(NC(=O)CC(C)CCC=C(C)C)C1=N[N-]N=N1	REAL300019801267	0	50	-1.0	-34.27	370.65	6.92	-27.35
CCC(CC)(NC(=O)CC(C)CCC=C(C)C)C1=NN=N[N-]1	REAL300019801267	1	50	-1.0	-34.25	370.71	6.94	-27.31
CCC(CC)(NC(=O)C1=CC=C2OC(C)(C)CC2=C1)C1=N[N-]N=N1	REAL300019801268	0	46	-1.0	-36.20	353.26	5.69	-30.51
CCC(CC)(NC(=O)C1=CC=C2OC(C)(C)CC2=C1)C1=NN=N[N-]1	REAL300019801268	1	46	-1.0	-36.21	353.32	5.70	-30.51
CCC(CC)(NC(=O)COCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801269	0	47	-1.0	-42.70	364.48	4.78	-37.92
CCC(CC)(NC(=O)COCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801269	1	47	-1.0	-42.70	364.55	4.79	-37.91
CCC(CC)(NC(=O)C1=CC=C(C2=CC=C(C)N=N2)C=C1)C1=N[N-]N=N1	REAL300019801270	0	46	-1.0	-40.38	364.14	5.79	-34.59
CCC(CC)(NC(=O)C1=CC=C(C2=CC=C(C)N=N2)C=C1)C1=NN=N[N-]1	REAL300019801270	1	46	-1.0	-40.40	364.21	5.81	-34.59
CCC(CC)(NC(=O)C1=CC=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL300019801271	0	40	-1.0	-38.64	312.49	4.91	-33.73
CCC(CC)(NC(=O)C1=CC=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL300019801271	1	40	-1.0	-38.58	312.42	4.90	-33.68
CCC(CC)(NC(=O)C1=CC2=C(Br)C=NC=C2S1)C1=NN=N[N-]1	REAL300019801272	0	37	-1.0	-33.71	330.26	4.65	-29.06
CCC(CC)(NC(=O)C1=CC2=C(Br)C=NC=C2S1)C1=N[N-]N=N1	REAL300019801272	1	37	-1.0	-33.68	330.19	4.64	-29.04
CCCC1=CC=C(CCCC(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019801273	0	53	-1.0	-35.92	407.78	8.93	-26.99
CCCC1=CC=C(CCCC(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019801273	1	53	-1.0	-35.90	407.85	8.94	-26.96
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019801274	0	44	-1.0	-37.82	347.68	6.32	-31.50
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019801274	1	44	-1.0	-37.80	347.61	6.31	-31.49
CCC(CC)(NC(=O)C1=CC=C(N2CCOCC2)C(C)=C1)C1=N[N-]N=N1	REAL300019801275	0	51	-1.0	-35.54	383.37	4.65	-30.89
CCC(CC)(NC(=O)C1=CC=C(N2CCOCC2)C(C)=C1)C1=NN=N[N-]1	REAL300019801275	1	51	-1.0	-35.59	383.44	4.66	-30.93
CCC(CC)(NC(=O)C1=CN(C2CCC2)N=N1)C1=NN=N[N-]1	REAL300019801276	0	41	-1.0	-40.14	321.68	2.86	-37.28
CCC(CC)(NC(=O)C1=CN(C2CCC2)N=N1)C1=N[N-]N=N1	REAL300019801276	1	41	-1.0	-40.13	321.62	2.86	-37.27
CCC(CC)(NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801277	0	52	-1.0	-37.27	392.42	3.29	-33.98
CCC(CC)(NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801277	1	52	-1.0	-37.26	392.49	3.29	-33.97
CCC(CC)(NC(=O)C1=CC=CC2=CC(O)=CC=C21)C1=NN=N[N-]1	REAL300019801278	0	42	-1.0	-37.73	327.61	3.98	-33.75
CCC(CC)(NC(=O)C1=CC=CC2=CC(O)=CC=C21)C1=N[N-]N=N1	REAL300019801278	1	42	-1.0	-37.76	327.55	3.98	-33.78
CCC(CC)(NC(=O)C1=C(O)C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019801279	0	41	-1.0	-41.25	324.73	3.41	-37.84
CCC(CC)(NC(=O)C1=C(O)C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019801279	1	41	-1.0	-41.23	324.66	3.42	-37.81
CCC(CC)(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019801279	1	40	-2.0	-102.01	321.17	4.41	-97.60
CCC(CC)(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019801279	1	40	-2.0	-101.98	321.10	4.42	-97.56
CCC(CC)(NC(=O)C1=CC=C(C2=CNC=N2)C=C1)C1=N[N-]N=N1	REAL300019801280	0	42	-1.0	-41.45	333.98	5.65	-35.80
CCC(CC)(NC(=O)C1=CC=C(C2=CNC=N2)C=C1)C1=NN=N[N-]1	REAL300019801280	1	42	-1.0	-41.41	334.05	5.67	-35.74
CCC(CC)(NC(=O)CC1=CC=CC(F)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019801281	0	40	-1.0	-43.97	335.85	5.99	-37.98
CCC(CC)(NC(=O)CC1=CC=CC(F)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019801281	1	40	-1.0	-43.99	335.92	6.00	-37.99
CCC(CC)(NC(=O)C1COC2=CC=C(O)C=C2O1)C1=N[N-]N=N1	REAL300019801282	0	42	-1.0	-37.39	334.71	1.53	-35.86
CCC(CC)(NC(=O)C1COC2=CC=C(O)C=C2O1)C1=NN=N[N-]1	REAL300019801282	1	42	-1.0	-37.40	334.77	1.54	-35.86
CCC(CC)(NC(=O)C1=C(Cl)SC(Br)=N1)C1=NN=N[N-]1	REAL300019801283	0	31	-1.0	-35.37	298.04	2.82	-32.55
CCC(CC)(NC(=O)C1=C(Cl)SC(Br)=N1)C1=N[N-]N=N1	REAL300019801283	1	31	-1.0	-35.35	297.97	2.82	-32.53
CCC(CC)(NC(=O)CC1=CC=C(Br)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019801284	0	40	-1.0	-39.17	344.11	6.37	-32.80
CCC(CC)(NC(=O)CC1=CC=C(Br)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019801284	1	40	-1.0	-39.17	344.17	6.37	-32.80
CCC(CC)(NC(=O)COCC1=C(C(=O)OC)N=CO1)C1=NN=N[N-]1	REAL300019801285	0	44	-1.0	-44.19	363.58	0.68	-43.51
CCC(CC)(NC(=O)COCC1=C(C(=O)OC)N=CO1)C1=N[N-]N=N1	REAL300019801285	1	44	-1.0	-44.21	363.52	0.66	-43.55
CCC(CC)(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=NN=N[N-]1	REAL300019801286	0	47	0.0	-54.01	351.66	3.36	-50.65
CCC(CC)(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=N[N-]N=N1	REAL300019801286	1	47	0.0	-53.98	351.59	3.35	-50.63
CCC(CC)(NC(=O)CC1=NC(C2=CC=CO2)=C(C)S1)C1=NN=N[N-]1	REAL300019801287	0	44	-1.0	-40.51	367.12	4.70	-35.81
CCC(CC)(NC(=O)CC1=NC(C2=CC=CO2)=C(C)S1)C1=N[N-]N=N1	REAL300019801287	1	44	-1.0	-40.51	367.06	4.68	-35.83
CCC(CC)(NC(=O)CN1CC2=CC=CC=C2OC1=O)C1=N[N-]N=N1	REAL300019801288	0	44	-1.0	-44.85	349.98	5.23	-39.62
CCC(CC)(NC(=O)CN1CC2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL300019801288	1	44	-1.0	-44.85	350.04	5.24	-39.61
CCC(CC)(NC(=O)C1=CC(C)=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019801289	0	45	-1.0	-37.01	367.11	7.76	-29.25
CCC(CC)(NC(=O)C1=CC(C)=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019801289	1	45	-1.0	-37.04	367.17	7.77	-29.27
CCC(CC)(NC(=O)C1=CN(C(C)C)N=C1C)C1=N[N-]N=N1	REAL300019801290	0	44	-1.0	-36.22	339.17	4.17	-32.05
CCC(CC)(NC(=O)C1=CN(C(C)C)N=C1C)C1=NN=N[N-]1	REAL300019801290	1	44	-1.0	-36.24	339.23	4.19	-32.05
CCC(CC)(NC(=O)CCC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019801291	0	41	-1.0	-36.05	350.00	6.76	-29.29
CCC(CC)(NC(=O)CCC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019801291	1	41	-1.0	-36.10	350.06	6.78	-29.32
CCC(CC)(NC(=O)C1=CC=C(C(F)F)N=C1)C1=N[N-]N=N1	REAL300019801292	0	37	-1.0	-36.40	303.99	3.56	-32.84
CCC(CC)(NC(=O)C1=CC=C(C(F)F)N=C1)C1=NN=N[N-]1	REAL300019801292	1	37	-1.0	-36.41	304.05	3.57	-32.84
CCC(CC)(NC(=O)C1=C2OCCOC2=CS1)C1=N[N-]N=N1	REAL300019801293	0	38	-1.0	-39.13	309.95	2.92	-36.21
CCC(CC)(NC(=O)C1=C2OCCOC2=CS1)C1=NN=N[N-]1	REAL300019801293	1	38	-1.0	-39.10	310.02	2.93	-36.17
CCC1=C(C2=CC=CC=C2)SC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019801294	0	48	-1.0	-36.78	387.48	8.48	-28.30
CCC1=C(C2=CC=CC=C2)SC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019801294	1	48	-1.0	-36.80	387.54	8.49	-28.31
CCC(CC)(NC(=O)CCCC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019801295	0	44	-1.0	-37.77	354.03	6.76	-31.01
CCC(CC)(NC(=O)CCCC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019801295	1	44	-1.0	-37.73	354.09	6.77	-30.96
CCC(CC)(NC(=O)CC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801296	0	58	-1.0	-43.06	423.22	6.04	-37.02
CCC(CC)(NC(=O)CC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801296	1	58	-1.0	-43.00	423.29	6.05	-36.95
CCC(CC)(NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300019801297	0	55	-1.0	-38.13	410.56	5.79	-32.34
CCC(CC)(NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300019801297	1	55	-1.0	-38.12	410.62	5.80	-32.32
CCC(CC)(NC(=O)C1CCCC1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801298	0	58	-1.0	-39.16	431.24	4.37	-34.79
CCC(CC)(NC(=O)C1CCCC1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801298	1	58	-1.0	-39.24	431.30	4.38	-34.86
CCC(CC)(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801299	0	51	-1.0	-37.00	380.03	4.49	-32.51
CCC(CC)(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801299	1	51	-1.0	-37.02	380.10	4.51	-32.51
CCC(CC)(NC(=O)C(C)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300019801300	0	45	-1.0	-36.69	358.09	6.78	-29.91
CCC(CC)(NC(=O)C(C)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300019801300	1	45	-1.0	-36.67	358.16	6.79	-29.88
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL300019801301	0	43	-1.0	-42.19	339.55	6.09	-36.10
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL300019801301	1	43	-1.0	-42.15	339.60	6.08	-36.07
CCC(CC)(NC(=O)C1CC12CCCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019801302	0	59	-1.0	-36.95	432.41	6.69	-30.26
CCC(CC)(NC(=O)C1CC12CCCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019801302	1	59	-1.0	-36.98	432.48	6.70	-30.28
CCC(CC)(NC(=O)C(CCCCC#N)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801303	0	58	-1.0	-45.95	442.78	5.40	-40.55
CCC(CC)(NC(=O)C(CCCCC#N)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801303	1	58	-1.0	-45.94	442.85	5.41	-40.53
CCC(CC)(NC(=O)CCCCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801304	0	52	-1.0	-37.31	393.86	6.52	-30.79
CCC(CC)(NC(=O)CCCCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801304	1	52	-1.0	-37.28	393.92	6.53	-30.75
CCC(CC)(NC(=O)[C@H](C)NC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL300019801305	0	42	-1.0	-37.52	338.63	1.78	-35.74
CCC(CC)(NC(=O)[C@H](C)NC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL300019801305	1	42	-1.0	-37.55	338.69	1.79	-35.76
CCC(CC)(NC(=O)C1=NN(CCF)C(=O)C=C1)C1=N[N-]N=N1	REAL300019801306	0	40	-1.0	-35.48	326.75	2.59	-32.89
CCC(CC)(NC(=O)C1=NN(CCF)C(=O)C=C1)C1=NN=N[N-]1	REAL300019801306	1	40	-1.0	-35.47	326.82	2.61	-32.86
CCC(CC)(NC(=O)C1=CC(Cl)=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300019801307	0	41	-1.0	-33.53	337.70	5.13	-28.40
CCC(CC)(NC(=O)C1=CC(Cl)=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300019801307	1	41	-1.0	-33.57	337.77	5.14	-28.43
CCC(CC)(NC(=O)C1=CC=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019801308	0	47	-1.0	-35.74	352.01	6.76	-28.98
CCC(CC)(NC(=O)C1=CC=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019801308	1	47	-1.0	-35.80	352.08	6.78	-29.02
CCC(CC)(NC(=O)C1=CC=C2OCCOC2=N1)C1=NN=N[N-]1	REAL300019801309	0	40	-1.0	-42.11	317.62	0.68	-41.43
CCC(CC)(NC(=O)C1=CC=C2OCCOC2=N1)C1=N[N-]N=N1	REAL300019801309	1	40	-1.0	-42.09	317.55	0.67	-41.42
CCC(CC)(NC(=O)CCCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019801310	0	44	-1.0	-36.62	349.80	6.77	-29.85
CCC(CC)(NC(=O)CCCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019801310	1	44	-1.0	-36.65	349.87	6.79	-29.86
CCC(CC)(NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019801311	0	49	-1.0	-42.15	375.22	1.83	-40.32
CCC(CC)(NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019801311	1	49	-1.0	-42.10	375.28	1.84	-40.26
CCC(CC)(NC(=O)CN1N=C(C)N(C)C1=O)C1=N[N-]N=N1	REAL300019801312	0	41	-1.0	-45.80	330.11	3.41	-42.39
CCC(CC)(NC(=O)CN1N=C(C)N(C)C1=O)C1=NN=N[N-]1	REAL300019801312	1	41	-1.0	-45.83	330.17	3.43	-42.40
CCC(CC)(NC(=O)CC1OCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019801313	0	43	-1.0	-37.47	334.17	5.13	-32.34
CCC(CC)(NC(=O)CC1OCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019801313	1	43	-1.0	-37.47	334.24	5.13	-32.34
CCC(CC)(NC(=O)C1CCCC2=CC=C(OC)C=C21)C1=N[N-]N=N1	REAL300019801314	0	49	-1.0	-39.68	368.32	5.87	-33.81
CCC(CC)(NC(=O)C1CCCC2=CC=C(OC)C=C21)C1=NN=N[N-]1	REAL300019801314	1	49	-1.0	-39.68	368.38	5.89	-33.79
CCC(CC)(NC(=O)C1=C2C=CC(OC)=CN2N=C1)C1=NN=N[N-]1	REAL300019801315	0	42	-1.0	-39.22	332.78	3.45	-35.77
CCC(CC)(NC(=O)C1=C2C=CC(OC)=CN2N=C1)C1=N[N-]N=N1	REAL300019801315	1	42	-1.0	-39.17	332.71	3.44	-35.73
CCC(CC)(NC(=O)CCC1CCCCCC1)C1=N[N-]N=N1	REAL300019801316	0	50	-1.0	-34.09	353.84	6.50	-27.59
CCC(CC)(NC(=O)CCC1CCCCCC1)C1=NN=N[N-]1	REAL300019801316	1	50	-1.0	-34.06	353.91	6.51	-27.55
CCC(CC)(NC(=O)C1=CC=CC2=C1OC(C)(C)C2)C1=N[N-]N=N1	REAL300019801317	0	46	-1.0	-41.07	351.45	6.57	-34.50
CCC(CC)(NC(=O)C1=CC=CC2=C1OC(C)(C)C2)C1=NN=N[N-]1	REAL300019801317	1	46	-1.0	-41.07	351.52	6.57	-34.50
CCC(CC)(NC(=O)C1CCCS1(=O)=O)C1=N[N-]N=N1	REAL300019801318	0	38	-1.0	-44.79	302.97	0.10	-44.69
CCC(CC)(NC(=O)C1CCCS1(=O)=O)C1=NN=N[N-]1	REAL300019801318	1	38	-1.0	-44.81	303.04	0.11	-44.70
CCC(CC)(NC(=O)C=CC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300019801319	0	42	-1.0	-36.25	349.97	4.73	-31.52
CCC(CC)(NC(=O)C=CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300019801319	1	42	-1.0	-36.27	350.03	4.74	-31.53
CCC(CC)(NC(=O)C1=CN=C(C2CC2)N=C1N)C1=N[N-]N=N1	REAL300019801320	0	42	-1.0	-34.37	328.15	3.25	-31.12
CCC(CC)(NC(=O)C1=CN=C(C2CC2)N=C1N)C1=NN=N[N-]1	REAL300019801320	1	42	-1.0	-34.40	328.21	3.26	-31.14
CCC(CC)(NC(=O)C1=CNC=C2N=C(C(F)(F)F)N=C21)C1=N[N-]N=N1	REAL300019801321	0	40	-1.0	-64.81	337.23	3.07	-61.74
CCC(CC)(NC(=O)C1=CNC=C2N=C(C(F)(F)F)N=C21)C1=NN=N[N-]1	REAL300019801321	1	40	-1.0	-64.80	337.29	3.09	-61.71
CCC(CC)(NC(=O)C1CCN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019801322	0	47	-1.0	-35.92	350.28	4.78	-31.14
CCC(CC)(NC(=O)C1CCN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019801322	1	47	-1.0	-35.90	350.34	4.78	-31.12
CCC(CC)(NC(=O)C1=CN=C(N(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300019801323	0	42	-1.0	-33.07	343.12	3.79	-29.28
CCC(CC)(NC(=O)C1=CN=C(N(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300019801323	1	42	-1.0	-33.10	343.06	3.79	-29.31
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC=C1OC(C)C)C1=N[N-]N=N1	REAL300019801324	0	48	-1.0	-38.39	377.11	6.16	-32.23
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC=C1OC(C)C)C1=NN=N[N-]1	REAL300019801324	1	48	-1.0	-38.40	377.18	6.17	-32.23
CCC(CC)(NC(=O)CC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL300019801325	0	37	-1.0	-38.96	309.50	3.69	-35.27
CCC(CC)(NC(=O)CC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL300019801325	1	37	-1.0	-38.98	309.43	3.67	-35.31
CCC(CC)(NC(=O)C1=CC=CC2=C1NC(=O)CO2)C1=N[N-]N=N1	REAL300019801326	0	41	-1.0	-38.83	320.89	2.18	-36.65
CCC(CC)(NC(=O)C1=CC=CC2=C1NC(=O)CO2)C1=NN=N[N-]1	REAL300019801326	1	41	-1.0	-38.82	320.95	2.18	-36.64
CCC(CC)(NC(=O)C1CC(C(C)=NO)C1(C)C)C1=N[N-]N=N1	REAL300019801327	0	48	-1.0	-38.39	358.79	2.79	-35.60
CCC(CC)(NC(=O)C1CC(C(C)=NO)C1(C)C)C1=NN=N[N-]1	REAL300019801327	1	48	-1.0	-38.42	358.86	2.80	-35.62
CCC(CC)(NC(=O)COC1=NSN=C1N1CCOCC1)C1=NN=N[N-]1	REAL300019801328	0	47	-1.0	-34.78	377.32	-0.12	-34.90
CCC(CC)(NC(=O)COC1=NSN=C1N1CCOCC1)C1=N[N-]N=N1	REAL300019801328	1	47	-1.0	-34.76	377.26	-0.13	-34.89
CCC(CC)(NC(=O)C1=CC2=NC=C(C)N2C=C1)C1=N[N-]N=N1	REAL300019801329	0	41	-1.0	-38.47	324.20	5.54	-32.93
CCC(CC)(NC(=O)C1=CC2=NC=C(C)N2C=C1)C1=NN=N[N-]1	REAL300019801329	1	41	-1.0	-38.45	324.26	5.55	-32.90
CCC(CC)(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019801330	0	57	-1.0	-39.73	434.25	6.75	-32.98
CCC(CC)(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019801330	1	57	-1.0	-39.72	434.31	6.77	-32.95
CCC(CC)(NC(=O)C1CC(C)CC2=CNN=C21)C1=N[N-]N=N1	REAL300019801331	0	45	-1.0	-39.44	336.75	3.83	-35.61
CCC(CC)(NC(=O)C1CC(C)CC2=CNN=C21)C1=NN=N[N-]1	REAL300019801331	1	45	-1.0	-39.41	336.82	3.84	-35.57
CCC(CC)(NC(=O)CC(N1C=CN=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300019801332	0	41	-1.0	-36.99	334.87	5.41	-31.58
CCC(CC)(NC(=O)CC(N1C=CN=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300019801332	1	41	-1.0	-37.02	334.94	5.43	-31.59
CCC(CC)(NC(=O)C1=CC(N2C=CN=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019801333	0	43	-1.0	-41.44	339.79	5.32	-36.12
CCC(CC)(NC(=O)C1=CC(N2C=CN=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019801333	1	43	-1.0	-41.41	339.86	5.33	-36.08
CCC(CC)(NC(=O)C1=CSC(Br)=N1)C1=NN=N[N-]1	REAL300019801334	0	31	-1.0	-37.83	284.89	2.05	-35.78
CCC(CC)(NC(=O)C1=CSC(Br)=N1)C1=N[N-]N=N1	REAL300019801334	1	31	-1.0	-37.78	284.83	2.03	-35.75
CCC(CC)(NC(=O)C(CC(C)C)N1C=CN=C1)C1=N[N-]N=N1	REAL300019801335	0	47	-1.0	-35.70	357.56	6.50	-29.20
CCC(CC)(NC(=O)C(CC(C)C)N1C=CN=C1)C1=NN=N[N-]1	REAL300019801335	1	47	-1.0	-35.73	357.62	6.51	-29.22
CCC(CC)(NC(=O)C1=CC(C2CCCN2C)=NN1)C1=N[N-]N=N1	REAL300019801336	0	47	-1.0	-34.82	361.03	1.54	-33.28
CCC(CC)(NC(=O)C1=CC(C2CCCN2C)=NN1)C1=NN=N[N-]1	REAL300019801336	1	47	-1.0	-34.83	361.10	1.55	-33.28
CCC(CC)(NC(=O)C=C1SCC(=O)N1C)C1=N[N-]N=N1	REAL300019801337	0	38	-1.0	-37.04	309.05	2.90	-34.14
CCC(CC)(NC(=O)C=C1SCC(=O)N1C)C1=NN=N[N-]1	REAL300019801337	1	38	-1.0	-37.06	309.12	2.91	-34.15
CCC(CC)(NC(=O)CCC(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019801338	0	45	-1.0	-41.81	372.44	4.42	-37.39
CCC(CC)(NC(=O)CCC(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019801338	1	45	-1.0	-41.80	372.51	4.43	-37.37
CCC(CC)(NC(=O)C1=CN=C2C=CC=C(C)N12)C1=NN=N[N-]1	REAL300019801339	0	41	-1.0	-39.68	313.35	5.47	-34.21
CCC(CC)(NC(=O)C1=CN=C2C=CC=C(C)N12)C1=N[N-]N=N1	REAL300019801339	1	41	-1.0	-39.74	313.28	5.46	-34.28
CCC(CC)(NC(=O)C(C)=CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019801340	0	41	-1.0	-35.73	317.91	4.44	-31.29
CCC(CC)(NC(=O)C(C)=CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019801340	1	41	-1.0	-35.73	317.97	4.45	-31.28
CCC(CC)(NC(=O)C(C)=CC1=CC=CC=N1)C1=N[N-]N=N1	REAL300019801341	0	41	-1.0	-37.62	319.42	5.51	-32.11
CCC(CC)(NC(=O)C(C)=CC1=CC=CC=N1)C1=NN=N[N-]1	REAL300019801341	1	41	-1.0	-37.61	319.49	5.52	-32.09
CCC(CC)(NC(=O)C(C)=CC1=CC=CN=C1)C1=N[N-]N=N1	REAL300019801342	0	41	-1.0	-36.23	317.84	4.47	-31.76
CCC(CC)(NC(=O)C(C)=CC1=CC=CN=C1)C1=NN=N[N-]1	REAL300019801342	1	41	-1.0	-36.23	317.91	4.48	-31.75
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL300019801343	0	44	-1.0	-40.30	339.02	4.32	-35.98
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL300019801343	1	44	-1.0	-40.28	339.08	4.34	-35.94
CCC(CC)(NC(=O)CC(C)N1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019801344	0	50	-1.0	-37.98	367.08	5.61	-32.37
CCC(CC)(NC(=O)CC(C)N1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019801344	1	50	-1.0	-37.99	367.15	5.61	-32.38
CCN1C(=O)NC2=CC=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)C=C21	REAL300019801345	0	45	-1.0	-37.47	354.83	4.38	-33.09
CCN1C(=O)NC2=CC=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)C=C21	REAL300019801345	1	45	-1.0	-37.47	354.89	4.38	-33.09
CCC(CC)(NC(=O)C1=CC=C(Br)C=C1SC)C1=N[N-]N=N1	REAL300019801346	0	39	-1.0	-34.60	332.85	6.06	-28.54
CCC(CC)(NC(=O)C1=CC=C(Br)C=C1SC)C1=NN=N[N-]1	REAL300019801346	1	39	-1.0	-34.60	332.91	6.07	-28.53
CCC(CC)(NC(=O)C1=CC(C)=NC(NC2CC2)=C1)C1=N[N-]N=N1	REAL300019801347	0	46	-1.0	-34.91	358.70	4.60	-30.31
CCC(CC)(NC(=O)C1=CC(C)=NC(NC2CC2)=C1)C1=NN=N[N-]1	REAL300019801347	1	46	-1.0	-34.93	358.77	4.62	-30.31
CCC(CC)(NC(=O)C(OC)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019801348	0	42	-1.0	-37.30	343.63	5.79	-31.51
CCC(CC)(NC(=O)C(OC)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019801348	1	42	-1.0	-37.33	343.69	5.81	-31.52
CCC(CC)(NC(=O)C1=CN=C(C2=CC=C(C)C(C)=C2)S1)C1=NN=N[N-]1	REAL300019801349	0	47	-1.0	-36.13	381.08	6.56	-29.57
CCC(CC)(NC(=O)C1=CN=C(C2=CC=C(C)C(C)=C2)S1)C1=N[N-]N=N1	REAL300019801349	1	47	-1.0	-36.16	381.01	6.55	-29.61
CCC(CC)(NC(=O)CCC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300019801350	0	44	-1.0	-36.92	361.50	5.03	-31.89
CCC(CC)(NC(=O)CCC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300019801350	1	44	-1.0	-36.93	361.57	5.04	-31.89
CCC(CC)(NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300019801351	0	44	-1.0	-41.52	354.73	4.68	-36.84
CCC(CC)(NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300019801351	1	44	-1.0	-41.51	354.79	4.70	-36.81
CCC(CC)(NC(=O)C1CCC2(CC2(F)F)CC1)C1=N[N-]N=N1	REAL300019801352	0	45	-1.0	-34.72	344.99	6.15	-28.57
CCC(CC)(NC(=O)C1CCC2(CC2(F)F)CC1)C1=NN=N[N-]1	REAL300019801352	1	45	-1.0	-34.67	345.06	6.16	-28.51
CCC(CC)(NC(=O)C1=CC=C(C(F)F)C=C1F)C1=N[N-]N=N1	REAL300019801353	0	38	-1.0	-38.24	313.75	5.55	-32.69
CCC(CC)(NC(=O)C1=CC=C(C(F)F)C=C1F)C1=NN=N[N-]1	REAL300019801353	1	38	-1.0	-38.24	313.82	5.55	-32.69
CCC(CC)(NC(=O)CC1OCC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019801354	0	43	-1.0	-36.29	350.91	5.65	-30.64
CCC(CC)(NC(=O)CC1OCC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019801354	1	43	-1.0	-36.30	350.97	5.65	-30.65
CCC(CC)(NC(=O)C1=CC=C(OCC(F)(F)F)O1)C1=N[N-]N=N1	REAL300019801355	0	39	-1.0	-34.15	333.68	4.40	-29.75
CCC(CC)(NC(=O)C1=CC=C(OCC(F)(F)F)O1)C1=NN=N[N-]1	REAL300019801355	1	39	-1.0	-34.13	333.75	4.40	-29.73
CCC(CC)(NC(=O)C1=CC(F)=C(Cl)C(N)=C1Cl)C1=N[N-]N=N1	REAL300019801356	0	37	-1.0	-33.18	321.26	3.53	-29.65
CCC(CC)(NC(=O)C1=CC(F)=C(Cl)C(N)=C1Cl)C1=NN=N[N-]1	REAL300019801356	1	37	-1.0	-33.19	321.33	3.54	-29.65
CCC(CC)(NC(=O)CNC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019801357	0	46	-1.0	-41.78	374.05	0.93	-40.85
CCC(CC)(NC(=O)CNC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019801357	1	46	-1.0	-41.79	374.12	0.94	-40.85
CCC(CC)(NC(=O)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)C1=N[N-]N=N1	REAL300019801358	0	37	-1.0	-31.25	339.98	6.34	-24.91
CCC(CC)(NC(=O)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)C1=NN=N[N-]1	REAL300019801358	1	37	-1.0	-31.22	340.04	6.35	-24.87
CCC(CC)(NC(=O)C1=CSC(N2CCCCC2)=N1)C1=NN=N[N-]1	REAL300019801359	0	46	-1.0	-38.66	361.12	3.94	-34.72
CCC(CC)(NC(=O)C1=CSC(N2CCCCC2)=N1)C1=N[N-]N=N1	REAL300019801359	1	46	-1.0	-38.68	361.06	3.93	-34.75
CCC(CC)(NC(=O)C1=NOC(C2=CC=CC(O)=C2)=C1)C1=N[N-]N=N1	REAL300019801360	0	42	-1.0	-39.13	344.72	2.72	-36.41
CCC(CC)(NC(=O)C1=NOC(C2=CC=CC(O)=C2)=C1)C1=NN=N[N-]1	REAL300019801360	1	42	-1.0	-39.11	344.78	2.72	-36.39
CCC(CC)(NC(=O)C1=CC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL300019801361	0	40	-1.0	-36.16	316.80	4.92	-31.24
CCC(CC)(NC(=O)C1=CC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL300019801361	1	40	-1.0	-36.18	316.87	4.93	-31.25
CCC(CC)(NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019801362	0	53	-1.0	-38.51	394.88	5.38	-33.13
CCC(CC)(NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019801362	1	53	-1.0	-38.49	394.95	5.40	-33.09
CCC(CC)(NC(=O)C(CC(N)=O)NC(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300019801363	0	49	-1.0	-42.93	389.57	1.57	-41.36
CCC(CC)(NC(=O)C(CC(N)=O)NC(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300019801363	1	49	-1.0	-42.91	389.64	1.58	-41.33
CCC(CC)(NC(=O)CNC1=CC=C(S(N)(=O)=O)C=C1F)C1=N[N-]N=N1	REAL300019801364	0	45	-1.0	-41.57	373.07	-1.55	-43.12
CCC(CC)(NC(=O)CNC1=CC=C(S(N)(=O)=O)C=C1F)C1=NN=N[N-]1	REAL300019801364	1	45	-1.0	-41.61	373.14	-1.54	-43.15
CCC(CC)(NC(=O)C1=CC=NC2=C1NC(=O)N2)C1=NN=N[N-]1	REAL300019801365	0	38	-1.0	-36.18	304.73	0.67	-35.51
CCC(CC)(NC(=O)C1=CC=NC2=C1NC(=O)N2)C1=N[N-]N=N1	REAL300019801365	1	38	-1.0	-36.17	304.67	0.66	-35.51
CCC(CC)(NC(=O)C1=C2N=CNC2=CN=C1)C1=NN=N[N-]1	REAL300019801366	0	37	-1.0	-45.85	296.15	2.45	-43.40
CCC(CC)(NC(=O)C1=C2N=CNC2=CN=C1)C1=N[N-]N=N1	REAL300019801366	1	37	-1.0	-45.88	296.08	2.43	-43.45
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=N[N-]N=N1	REAL300019801367	0	54	0.0	-59.63	413.58	5.55	-54.08
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=NN=N[N-]1	REAL300019801367	1	54	0.0	-59.66	413.65	5.56	-54.10
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300019801368	0	43	-1.0	-37.54	345.11	4.81	-32.73
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300019801368	1	43	-1.0	-37.54	345.17	4.83	-32.71
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL300019801369	0	44	-1.0	-38.41	364.28	6.22	-32.19
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL300019801369	1	44	-1.0	-38.43	364.22	6.21	-32.22
CCC(CC)(NC(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=NN=N[N-]1	REAL300019801370	0	40	-1.0	-39.42	328.64	6.37	-33.05
CCC(CC)(NC(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=N[N-]N=N1	REAL300019801370	1	40	-1.0	-39.46	328.57	6.35	-33.11
CCC(CC)(NC(=O)C1=C2N=CSC2=CC=C1)C1=NN=N[N-]1	REAL300019801371	0	37	-1.0	-41.27	305.96	4.08	-37.19
CCC(CC)(NC(=O)C1=C2N=CSC2=CC=C1)C1=N[N-]N=N1	REAL300019801371	1	37	-1.0	-41.31	305.89	4.07	-37.24
CCC(CC)(NC(=O)C1=COC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019801372	0	38	-1.0	-43.41	322.51	0.02	-43.39
CCC(CC)(NC(=O)C1=COC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019801372	1	38	-1.0	-43.46	322.58	0.03	-43.43
CCC(CC)(NC(=O)C1=COC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL300019801373	0	38	-1.0	-36.70	321.27	5.31	-31.39
CCC(CC)(NC(=O)C1=COC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL300019801373	1	38	-1.0	-36.69	321.33	5.32	-31.37
CCC(CC)(NC(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019801374	0	42	-1.0	-41.45	334.97	6.83	-34.62
CCC(CC)(NC(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019801374	1	42	-1.0	-41.43	334.90	6.83	-34.60
CCC(CC)(NC(=O)C1=CC=NC(NC2CCC2)=C1)C1=N[N-]N=N1	REAL300019801375	0	46	-1.0	-34.78	352.92	4.64	-30.14
CCC(CC)(NC(=O)C1=CC=NC(NC2CCC2)=C1)C1=NN=N[N-]1	REAL300019801375	1	46	-1.0	-34.76	352.99	4.65	-30.11
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019801376	0	49	-1.0	-35.61	381.53	5.34	-30.27
CCC(CC)(NC(=O)C1=CC=C(C(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019801376	1	49	-1.0	-35.59	381.46	5.33	-30.26
CCC(CC)(NC(=O)[C@H]1C[C@@H](NC(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019801377	0	53	-1.0	-38.30	419.30	5.25	-33.05
CCC(CC)(NC(=O)[C@H]1C[C@@H](NC(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019801377	1	53	-1.0	-38.30	419.34	5.26	-33.04
CCC(CC)(NC(=O)C1CCS(=O)(=O)N1)C1=N[N-]N=N1	REAL300019801378	0	37	-1.0	-44.57	298.47	-2.15	-46.72
CCC(CC)(NC(=O)C1CCS(=O)(=O)N1)C1=NN=N[N-]1	REAL300019801378	1	37	-1.0	-44.58	298.53	-2.14	-46.72
CCC(CC)(NC(=O)C1CCC(C(C)(C)O)CC1)C1=N[N-]N=N1	REAL300019801379	0	51	-1.0	-35.19	363.66	2.99	-32.20
CCC(CC)(NC(=O)C1CCC(C(C)(C)O)CC1)C1=NN=N[N-]1	REAL300019801379	1	51	-1.0	-35.18	363.72	3.01	-32.17
CCC(CC)(NC(=O)C=CC1CCCCCC1)C1=N[N-]N=N1	REAL300019801380	0	48	-1.0	-34.41	349.50	6.45	-27.96
CCC(CC)(NC(=O)C=CC1CCCCCC1)C1=NN=N[N-]1	REAL300019801380	1	48	-1.0	-34.43	349.56	6.47	-27.96
CCC(CC)(NC(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019801381	0	40	-1.0	-40.71	327.02	5.49	-35.22
CCC(CC)(NC(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019801381	1	40	-1.0	-40.69	327.08	5.51	-35.18
CCC(CC)(NC(=O)C1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300019801382	0	45	-1.0	-34.91	340.00	6.79	-28.12
CCC(CC)(NC(=O)C1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019801382	1	45	-1.0	-34.90	340.06	6.80	-28.10
CCC(CC)(NC(=O)COCC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019801383	0	48	-1.0	-36.53	373.29	6.67	-29.86
CCC(CC)(NC(=O)COCC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801383	1	48	-1.0	-36.53	373.35	6.68	-29.85
CCC(CC)(NC(=O)COCCC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019801384	0	45	-1.0	-37.32	362.88	6.21	-31.11
CCC(CC)(NC(=O)COCCC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019801384	1	45	-1.0	-37.30	362.95	6.22	-31.08
CCC(CC)(NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801385	0	58	-1.0	-36.70	428.98	4.69	-32.01
CCC(CC)(NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801385	1	58	-1.0	-36.68	429.04	4.69	-31.99
CCC(CC)(NC(=O)C1CCOC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL300019801386	0	43	-1.0	-36.40	351.24	5.35	-31.05
CCC(CC)(NC(=O)C1CCOC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL300019801386	1	43	-1.0	-36.39	351.31	5.36	-31.03
CCC(CC)(NC(=O)C1=CC=C(NC(=O)NC)C=C1Cl)C1=N[N-]N=N1	REAL300019801387	0	44	-1.0	-42.71	358.68	2.58	-40.13
CCC(CC)(NC(=O)C1=CC=C(NC(=O)NC)C=C1Cl)C1=NN=N[N-]1	REAL300019801387	1	44	-1.0	-42.71	358.75	2.59	-40.12
CCC(CC)(NC(=O)CN1N=C2CCCCN2C1=O)C1=N[N-]N=N1	REAL300019801388	0	45	-1.0	-45.68	351.00	4.49	-41.19
CCC(CC)(NC(=O)CN1N=C2CCCCN2C1=O)C1=NN=N[N-]1	REAL300019801388	1	45	-1.0	-45.65	351.07	4.50	-41.15
CCC(CC)(NC(=O)C1=CC(F)=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL300019801389	0	40	-1.0	-36.18	318.05	5.07	-31.11
CCC(CC)(NC(=O)C1=CC(F)=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL300019801389	1	40	-1.0	-36.19	317.99	5.07	-31.12
CCC(CC)(NC(=O)C1=CC2=C(S1)C(=O)NC=C2)C1=N[N-]N=N1	REAL300019801390	0	38	-1.0	-45.09	320.23	2.80	-42.29
CCC(CC)(NC(=O)C1=CC2=C(S1)C(=O)NC=C2)C1=NN=N[N-]1	REAL300019801390	1	38	-1.0	-45.08	320.29	2.81	-42.27
CCC(CC)(NC(=O)C1=CN=C(C2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300019801391	0	43	-1.0	-37.05	357.36	6.72	-30.33
CCC(CC)(NC(=O)C1=CN=C(C2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300019801391	1	43	-1.0	-37.08	357.30	6.71	-30.37
CCC(CC)(NC(=O)C1=CC=C(N2N=NN=C2C)C=C1)C1=N[N-]N=N1	REAL300019801392	0	43	-1.0	-38.07	343.16	4.47	-33.60
CCC(CC)(NC(=O)C1=CC=C(N2N=NN=C2C)C=C1)C1=NN=N[N-]1	REAL300019801392	1	43	-1.0	-38.08	343.22	4.48	-33.60
CCC(CC)(NC(=O)C1=CC=CC(CN2N=C([N+](=O)[O-])C=C2C)=C1)C1=N[N-]N=N1	REAL300019801393	0	50	-1.0	-40.76	405.18	8.23	-32.53
CCC(CC)(NC(=O)C1=CC=CC(CN2N=C([N+](=O)[O-])C=C2C)=C1)C1=NN=N[N-]1	REAL300019801393	1	50	-1.0	-40.74	405.24	8.24	-32.50
CCC(CC)(NC(=O)CC1=C(C)N(CC2CC2)N=C1C)C1=N[N-]N=N1	REAL300019801394	0	51	-1.0	-38.75	395.09	6.44	-32.31
CCC(CC)(NC(=O)CC1=C(C)N(CC2CC2)N=C1C)C1=NN=N[N-]1	REAL300019801394	1	51	-1.0	-38.78	395.15	6.45	-32.33
CCC(CC)(NC(=O)CN1C2=CC=C(OC)C=C2C2=C1CCCC2)C1=N[N-]N=N1	REAL300019801395	0	56	-1.0	-39.23	424.27	8.18	-31.05
CCC(CC)(NC(=O)CN1C2=CC=C(OC)C=C2C2=C1CCCC2)C1=NN=N[N-]1	REAL300019801395	1	56	-1.0	-39.16	424.33	8.19	-30.97
CCC(CC)(NC(=O)CCCC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019801396	0	54	-1.0	-36.44	406.09	9.20	-27.24
CCC(CC)(NC(=O)CCCC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019801396	1	54	-1.0	-36.45	406.15	9.21	-27.24
CCC(CC)(NC(=O)C1=CC=CC2=C1OCCCO2)C1=N[N-]N=N1	REAL300019801397	0	44	-1.0	-39.09	335.85	5.41	-33.68
CCC(CC)(NC(=O)C1=CC=CC2=C1OCCCO2)C1=NN=N[N-]1	REAL300019801397	1	44	-1.0	-39.08	335.92	5.41	-33.67
CCC(CC)(NC(=O)C1=NC=CC=C1SC)C1=NN=N[N-]1	REAL300019801398	0	38	-1.0	-41.18	308.00	3.71	-37.47
CCC(CC)(NC(=O)C1=NC=CC=C1SC)C1=N[N-]N=N1	REAL300019801398	1	38	-1.0	-41.15	307.93	3.70	-37.45
CCC(CC)(NC(=O)C1=NSC=C1Br)C1=NN=N[N-]1	REAL300019801399	0	31	-1.0	-37.80	279.83	2.57	-35.23
CCC(CC)(NC(=O)C1=NSC=C1Br)C1=N[N-]N=N1	REAL300019801399	1	31	-1.0	-37.81	279.76	2.56	-35.25
CCC(CC)(NC(=O)C(CC1CCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL300019801400	0	45	-1.0	-35.10	349.01	4.28	-30.82
CCC(CC)(NC(=O)C(CC1CCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL300019801400	1	45	-1.0	-35.10	349.08	4.29	-30.81
CCC1=NC=CN1C(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801401	0	47	-1.0	-35.84	358.82	5.60	-30.24
CCC1=NC=CN1C(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801401	1	47	-1.0	-35.84	358.89	5.61	-30.23
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801401	1	48	0.0	-48.42	362.02	6.06	-42.36
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801401	1	48	0.0	-48.44	362.08	6.07	-42.37
CCCOC1=CC=NC(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL300019801402	0	46	-1.0	-38.63	366.15	2.35	-36.28
CCCOC1=CC=NC(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL300019801402	1	46	-1.0	-38.64	366.22	2.37	-36.27
CCC(CC)(NC(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=NN=N[N-]1	REAL300019801403	0	38	-1.0	-41.64	320.09	6.35	-35.29
CCC(CC)(NC(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=N[N-]N=N1	REAL300019801403	1	38	-1.0	-41.65	320.02	6.34	-35.31
CCC(CC)(NC(=O)CC1=CN2CCCCC2=N1)C1=N[N-]N=N1	REAL300019801404	0	45	-1.0	-43.40	343.49	5.43	-37.97
CCC(CC)(NC(=O)CC1=CN2CCCCC2=N1)C1=NN=N[N-]1	REAL300019801404	1	45	-1.0	-43.40	343.56	5.45	-37.95
CCC(CC)(NC(=O)C1=CC=CC(SC)=N1)C1=NN=N[N-]1	REAL300019801405	0	38	-1.0	-37.35	316.62	3.90	-33.45
CCC(CC)(NC(=O)C1=CC=CC(SC)=N1)C1=N[N-]N=N1	REAL300019801405	1	38	-1.0	-37.38	316.56	3.89	-33.49
CCC(CC)(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801406	0	60	0.0	-49.23	436.04	3.92	-45.31
CCC(CC)(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801406	1	60	0.0	-49.26	436.11	3.93	-45.33
CCC(CC)(NC(=O)C1=C(C)N(CC2=CC=C(OC)C=C2)N=N1)C1=N[N-]N=N1	REAL300019801407	0	51	-1.0	-44.13	402.88	4.54	-39.59
CCC(CC)(NC(=O)C1=C(C)N(CC2=CC=C(OC)C=C2)N=N1)C1=NN=N[N-]1	REAL300019801407	1	51	-1.0	-44.16	402.94	4.54	-39.62
CCC(CC)(NC(=O)CC1(CN2C=NN=N2)CCCCC1)C1=NN=N[N-]1	REAL300019801408	0	52	-1.0	-45.35	372.61	6.04	-39.31
CCC(CC)(NC(=O)CC1(CN2C=NN=N2)CCCCC1)C1=N[N-]N=N1	REAL300019801408	1	52	-1.0	-45.36	372.52	6.05	-39.31
CCC(CC)(NC(=O)CC1=CC=C(Br)C=C1C#N)C1=N[N-]N=N1	REAL300019801409	0	39	-1.0	-38.42	340.54	5.96	-32.46
CCC(CC)(NC(=O)CC1=CC=C(Br)C=C1C#N)C1=NN=N[N-]1	REAL300019801409	1	39	-1.0	-38.39	340.61	5.97	-32.42
CCC(CC)(NC(=O)C1=CN=C(C2=CC=CC(Cl)=C2)S1)C1=NN=N[N-]1	REAL300019801410	0	41	-1.0	-35.26	358.64	5.98	-29.28
CCC(CC)(NC(=O)C1=CN=C(C2=CC=CC(Cl)=C2)S1)C1=N[N-]N=N1	REAL300019801410	1	41	-1.0	-35.26	358.58	5.97	-29.29
CCC(CC)(NC(=O)C1=CN=C(C2=C(F)C=CC=C2F)S1)C1=NN=N[N-]1	REAL300019801411	0	41	-1.0	-40.14	350.88	5.60	-34.54
CCC(CC)(NC(=O)C1=CN=C(C2=C(F)C=CC=C2F)S1)C1=N[N-]N=N1	REAL300019801411	1	41	-1.0	-40.16	350.82	5.59	-34.57
CCC(CC)(NC(=O)C(C)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019801412	0	41	-1.0	-34.41	333.17	6.19	-28.22
CCC(CC)(NC(=O)C(C)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019801412	1	41	-1.0	-34.41	333.23	6.20	-28.21
CCC(CC)(NC(=O)CC(OC)C(F)(F)F)C1=N[N-]N=N1	REAL300019801413	0	38	-1.0	-34.19	308.48	2.91	-31.28
CCC(CC)(NC(=O)CC(OC)C(F)(F)F)C1=NN=N[N-]1	REAL300019801413	1	38	-1.0	-34.22	308.55	2.93	-31.29
CCC(CC)(NC(=O)C1=CC=C(Br)C(OC(C)C)=C1)C1=N[N-]N=N1	REAL300019801414	0	45	-1.0	-33.73	365.50	5.97	-27.76
CCC(CC)(NC(=O)C1=CC=C(Br)C(OC(C)C)=C1)C1=NN=N[N-]1	REAL300019801414	1	45	-1.0	-33.74	365.57	5.99	-27.75
CCC(CC)(NC(=O)CC1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL300019801415	0	52	-1.0	-34.22	354.28	6.87	-27.35
CCC(CC)(NC(=O)CC1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL300019801415	1	52	-1.0	-34.22	354.35	6.89	-27.33
CCC(CC)(NC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801416	0	49	-1.0	-39.31	377.30	2.64	-36.67
CCC(CC)(NC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801416	1	49	-1.0	-39.31	377.36	2.65	-36.66
CCC(CC)(NC(=O)CN1C=NC(C(N)=O)=N1)C1=NN=N[N-]1	REAL300019801417	0	38	-1.0	-48.62	313.40	-0.04	-48.66
CCC(CC)(NC(=O)CN1C=NC(C(N)=O)=N1)C1=N[N-]N=N1	REAL300019801417	1	38	-1.0	-48.65	313.33	-0.05	-48.70
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC(C)=C2)N1C)C1=N[N-]N=N1	REAL300019801418	0	49	-1.0	-36.46	374.02	7.84	-28.62
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC(C)=C2)N1C)C1=NN=N[N-]1	REAL300019801418	1	49	-1.0	-36.45	374.10	7.84	-28.61
CCC(CC)(NC(=O)C1=CC=CC(N2C=CNC2=O)=C1)C1=N[N-]N=N1	REAL300019801419	0	43	-1.0	-41.17	339.11	4.58	-36.59
CCC(CC)(NC(=O)C1=CC=CC(N2C=CNC2=O)=C1)C1=NN=N[N-]1	REAL300019801419	1	43	-1.0	-41.13	339.18	4.60	-36.53
CCC(CC)(NC(=O)C1=CC=C(N2C=CNC2=O)C=C1)C1=N[N-]N=N1	REAL300019801420	0	43	-1.0	-43.40	338.94	4.59	-38.81
CCC(CC)(NC(=O)C1=CC=C(N2C=CNC2=O)C=C1)C1=NN=N[N-]1	REAL300019801420	1	43	-1.0	-43.42	339.00	4.61	-38.81
CCC(CC)(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801421	0	51	-1.0	-39.83	398.49	2.92	-36.91
CCC(CC)(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801421	1	51	-1.0	-39.85	398.56	2.93	-36.92
CCC(CC)(NC(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300019801422	0	41	-1.0	-37.09	339.32	4.34	-32.75
CCC(CC)(NC(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300019801422	1	41	-1.0	-37.05	339.38	4.34	-32.71
CCC(CC)(NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801423	0	53	-1.0	-38.76	391.65	6.82	-31.94
CCC(CC)(NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801423	1	53	-1.0	-38.78	391.71	6.82	-31.96
CCC(CC)(NC(=O)C1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300019801424	0	42	-1.0	-38.76	333.13	2.21	-36.55
CCC(CC)(NC(=O)C1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300019801424	1	42	-1.0	-38.72	333.07	2.20	-36.52
CCC(CC)(NC(=O)CC12CCCCC1C2(F)F)C1=N[N-]N=N1	REAL300019801425	0	45	-1.0	-33.41	337.26	5.88	-27.53
CCC(CC)(NC(=O)CC12CCCCC1C2(F)F)C1=NN=N[N-]1	REAL300019801425	1	45	-1.0	-33.44	337.33	5.90	-27.54
CCC(CC)(NC(=O)C1=CC(Br)=CC(C)=C1C)C1=N[N-]N=N1	REAL300019801426	0	41	-1.0	-35.07	330.08	6.26	-28.81
CCC(CC)(NC(=O)C1=CC(Br)=CC(C)=C1C)C1=NN=N[N-]1	REAL300019801426	1	41	-1.0	-35.05	330.14	6.28	-28.77
CCC(CC)(NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=N[N-]N=N1	REAL300019801427	0	51	-1.0	-33.81	369.28	7.29	-26.52
CCC(CC)(NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=NN=N[N-]1	REAL300019801427	1	51	-1.0	-33.85	369.35	7.30	-26.55
CCC(CC)(NC(=O)C[C@@H]1C[C@H]1C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019801428	0	49	-1.0	-37.24	378.32	6.55	-30.69
CCC(CC)(NC(=O)C[C@@H]1C[C@H]1C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019801428	1	49	-1.0	-37.27	378.39	6.56	-30.71
CCC(CC)(NC(=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019801429	0	52	-1.0	-37.86	411.76	8.40	-29.46
CCC(CC)(NC(=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019801429	1	52	-1.0	-37.92	411.83	8.41	-29.51
CCC(CC)(NC(=O)C1=C2C(Cl)=CC=CN2N=C1)C1=NN=N[N-]1	REAL300019801430	0	38	-1.0	-42.19	313.43	4.68	-37.51
CCC(CC)(NC(=O)C1=C2C(Cl)=CC=CN2N=C1)C1=N[N-]N=N1	REAL300019801430	1	38	-1.0	-42.21	313.36	4.67	-37.54
CCC(CC)(NC(=O)C1=CC=C(C#N)C(OC)=C1)C1=N[N-]N=N1	REAL300019801431	0	40	-1.0	-35.49	325.48	4.15	-31.34
CCC(CC)(NC(=O)C1=CC=C(C#N)C(OC)=C1)C1=NN=N[N-]1	REAL300019801431	1	40	-1.0	-35.53	325.54	4.17	-31.36
CCC(CC)(NC(=O)C1=CC=C(Br)C(F)=C1C)C1=N[N-]N=N1	REAL300019801432	0	38	-1.0	-31.81	316.85	5.86	-25.95
CCC(CC)(NC(=O)C1=CC=C(Br)C(F)=C1C)C1=NN=N[N-]1	REAL300019801432	1	38	-1.0	-31.84	316.91	5.86	-25.98
CCC(CC)(NC(=O)C1=C2C=C(C)C=CN2C=N1)C1=NN=N[N-]1	REAL300019801433	0	41	-1.0	-46.73	324.82	6.51	-40.22
CCC(CC)(NC(=O)C1=C2C=C(C)C=CN2C=N1)C1=N[N-]N=N1	REAL300019801433	1	41	-1.0	-46.70	324.75	6.50	-40.20
CCC(CC)(NC(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300019801434	0	37	-1.0	-36.19	326.79	4.40	-31.79
CCC(CC)(NC(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300019801434	1	37	-1.0	-36.23	326.72	4.39	-31.84
CCC(CC)(NC(=O)C1=CC=C(F)C2=CC=NC=C12)C1=NN=N[N-]1	REAL300019801435	0	40	-1.0	-34.77	318.13	4.94	-29.83
CCC(CC)(NC(=O)C1=CC=C(F)C2=CC=NC=C12)C1=N[N-]N=N1	REAL300019801435	1	40	-1.0	-34.78	318.06	4.93	-29.85
CCC(CC)(NC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1=NN=N[N-]1	REAL300019801436	0	38	-1.0	-36.21	337.14	5.55	-30.66
CCC(CC)(NC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1=N[N-]N=N1	REAL300019801436	1	38	-1.0	-36.20	337.07	5.53	-30.67
CCC(CC)(NC(=O)CCC1=CSC=C1Br)C1=N[N-]N=N1	REAL300019801437	0	38	-1.0	-34.89	331.27	5.40	-29.49
CCC(CC)(NC(=O)CCC1=CSC=C1Br)C1=NN=N[N-]1	REAL300019801437	1	38	-1.0	-34.89	331.33	5.42	-29.47
CCC(CC)(NC(=O)CC(N1C=CC=N1)C(F)(F)F)C1=NN=N[N-]1	REAL300019801438	0	41	-1.0	-36.96	333.22	4.18	-32.78
CCC(CC)(NC(=O)CC(N1C=CC=N1)C(F)(F)F)C1=N[N-]N=N1	REAL300019801438	1	41	-1.0	-36.95	333.15	4.17	-32.78
CCC(CC)(NC(=O)CC1(C#N)CCCCC1)C1=N[N-]N=N1	REAL300019801439	0	45	-1.0	-40.88	333.19	5.09	-35.79
CCC(CC)(NC(=O)CC1(C#N)CCCCC1)C1=NN=N[N-]1	REAL300019801439	1	45	-1.0	-40.85	333.25	5.10	-35.75
CCC(CC)(NC(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019801440	0	41	-1.0	-37.45	355.50	2.68	-34.77
CCC(CC)(NC(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019801440	1	41	-1.0	-37.48	355.57	2.69	-34.79
CCC(CC)(NC(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=NN=N[N-]1	REAL300019801441	0	37	-1.0	-36.11	320.24	4.34	-31.77
CCC(CC)(NC(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=N[N-]N=N1	REAL300019801441	1	37	-1.0	-36.11	320.17	4.33	-31.78
CCC(CC)(NC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019801442	0	49	-1.0	-38.53	385.33	6.21	-32.32
CCC(CC)(NC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019801442	1	49	-1.0	-38.51	385.39	6.22	-32.29
CCC(CC)(NC(=O)C=CC1=CC=C(OC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300019801443	0	46	-1.0	-35.59	376.34	6.18	-29.41
CCC(CC)(NC(=O)C=CC1=CC=C(OC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300019801443	1	46	-1.0	-35.61	376.40	6.20	-29.41
CCC(CC)(NC(=O)CC1CCCC2=CC=C(C(=O)OC)C=C21)C1=N[N-]N=N1	REAL300019801444	0	54	-1.0	-40.19	409.89	8.01	-32.18
CCC(CC)(NC(=O)CC1CCCC2=CC=C(C(=O)OC)C=C21)C1=NN=N[N-]1	REAL300019801444	1	54	-1.0	-40.15	409.96	8.01	-32.14
CCC(CC)(NC(=O)CCC1=CC(OC)=NO1)C1=N[N-]N=N1	REAL300019801445	0	41	-1.0	-36.89	329.83	1.50	-35.39
CCC(CC)(NC(=O)CCC1=CC(OC)=NO1)C1=NN=N[N-]1	REAL300019801445	1	41	-1.0	-36.87	329.89	1.51	-35.36
CCC(CC)(NC(=O)C1=C2C=CNC2=NC=N1)C1=NN=N[N-]1	REAL300019801446	0	37	-1.0	-40.79	296.73	3.70	-37.09
CCC(CC)(NC(=O)C1=C2C=CNC2=NC=N1)C1=N[N-]N=N1	REAL300019801446	1	37	-1.0	-40.79	296.67	3.69	-37.10
CCC(CC)(NC(=O)C1CCC(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019801447	0	56	-1.0	-39.43	398.68	7.14	-32.29
CCC(CC)(NC(=O)C1CCC(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019801447	1	56	-1.0	-39.43	398.74	7.14	-32.29
CCC(CC)(NC(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=NN=N[N-]1	REAL300019801448	0	46	-1.0	-40.88	355.90	7.34	-33.54
CCC(CC)(NC(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=N[N-]N=N1	REAL300019801448	1	46	-1.0	-40.88	355.83	7.32	-33.56
CCCCCC1=NNC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019801449	0	47	-1.0	-33.60	364.75	4.70	-28.90
CCCCCC1=NNC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019801449	1	47	-1.0	-33.60	364.80	4.70	-28.90
CCC(CC)(NC(=O)C1=C(C)N(C2CCOCC2)C(C)=C1)C1=N[N-]N=N1	REAL300019801450	0	53	-1.0	-39.07	384.69	5.74	-33.33
CCC(CC)(NC(=O)C1=C(C)N(C2CCOCC2)C(C)=C1)C1=NN=N[N-]1	REAL300019801450	1	53	-1.0	-39.11	384.74	5.75	-33.36
CCC(CC)(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=NN=N[N-]1	REAL300019801451	0	41	-1.0	-35.24	340.99	5.52	-29.72
CCC(CC)(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=N[N-]N=N1	REAL300019801451	1	41	-1.0	-35.22	340.93	5.50	-29.72
CCC(CC)(NC(=O)C1=CC(C)=NC(NCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019801452	0	45	-1.0	-34.74	368.46	4.19	-30.55
CCC(CC)(NC(=O)C1=CC(C)=NC(NCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019801452	1	45	-1.0	-34.72	368.53	4.21	-30.51
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CC(C)=N1)C1=N[N-]N=N1	REAL300019801453	0	39	-1.0	-36.32	323.22	4.00	-32.32
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CC(C)=N1)C1=NN=N[N-]1	REAL300019801453	1	39	-1.0	-36.35	323.28	4.02	-32.33
CCC(CC)(NC(=O)C1CC(C)(C)CC(C)(C)C1)C1=N[N-]N=N1	REAL300019801454	0	53	-1.0	-33.70	371.65	6.68	-27.02
CCC(CC)(NC(=O)C1CC(C)(C)CC(C)(C)C1)C1=NN=N[N-]1	REAL300019801454	1	53	-1.0	-33.68	371.71	6.68	-27.00
CCC(CC)(NC(=O)CN1C=C(C2CC2)C=N1)C1=NN=N[N-]1	REAL300019801455	0	42	-1.0	-39.39	331.29	4.79	-34.60
CCC(CC)(NC(=O)CN1C=C(C2CC2)C=N1)C1=N[N-]N=N1	REAL300019801455	1	42	-1.0	-39.39	331.23	4.79	-34.60
CCC(CC)(NC(=O)C1=CC=CC2=C1COCC2)C1=N[N-]N=N1	REAL300019801456	0	43	-1.0	-36.93	324.00	4.56	-32.37
CCC(CC)(NC(=O)C1=CC=CC2=C1COCC2)C1=NN=N[N-]1	REAL300019801456	1	43	-1.0	-36.88	324.07	4.57	-32.31
CCC(CC)(NC(=O)C1=C(Br)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019801457	0	44	-1.0	-35.90	350.39	4.52	-31.38
CCC(CC)(NC(=O)C1=C(Br)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019801457	1	44	-1.0	-35.88	350.33	4.52	-31.36
CCC(CC)(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801458	0	51	-1.0	-37.06	380.04	4.49	-32.57
CCC(CC)(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801458	1	51	-1.0	-37.02	380.11	4.51	-32.51
CCC(CC)(NC(=O)C1=C(C)OC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL300019801459	0	41	-1.0	-37.09	333.05	4.13	-32.96
CCC(CC)(NC(=O)C1=C(C)OC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL300019801459	1	41	-1.0	-37.09	333.11	4.14	-32.95
CCC(CC)(NC(=O)C(CO)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019801460	0	42	-1.0	-37.60	325.20	2.79	-34.81
CCC(CC)(NC(=O)C(CO)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801460	1	42	-1.0	-37.58	325.27	2.81	-34.77
CCC(CC)(NC(=O)C1=CC(Cl)=C(Br)C=N1)C1=NN=N[N-]1	REAL300019801461	0	34	-1.0	-33.55	309.53	3.78	-29.77
CCC(CC)(NC(=O)C1=CC(Cl)=C(Br)C=N1)C1=N[N-]N=N1	REAL300019801461	1	34	-1.0	-33.56	309.46	3.77	-29.79
CCC(CC)(NC(=O)C1=C2N=C(CO)NC2=CC=C1)C1=NN=N[N-]1	REAL300019801462	0	42	-1.0	-44.87	333.57	0.84	-44.03
CCC(CC)(NC(=O)C1=C2N=C(CO)NC2=CC=C1)C1=N[N-]N=N1	REAL300019801462	1	42	-1.0	-44.84	333.50	0.83	-44.01
CCC(CC)(NC(=O)CC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019801463	0	43	-1.0	-38.93	338.37	5.46	-33.47
CCC(CC)(NC(=O)CC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019801463	1	43	-1.0	-38.94	338.44	5.47	-33.47
CCC(CC)(NC(=O)C=C(C)CN1CCOCC1)C1=N[N-]N=N1	REAL300019801464	0	48	-1.0	-35.67	358.03	1.87	-33.80
CCC(CC)(NC(=O)C=C(C)CN1CCOCC1)C1=NN=N[N-]1	REAL300019801464	1	48	-1.0	-35.69	358.10	1.89	-33.80
CCC(CC)(NC(=O)C1=NN=C(C2=CC=CO2)O1)C1=N[N-]N=N1	REAL300019801465	0	37	-1.0	-38.39	311.62	-1.34	-39.73
CCC(CC)(NC(=O)C1=NN=C(C2=CC=CO2)O1)C1=NN=N[N-]1	REAL300019801465	1	37	-1.0	-38.39	311.69	-1.33	-39.72
CCC(CC)(NC(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=N[N-]N=N1	REAL300019801466	0	38	-1.0	-38.47	314.78	4.05	-34.42
CCC(CC)(NC(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=NN=N[N-]1	REAL300019801466	1	38	-1.0	-38.45	314.85	4.06	-34.39
CCC(CC)(NC(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019801467	0	46	-1.0	-36.13	366.39	5.85	-30.28
CCC(CC)(NC(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019801467	1	46	-1.0	-36.12	366.46	5.86	-30.26
CCC(CC)(NC(=O)C1=CC=CC(SC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019801468	0	39	-1.0	-33.21	332.23	5.91	-27.30
CCC(CC)(NC(=O)C1=CC=CC(SC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019801468	1	39	-1.0	-33.21	332.29	5.92	-27.29
CCC(CC)(NC(=O)CC1=C(C)N=C(SCC(C)C)S1)C1=N[N-]N=N1	REAL300019801469	0	50	-1.0	-36.36	409.46	6.31	-30.05
CCC(CC)(NC(=O)CC1=C(C)N=C(SCC(C)C)S1)C1=NN=N[N-]1	REAL300019801469	1	50	-1.0	-36.40	409.52	6.32	-30.08
CCC(CC)(NC(=O)C1=NN2C=CC=NC2=N1)C1=NN=N[N-]1	REAL300019801470	0	36	-1.0	-49.57	296.05	4.71	-44.86
CCC(CC)(NC(=O)C1=NN2C=CC=NC2=N1)C1=N[N-]N=N1	REAL300019801470	1	36	-1.0	-49.54	295.98	4.71	-44.83
CCC(CC)(NC(=O)C1=CC2=C(C)C(Br)=CC=C2N1)C1=N[N-]N=N1	REAL300019801471	0	42	-1.0	-33.40	347.54	5.65	-27.75
CCC(CC)(NC(=O)C1=CC2=C(C)C(Br)=CC=C2N1)C1=NN=N[N-]1	REAL300019801471	1	42	-1.0	-33.38	347.60	5.65	-27.73
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC=C1OC)C1=NN=N[N-]1	REAL300019801472	0	42	-1.0	-38.11	337.43	4.63	-33.48
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC=C1OC)C1=N[N-]N=N1	REAL300019801472	1	42	-1.0	-38.11	337.36	4.61	-33.50
CCC(CC)(NC(=O)C1=CC=C2NN=C(C)C2=C1)C1=N[N-]N=N1	REAL300019801473	0	41	-1.0	-36.40	324.32	3.73	-32.67
CCC(CC)(NC(=O)C1=CC=C2NN=C(C)C2=C1)C1=NN=N[N-]1	REAL300019801473	1	41	-1.0	-36.42	324.38	3.74	-32.68
CCC(CC)(NC(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=N[N-]N=N1	REAL300019801474	0	41	-1.0	-39.20	336.99	-0.39	-39.59
CCC(CC)(NC(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=NN=N[N-]1	REAL300019801474	1	41	-1.0	-39.21	337.05	-0.37	-39.58
CCC(CC)(NC(=O)C1=CNC(=S)N1C1CC1)C1=N[N-]N=N1	REAL300019801475	0	40	-1.0	-37.37	320.23	4.62	-32.75
CCC(CC)(NC(=O)C1=CNC(=S)N1C1CC1)C1=NN=N[N-]1	REAL300019801475	1	40	-1.0	-37.40	320.29	4.63	-32.77
CCC(CC)(NC(=O)C=CC1=CC=C(C2OCCO2)O1)C1=N[N-]N=N1	REAL300019801476	0	45	-1.0	-40.18	362.83	3.92	-36.26
CCC(CC)(NC(=O)C=CC1=CC=C(C2OCCO2)O1)C1=NN=N[N-]1	REAL300019801476	1	45	-1.0	-40.20	362.89	3.93	-36.27
CCC(CC)(NC(=O)C1=COC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL300019801477	0	40	-1.0	-41.38	330.30	1.24	-40.14
CCC(CC)(NC(=O)C1=COC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL300019801477	1	40	-1.0	-41.36	330.24	1.23	-40.13
CCC(CC)(NC(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019801478	0	45	-1.0	-38.45	376.03	4.42	-34.03
CCC(CC)(NC(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019801478	1	45	-1.0	-38.39	376.09	4.43	-33.96
CCC(CC)(NC(=O)C1=CC=CC(OCC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019801479	0	54	-1.0	-42.38	416.61	7.34	-35.04
CCC(CC)(NC(=O)C1=CC=CC(OCC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019801479	1	54	-1.0	-42.36	416.68	7.35	-35.01
CCC(CC)(NC(=O)C1=NN(CCCOC)C(=O)C=C1)C1=N[N-]N=N1	REAL300019801480	0	47	-1.0	-37.10	375.33	2.29	-34.81
CCC(CC)(NC(=O)C1=NN(CCCOC)C(=O)C=C1)C1=NN=N[N-]1	REAL300019801480	1	47	-1.0	-37.10	375.40	2.30	-34.80
CCC(CC)(NC(=O)C1=NN(C(C)(C)C)C=C1Br)C1=NN=N[N-]1	REAL300019801481	0	44	-1.0	-39.90	359.62	4.97	-34.93
CCC(CC)(NC(=O)C1=NN(C(C)(C)C)C=C1Br)C1=N[N-]N=N1	REAL300019801481	1	44	-1.0	-39.90	359.55	4.97	-34.93
CCC(CC)(NC(=O)C1=C2C=CSC2=NC=N1)C1=NN=N[N-]1	REAL300019801482	0	36	-1.0	-36.52	300.86	3.87	-32.65
CCC(CC)(NC(=O)C1=C2C=CSC2=NC=N1)C1=N[N-]N=N1	REAL300019801482	1	36	-1.0	-36.52	300.79	3.87	-32.65
CCC(CC)(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C1=N[N-]N=N1	REAL300019801483	0	63	-1.0	-36.96	453.60	5.32	-31.64
CCC(CC)(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C1=NN=N[N-]1	REAL300019801483	1	63	-1.0	-37.02	453.67	5.34	-31.68
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C1=N[N-]N=N1	REAL300019801484	0	49	-1.0	-36.19	379.54	6.06	-30.13
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C1=NN=N[N-]1	REAL300019801484	1	49	-1.0	-36.18	379.60	6.07	-30.11
CCC(CC)(NC(=O)C1=CC=C(OCC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019801485	0	54	-1.0	-38.87	416.54	7.34	-31.53
CCC(CC)(NC(=O)C1=CC=C(OCC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019801485	1	54	-1.0	-38.90	416.60	7.36	-31.54
CCC(CC)(NC(=O)CC(C)N1C=CC(C)=N1)C1=N[N-]N=N1	REAL300019801486	0	44	-1.0	-37.09	339.38	4.14	-32.95
CCC(CC)(NC(=O)CC(C)N1C=CC(C)=N1)C1=NN=N[N-]1	REAL300019801486	1	44	-1.0	-37.10	339.45	4.16	-32.94
CCC(CC)(NC(=O)CCCC1=CC=CN=C1)C1=N[N-]N=N1	REAL300019801487	0	43	-1.0	-38.09	338.22	4.92	-33.17
CCC(CC)(NC(=O)CCCC1=CC=CN=C1)C1=NN=N[N-]1	REAL300019801487	1	43	-1.0	-38.06	338.29	4.94	-33.12
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C(OC)=C1)C1=N[N-]N=N1	REAL300019801488	0	42	-1.0	-34.01	342.74	4.83	-29.18
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C(OC)=C1)C1=NN=N[N-]1	REAL300019801488	1	42	-1.0	-33.97	342.81	4.84	-29.13
CCC(CC)(NC(=O)CC1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300019801489	0	45	-1.0	-40.76	353.86	2.69	-38.07
CCC(CC)(NC(=O)CC1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300019801489	1	45	-1.0	-40.78	353.92	2.71	-38.07
CCC(CC)(NC(=O)C1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL300019801490	0	43	-1.0	-36.48	329.59	4.54	-31.94
CCC(CC)(NC(=O)C1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL300019801490	1	43	-1.0	-36.46	329.66	4.55	-31.91
CCC(CC)(NC(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300019801491	0	38	-1.0	-34.87	331.65	6.37	-28.50
CCC(CC)(NC(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300019801491	1	38	-1.0	-34.90	331.72	6.38	-28.52
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019801492	0	46	-1.0	-36.48	357.11	5.88	-30.60
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019801492	1	46	-1.0	-36.43	357.17	5.89	-30.54
CCC(CC)(NC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL300019801493	0	44	-1.0	-37.67	355.09	6.08	-31.59
CCC(CC)(NC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL300019801493	1	44	-1.0	-37.72	355.15	6.09	-31.63
CCC(CC)(NC(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300019801494	0	54	-1.0	-35.39	402.36	8.93	-26.46
CCC(CC)(NC(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300019801494	1	54	-1.0	-35.39	402.42	8.94	-26.45
CCC(CC)(NC(=O)C1=CN=CC(COC)=C1)C1=NN=N[N-]1	REAL300019801495	0	41	-1.0	-36.67	326.02	2.37	-34.30
CCC(CC)(NC(=O)C1=CN=CC(COC)=C1)C1=N[N-]N=N1	REAL300019801495	1	41	-1.0	-36.67	325.96	2.36	-34.31
CCC(CC)(NC(=O)C1CCC(C(=O)N(C)C)CC1)C1=N[N-]N=N1	REAL300019801496	0	51	-1.0	-44.27	361.96	4.25	-40.02
CCC(CC)(NC(=O)C1CCC(C(=O)N(C)C)CC1)C1=NN=N[N-]1	REAL300019801496	1	51	-1.0	-44.30	362.03	4.27	-40.03
CCC(CC)(NC(=O)C1=CN=CC(Br)=C1C)C1=N[N-]N=N1	REAL300019801497	0	37	-1.0	-32.73	304.46	3.97	-28.76
CCC(CC)(NC(=O)C1=CN=CC(Br)=C1C)C1=NN=N[N-]1	REAL300019801497	1	37	-1.0	-32.74	304.52	3.97	-28.77
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)C1=N[N-]N=N1	REAL300019801498	0	45	-1.0	-38.74	373.63	4.78	-33.96
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)C1=NN=N[N-]1	REAL300019801498	1	45	-1.0	-38.76	373.69	4.78	-33.98
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1)C1=N[N-]N=N1	REAL300019801499	0	48	-1.0	-37.42	370.42	4.69	-32.73
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1)C1=NN=N[N-]1	REAL300019801499	1	48	-1.0	-37.41	370.49	4.71	-32.70
CCC(CC)(NC(=O)CC1=C(Cl)C=CC=C1Br)C1=N[N-]N=N1	REAL300019801500	0	38	-1.0	-36.01	332.63	6.04	-29.97
CCC(CC)(NC(=O)CC1=C(Cl)C=CC=C1Br)C1=NN=N[N-]1	REAL300019801500	1	38	-1.0	-35.96	332.69	6.05	-29.91
CCC(CC)(NC(=O)CC1=CC=CC(OC)=C1Cl)C1=N[N-]N=N1	REAL300019801501	0	42	-1.0	-38.90	343.52	4.89	-34.01
CCC(CC)(NC(=O)CC1=CC=CC(OC)=C1Cl)C1=NN=N[N-]1	REAL300019801501	1	42	-1.0	-38.90	343.59	4.90	-34.00
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019801502	0	54	-1.0	-36.67	400.30	5.64	-31.03
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019801502	1	54	-1.0	-36.67	400.37	5.66	-31.01
CCC(CC)(NC(=O)CCC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL300019801503	0	38	-1.0	-35.62	325.03	5.47	-30.15
CCC(CC)(NC(=O)CCC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL300019801503	1	38	-1.0	-35.64	325.10	5.49	-30.15
CCC(CC)(NC(=O)C(CC1COCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL300019801504	0	46	-1.0	-35.34	355.65	3.16	-32.18
CCC(CC)(NC(=O)C(CC1COCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL300019801504	1	46	-1.0	-35.34	355.72	3.18	-32.16
CCC(CC)(NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C1=N[N-]N=N1	REAL300019801505	0	48	-1.0	-35.23	367.51	3.65	-31.58
CCC(CC)(NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C1=NN=N[N-]1	REAL300019801505	1	48	-1.0	-35.22	367.57	3.67	-31.55
CCC(CC)(NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801506	0	55	-1.0	-41.87	410.30	5.20	-36.67
CCC(CC)(NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801506	1	55	-1.0	-41.87	410.37	5.22	-36.65
CCC(CC)(NC(=O)CC1=CC=C(Br)C=C1F)C1=N[N-]N=N1	REAL300019801507	0	38	-1.0	-35.97	327.25	5.78	-30.19
CCC(CC)(NC(=O)CC1=CC=C(Br)C=C1F)C1=NN=N[N-]1	REAL300019801507	1	38	-1.0	-35.95	327.31	5.79	-30.16
CCC(CC)(NC(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=NN=N[N-]1	REAL300019801508	0	41	-1.0	-49.31	332.80	4.43	-44.88
CCC(CC)(NC(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=N[N-]N=N1	REAL300019801508	1	41	-1.0	-49.31	332.73	4.42	-44.89
CCC(CC)(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300019801509	0	54	-1.0	-39.66	399.32	5.76	-33.90
CCC(CC)(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300019801509	1	54	-1.0	-39.68	399.38	5.77	-33.91
CCC(CC)(NC(=O)C1=CC=C(OC(C)C)C(C(C)=O)=C1)C1=N[N-]N=N1	REAL300019801510	0	50	-1.0	-37.70	385.55	7.05	-30.65
CCC(CC)(NC(=O)C1=CC=C(OC(C)C)C(C(C)=O)=C1)C1=NN=N[N-]1	REAL300019801510	1	50	-1.0	-37.72	385.62	7.06	-30.66
CCC(CC)(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019801511	0	47	-1.0	-38.80	371.02	5.10	-33.70
CCC(CC)(NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019801511	1	47	-1.0	-38.81	370.95	5.09	-33.72
CCC(CC)(NC(=O)C1=C2CCCCN2C=C1)C1=N[N-]N=N1	REAL300019801512	0	43	-1.0	-39.84	324.02	5.79	-34.05
CCC(CC)(NC(=O)C1=C2CCCCN2C=C1)C1=NN=N[N-]1	REAL300019801512	1	43	-1.0	-39.83	324.09	5.79	-34.04
CCC(CC)(NC(=O)C1=CC=CC(NC2=NC=CC(C)=N2)=C1)C1=NN=N[N-]1	REAL300019801513	0	48	-1.0	-41.18	379.48	7.60	-33.58
CCC(CC)(NC(=O)C1=CC=CC(NC2=NC=CC(C)=N2)=C1)C1=N[N-]N=N1	REAL300019801513	1	48	-1.0	-41.19	379.41	7.59	-33.60
CCNC1=NC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)S1	REAL300019801514	0	39	-1.0	-36.14	321.25	2.57	-33.57
CCNC1=NC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)S1	REAL300019801514	1	39	-1.0	-36.13	321.19	2.56	-33.57
CCC(CC)(NC(=O)C(F)(F)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019801515	0	38	-1.0	-32.83	331.47	5.84	-26.99
CCC(CC)(NC(=O)C(F)(F)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019801515	1	38	-1.0	-32.77	331.40	5.83	-26.94
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300019801516	0	45	-1.0	-35.47	346.23	6.99	-28.48
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300019801516	1	45	-1.0	-35.44	346.30	7.00	-28.44
CCC(CC)(NC(=O)C1CC2=CC=CC=C2CO1)C1=N[N-]N=N1	REAL300019801517	0	43	-1.0	-36.58	332.87	5.49	-31.09
CCC(CC)(NC(=O)C1CC2=CC=CC=C2CO1)C1=NN=N[N-]1	REAL300019801517	1	43	-1.0	-36.56	332.94	5.50	-31.06
CCC(CC)(NC(=O)C(OC)C1CCCCC1)C1=N[N-]N=N1	REAL300019801518	0	48	-1.0	-35.00	349.28	5.21	-29.79
CCC(CC)(NC(=O)C(OC)C1CCCCC1)C1=NN=N[N-]1	REAL300019801518	1	48	-1.0	-34.95	349.34	5.22	-29.73
CCC(CC)(NC(=O)C1=CC=C2OC(C)CC2=C1)C1=N[N-]N=N1	REAL300019801519	0	43	-1.0	-36.26	332.73	5.03	-31.23
CCC(CC)(NC(=O)C1=CC=C2OC(C)CC2=C1)C1=NN=N[N-]1	REAL300019801519	1	43	-1.0	-36.21	332.80	5.04	-31.17
CCC(CC)(NC(=O)C1CC2(C1)CCCCC2)C1=N[N-]N=N1	REAL300019801520	0	48	-1.0	-34.12	346.88	6.32	-27.80
CCC(CC)(NC(=O)C1CC2(C1)CCCCC2)C1=NN=N[N-]1	REAL300019801520	1	48	-1.0	-34.13	346.95	6.34	-27.79
CCC(CC)(NC(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019801521	0	41	-1.0	-36.27	333.27	7.33	-28.94
CCC(CC)(NC(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019801521	1	41	-1.0	-36.27	333.21	7.33	-28.94
CCC(CC)(NC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12)C1=NN=N[N-]1	REAL300019801522	0	41	-1.0	-52.94	342.91	6.60	-46.34
CCC(CC)(NC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12)C1=N[N-]N=N1	REAL300019801522	1	41	-1.0	-52.87	342.85	6.59	-46.28
CCC(CC)(NC(=O)C1=C(C)N(C2=CN(C)N=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019801523	0	49	-1.0	-40.84	383.93	6.22	-34.62
CCC(CC)(NC(=O)C1=C(C)N(C2=CN(C)N=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019801523	1	49	-1.0	-40.84	383.86	6.21	-34.63
CCC(CC)(NC(=O)CC1=C(C2=CC=CS2)N=C(C)S1)C1=NN=N[N-]1	REAL300019801524	0	44	-1.0	-37.99	367.02	5.31	-32.68
CCC(CC)(NC(=O)CC1=C(C2=CC=CS2)N=C(C)S1)C1=N[N-]N=N1	REAL300019801524	1	44	-1.0	-38.03	366.95	5.30	-32.73
CCC(CC)(NC(=O)C1=CC(COC)=CS1)C1=N[N-]N=N1	REAL300019801525	0	39	-1.0	-36.17	322.49	3.28	-32.89
CCC(CC)(NC(=O)C1=CC(COC)=CS1)C1=NN=N[N-]1	REAL300019801525	1	39	-1.0	-36.13	322.56	3.28	-32.85
CCC(CC)(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL300019801526	0	48	0.0	-53.03	364.92	5.14	-47.89
CCC(CC)(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL300019801526	1	48	0.0	-53.02	364.99	5.15	-47.87
CCC(CC)(NC(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300019801527	0	49	-1.0	-39.28	387.27	5.21	-34.07
CCC(CC)(NC(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300019801527	1	49	-1.0	-39.27	387.20	5.20	-34.07
CCC(CC)(NC(=O)C1=CC(N)=NC(Br)=C1)C1=NN=N[N-]1	REAL300019801528	0	36	-1.0	-34.63	307.74	1.95	-32.68
CCC(CC)(NC(=O)C1=CC(N)=NC(Br)=C1)C1=N[N-]N=N1	REAL300019801528	1	36	-1.0	-34.63	307.67	1.93	-32.70
CCC(CC)(NC(=O)C1=NOC2=C1COCC2)C1=N[N-]N=N1	REAL300019801529	0	39	-1.0	-38.34	306.85	2.16	-36.18
CCC(CC)(NC(=O)C1=NOC2=C1COCC2)C1=NN=N[N-]1	REAL300019801529	1	39	-1.0	-38.31	306.92	2.16	-36.15
CCC(CC)(NC(=O)C1=CC2=NC(C)=CN2C=C1)C1=N[N-]N=N1	REAL300019801530	0	41	-1.0	-39.06	324.38	5.59	-33.47
CCC(CC)(NC(=O)C1=CC2=NC(C)=CN2C=C1)C1=NN=N[N-]1	REAL300019801530	1	41	-1.0	-39.06	324.45	5.60	-33.46
CCC(CC)(NC(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019801531	0	49	-1.0	-37.78	388.31	8.52	-29.26
CCC(CC)(NC(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019801531	1	49	-1.0	-37.77	388.38	8.53	-29.24
CCC(CC)(NC(=O)C1=CNC2=CC(OC)=CC(OC)=C2C1=O)C1=N[N-]N=N1	REAL300019801532	0	49	-1.0	-56.20	380.85	4.40	-51.80
CCC(CC)(NC(=O)C1=CNC2=CC(OC)=CC(OC)=C2C1=O)C1=NN=N[N-]1	REAL300019801532	1	49	-1.0	-56.17	380.91	4.40	-51.77
CCC(CC)(NC(=O)CC1NC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019801533	0	43	-1.0	-40.97	339.59	3.00	-37.97
CCC(CC)(NC(=O)CC1NC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019801533	1	43	-1.0	-41.00	339.66	3.00	-38.00
CCC(CC)(NC(=O)C1=CC=C(NC)C(F)=C1)C1=N[N-]N=N1	REAL300019801534	0	40	-1.0	-36.87	315.32	3.46	-33.41
CCC(CC)(NC(=O)C1=CC=C(NC)C(F)=C1)C1=NN=N[N-]1	REAL300019801534	1	40	-1.0	-36.87	315.39	3.46	-33.41
CCC(CC)(NC(=O)C(C)C(O)CN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801535	0	58	-1.0	-42.97	431.01	3.60	-39.37
CCC(CC)(NC(=O)C(C)C(O)CN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801535	1	58	-1.0	-42.93	431.07	3.62	-39.31
CCC(CC)(NC(=O)C1CCC2C(C1)C2(F)F)C1=N[N-]N=N1	REAL300019801536	0	42	-1.0	-35.54	317.95	5.40	-30.14
CCC(CC)(NC(=O)C1CCC2C(C1)C2(F)F)C1=NN=N[N-]1	REAL300019801536	1	42	-1.0	-35.54	318.02	5.41	-30.13
CCC(CC)(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL300019801537	0	46	-1.0	-41.75	355.98	1.10	-40.65
CCC(CC)(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL300019801537	1	46	-1.0	-41.76	356.05	1.11	-40.65
CCC(CC)(NC(=O)CC1=CC=C(OC)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019801538	0	46	-1.0	-41.19	369.00	4.61	-36.58
CCC(CC)(NC(=O)CC1=CC=C(OC)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019801538	1	46	-1.0	-41.18	369.07	4.62	-36.56
CCC(CC)(NC(=O)CC1=CC=CC(C)=C1Br)C1=N[N-]N=N1	REAL300019801539	0	41	-1.0	-36.35	336.91	6.19	-30.16
CCC(CC)(NC(=O)CC1=CC=CC(C)=C1Br)C1=NN=N[N-]1	REAL300019801539	1	41	-1.0	-36.34	336.98	6.20	-30.14
CCC(CC)(NC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019801540	0	50	-1.0	-39.17	381.99	3.95	-35.22
CCC(CC)(NC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019801540	1	50	-1.0	-39.22	382.06	3.96	-35.26
CCC(CC)(NC(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL300019801541	0	44	-1.0	-44.16	353.53	4.87	-39.29
CCC(CC)(NC(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL300019801541	1	44	-1.0	-44.20	353.46	4.86	-39.34
CCC(CC)(NC(=O)CC1=CC(C)=C(Cl)C=N1)C1=N[N-]N=N1	REAL300019801542	0	40	-1.0	-38.07	329.75	4.57	-33.50
CCC(CC)(NC(=O)CC1=CC(C)=C(Cl)C=N1)C1=NN=N[N-]1	REAL300019801542	1	40	-1.0	-38.06	329.82	4.59	-33.47
CCC(CC)(NC(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=N[N-]N=N1	REAL300019801543	0	37	-1.0	-33.86	319.50	3.49	-30.37
CCC(CC)(NC(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=NN=N[N-]1	REAL300019801543	1	37	-1.0	-33.87	319.57	3.50	-30.37
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C1=N[N-]N=N1	REAL300019801544	0	38	-1.0	-35.34	326.62	6.07	-29.27
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C1=NN=N[N-]1	REAL300019801544	1	38	-1.0	-35.37	326.69	6.08	-29.29
CCN1C(=O)NC2=CC(C(=O)NC(CC)(CC)C3=N[N-]N=N3)=CC=C21	REAL300019801545	0	45	-1.0	-37.72	354.79	4.37	-33.35
CCN1C(=O)NC2=CC(C(=O)NC(CC)(CC)C3=NN=N[N-]3)=CC=C21	REAL300019801545	1	45	-1.0	-37.70	354.85	4.37	-33.33
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=N[N-]N=N1	REAL300019801546	0	46	-1.0	-37.58	360.63	4.90	-32.68
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=NN=N[N-]1	REAL300019801546	1	46	-1.0	-37.64	360.69	4.91	-32.73
CCC(CC)(NC(=O)C1CCN(C(=O)OC)CC1)C1=N[N-]N=N1	REAL300019801547	0	46	-1.0	-38.37	349.48	3.35	-35.02
CCC(CC)(NC(=O)C1CCN(C(=O)OC)CC1)C1=NN=N[N-]1	REAL300019801547	1	46	-1.0	-38.37	349.54	3.37	-35.00
CCC(CC)(NC(=O)CCC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL300019801548	0	40	-1.0	-38.12	329.67	4.46	-33.66
CCC(CC)(NC(=O)CCC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL300019801548	1	40	-1.0	-38.12	329.61	4.45	-33.67
CCC(CC)(NC(=O)C1CCCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801549	0	58	-1.0	-39.80	419.97	6.45	-33.35
CCC(CC)(NC(=O)C1CCCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801549	1	58	-1.0	-39.78	420.04	6.46	-33.32
CCC(CC)(NC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801550	0	58	-1.0	-35.64	432.93	2.88	-32.76
CCC(CC)(NC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801550	1	58	-1.0	-35.61	433.00	2.89	-32.72
CCC(CC)(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300019801551	0	54	-1.0	-47.62	425.08	1.40	-46.22
CCC(CC)(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300019801551	1	54	-1.0	-47.59	425.01	1.39	-46.20
CCC(CC)(NC(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300019801552	0	42	-1.0	-45.76	356.29	1.44	-44.32
CCC(CC)(NC(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300019801552	1	42	-1.0	-45.73	356.35	1.45	-44.28
CCC(CC)(NC(=O)C1=CC(Br)=CNC1=O)C1=N[N-]N=N1	REAL300019801553	0	35	-1.0	-47.34	298.53	2.40	-44.94
CCC(CC)(NC(=O)C1=CC(Br)=CNC1=O)C1=NN=N[N-]1	REAL300019801553	1	35	-1.0	-47.33	298.59	2.40	-44.93
CCC(CC)(NC(=O)C1=CN=C2CCCCCN12)C1=N[N-]N=N1	REAL300019801554	0	45	-1.0	-37.21	331.18	4.92	-32.29
CCC(CC)(NC(=O)C1=CN=C2CCCCCN12)C1=NN=N[N-]1	REAL300019801554	1	45	-1.0	-37.19	331.24	4.92	-32.27
CCC(CC)(NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL300019801555	0	44	-1.0	-39.01	352.67	7.21	-31.80
CCC(CC)(NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL300019801555	1	44	-1.0	-39.02	352.60	7.20	-31.82
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C1=N[N-]N=N1	REAL300019801556	0	41	-1.0	-44.99	340.12	0.86	-44.13
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C1=NN=N[N-]1	REAL300019801556	1	41	-1.0	-44.98	340.19	0.86	-44.12
CCC(CC)(NC(=O)C1=CC2=CSC=C2S1)C1=N[N-]N=N1	REAL300019801557	0	35	-1.0	-38.04	305.21	4.92	-33.12
CCC(CC)(NC(=O)C1=CC2=CSC=C2S1)C1=NN=N[N-]1	REAL300019801557	1	35	-1.0	-38.04	305.28	4.93	-33.11
CCC(CC)(NC(=O)C(C)CC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300019801558	0	47	-1.0	-34.47	353.74	6.92	-27.55
CCC(CC)(NC(=O)C(C)CC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300019801558	1	47	-1.0	-34.44	353.80	6.93	-27.51
CCC(CC)(NC(=O)C1=C(C)C=C(C(F)F)O1)C1=N[N-]N=N1	REAL300019801559	0	38	-1.0	-34.43	312.23	4.35	-30.08
CCC(CC)(NC(=O)C1=C(C)C=C(C(F)F)O1)C1=NN=N[N-]1	REAL300019801559	1	38	-1.0	-34.42	312.30	4.36	-30.06
CCC(CC)(NC(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=N[N-]N=N1	REAL300019801560	0	43	-1.0	-36.53	343.71	7.36	-29.17
CCC(CC)(NC(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=NN=N[N-]1	REAL300019801560	1	43	-1.0	-36.49	343.78	7.37	-29.12
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019801561	0	42	-1.0	-37.89	357.05	7.46	-30.43
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300019801561	1	42	-1.0	-37.91	357.11	7.46	-30.45
CCC(CC)(NC(=O)CC1=COC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL300019801562	0	44	-1.0	-38.93	349.79	6.14	-32.79
CCC(CC)(NC(=O)CC1=COC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL300019801562	1	44	-1.0	-38.93	349.85	6.15	-32.78
CCC(CC)(NC(=O)C(OC)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019801563	0	42	-1.0	-35.29	339.23	5.18	-30.11
CCC(CC)(NC(=O)C(OC)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019801563	1	42	-1.0	-35.28	339.29	5.20	-30.08
CCCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019801564	0	47	-1.0	-33.78	374.22	7.62	-26.16
CCCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019801564	1	47	-1.0	-33.84	374.29	7.63	-26.21
CCC(CC)(NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019801565	0	49	-1.0	-44.09	383.92	6.87	-37.22
CCC(CC)(NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019801565	1	49	-1.0	-44.08	383.85	6.86	-37.22
CCC(CC)(NC(=O)CN1C=CN=C1C(C)C)C1=N[N-]N=N1	REAL300019801566	0	44	-1.0	-37.88	343.09	5.00	-32.88
CCC(CC)(NC(=O)CN1C=CN=C1C(C)C)C1=NN=N[N-]1	REAL300019801566	1	44	-1.0	-37.97	343.15	5.01	-32.96
CCC(CC)(NC(=O)CN1C=C[NH+]=C1C(C)C)C1=N[N-]N=N1	REAL300019801566	1	45	0.0	-46.89	341.69	5.59	-41.30
CCC(CC)(NC(=O)CN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300019801566	1	45	0.0	-46.89	341.76	5.60	-41.29
CCC(CC)(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801567	0	55	-1.0	-38.33	416.71	2.20	-36.13
CCC(CC)(NC(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801567	1	55	-1.0	-38.34	416.78	2.22	-36.12
CCC(CC)(NC(=O)C1CN(C2CCOC2)C1)C1=N[N-]N=N1	REAL300019801568	0	45	-1.0	-34.36	338.71	0.25	-34.11
CCC(CC)(NC(=O)C1C[NH+](C2CCOC2)C1)C1=NN=N[N-]1	REAL300019801568	1	46	0.0	-55.41	342.51	3.25	-52.16
CCC(CC)(NC(=O)C1CN(C2CCOC2)C1)C1=NN=N[N-]1	REAL300019801568	1	45	-1.0	-34.35	338.77	0.26	-34.09
CCC(CC)(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019801569	0	45	-1.0	-39.03	356.46	7.50	-31.53
CCC(CC)(NC(=O)CC1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019801569	1	45	-1.0	-39.01	356.52	7.52	-31.49
CCC(CC)(NC(=O)CN1CSCCSC1)C1=N[N-]N=N1	REAL300019801570	0	42	-1.0	-35.75	334.31	3.04	-32.71
CCC(CC)(NC(=O)CN1CSCCSC1)C1=NN=N[N-]1	REAL300019801570	1	42	-1.0	-35.76	334.37	3.05	-32.71
CCC(CC)(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019801571	0	43	-1.0	-41.08	349.38	5.79	-35.29
CCC(CC)(NC(=O)CCC(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019801571	1	43	-1.0	-41.09	349.45	5.81	-35.28
CCC(CC)(NC(=O)C1=CN=C2COCCN12)C1=N[N-]N=N1	REAL300019801572	0	40	-1.0	-35.12	308.09	2.24	-32.88
CCC(CC)(NC(=O)C1=CN=C2COCCN12)C1=NN=N[N-]1	REAL300019801572	1	40	-1.0	-35.15	308.16	2.25	-32.90
CCC(CC)(NC(=O)CC1(C#N)CCOCC1)C1=N[N-]N=N1	REAL300019801573	0	43	-1.0	-40.10	324.75	2.76	-37.34
CCC(CC)(NC(=O)CC1(C#N)CCOCC1)C1=NN=N[N-]1	REAL300019801573	1	43	-1.0	-40.11	324.82	2.78	-37.33
CCC(CC)(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=N[N-]N=N1	REAL300019801574	0	51	-1.0	-42.85	395.17	5.27	-37.58
CCC(CC)(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C1=NN=N[N-]1	REAL300019801574	1	51	-1.0	-42.82	395.24	5.29	-37.53
CCC(CC)(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801575	0	56	-1.0	-45.27	403.35	2.70	-42.57
CCC(CC)(NC(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801575	1	56	-1.0	-45.27	403.43	2.71	-42.56
CCC(CC)(NC(=O)C1CC(=O)NC2CCCCC21)C1=N[N-]N=N1	REAL300019801576	0	49	-1.0	-37.57	358.90	2.87	-34.70
CCC(CC)(NC(=O)C1CC(=O)NC2CCCCC21)C1=NN=N[N-]1	REAL300019801576	1	49	-1.0	-37.60	358.97	2.88	-34.72
CCC(CC)(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019801577	0	38	-2.0	-87.66	326.77	-0.41	-88.07
CCC(CC)(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019801577	1	38	-2.0	-87.68	326.83	-0.39	-88.07
CCC(CC)(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL300019801578	0	49	0.0	-55.46	359.83	3.82	-51.64
CCC(CC)(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL300019801578	1	49	0.0	-55.46	359.77	3.81	-51.65
CCC(CC)(NC(=O)CC1=CC=C(Br)C(O)=C1)C1=N[N-]N=N1	REAL300019801579	0	39	-1.0	-37.15	331.94	2.94	-34.21
CCC(CC)(NC(=O)CC1=CC=C(Br)C(O)=C1)C1=NN=N[N-]1	REAL300019801579	1	39	-1.0	-37.14	332.00	2.95	-34.19
CCC(CC)(NC(=O)CC(O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801580	0	52	-1.0	-39.81	398.33	0.17	-39.64
CCC(CC)(NC(=O)CC(O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801580	1	52	-1.0	-39.81	398.39	0.18	-39.63
CCC(CC)(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019801581	0	41	-2.0	-84.61	347.81	0.06	-84.55
CCC(CC)(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019801581	1	41	-2.0	-84.64	347.87	0.08	-84.56
CCC(CC)(NC(=O)C1CCN1CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019801582	0	51	-1.0	-35.35	385.35	2.68	-32.67
CCC(CC)(NC(=O)C1CCN1CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019801582	1	51	-1.0	-35.38	385.41	2.70	-32.68
CCC(CC)(NC(=O)C1=CC(N2CCOCC2)=NC=N1)C1=NN=N[N-]1	REAL300019801583	0	46	-1.0	-36.66	355.33	2.51	-34.15
CCC(CC)(NC(=O)C1=CC(N2CCOCC2)=NC=N1)C1=N[N-]N=N1	REAL300019801583	1	46	-1.0	-36.63	355.26	2.50	-34.13
CCC(CC)(NC(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019801584	0	43	-1.0	-39.51	339.98	2.42	-37.09
CCC(CC)(NC(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019801584	1	43	-1.0	-39.48	339.92	2.41	-37.07
CCC(CC)(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019801584	1	42	-2.0	-97.67	336.42	3.42	-94.25
CCC(CC)(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019801584	1	42	-2.0	-97.73	336.35	3.41	-94.32
CCC(CC)(NC(=O)CN(C)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019801585	0	49	-1.0	-35.26	373.36	5.03	-30.23
CCC(CC)(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801585	1	50	0.0	-54.54	374.48	7.41	-47.13
CCC(CC)(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801585	1	50	0.0	-54.96	375.27	7.31	-47.65
CCC(CC)(NC(=O)CN(C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801585	1	49	-1.0	-35.26	373.43	5.05	-30.21
CCC(CC)(NC(=O)CC[N@H+](C)CCOCCOC)C1=N[N-]N=N1	REAL300019801586	0	54	0.0	-55.84	404.25	3.48	-52.36
CCC(CC)(NC(=O)CC[N@@H+](C)CCOCCOC)C1=N[N-]N=N1	REAL300019801586	1	54	0.0	-54.91	404.20	3.48	-51.43
CCC(CC)(NC(=O)CC[N@H+](C)CCOCCOC)C1=NN=N[N-]1	REAL300019801586	1	54	0.0	-55.84	404.31	3.50	-52.34
CCC(CC)(NC(=O)CC[N@@H+](C)CCOCCOC)C1=NN=N[N-]1	REAL300019801586	1	54	0.0	-54.93	404.26	3.49	-51.44
CCC(CC)(NC(=O)C(C)N1CSCCSC1)C1=N[N-]N=N1	REAL300019801587	0	45	-1.0	-33.45	345.39	3.21	-30.24
CCC(CC)(NC(=O)C(C)N1CSCCSC1)C1=NN=N[N-]1	REAL300019801587	1	45	-1.0	-33.43	345.46	3.22	-30.21
CCC(CC)(NC(=O)CCN1CSCCSC1)C1=N[N-]N=N1	REAL300019801588	0	45	-1.0	-35.62	354.45	3.21	-32.41
CCC(CC)(NC(=O)CCN1CSCCSC1)C1=NN=N[N-]1	REAL300019801588	1	45	-1.0	-35.61	354.51	3.22	-32.39
CCC(CC)(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=N[N-]N=N1	REAL300019801589	0	45	-1.0	-40.87	362.95	-1.49	-42.36
CCC(CC)(NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=NN=N[N-]1	REAL300019801589	1	45	-1.0	-40.82	363.02	-1.47	-42.29
CCC(CC)(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL300019801590	0	39	-1.0	-34.62	322.48	6.17	-28.45
CCC(CC)(NC(=O)C1CC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL300019801590	1	39	-1.0	-34.61	322.55	6.19	-28.42
CCC(CC)(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=N[N-]N=N1	REAL300019801591	0	40	-1.0	-38.64	332.76	4.49	-34.15
CCC(CC)(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=NN=N[N-]1	REAL300019801591	1	40	-1.0	-38.62	332.83	4.50	-34.12
CCC(CC)(NC(=O)C1CCC2=CC=CC=C2CC1)C1=N[N-]N=N1	REAL300019801592	0	48	-1.0	-35.21	353.28	7.33	-27.88
CCC(CC)(NC(=O)C1CCC2=CC=CC=C2CC1)C1=NN=N[N-]1	REAL300019801592	1	48	-1.0	-35.23	353.34	7.34	-27.89
CCC(CC)(NC(=O)CC(C1CCC1)C1CCC1)C1=N[N-]N=N1	REAL300019801593	0	51	-1.0	-34.19	365.25	7.31	-26.88
CCC(CC)(NC(=O)CC(C1CCC1)C1CCC1)C1=NN=N[N-]1	REAL300019801593	1	51	-1.0	-34.23	365.32	7.32	-26.91
CCC(CC)(NC(=O)C(C)OCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019801594	0	48	-1.0	-37.58	376.17	6.74	-30.84
CCC(CC)(NC(=O)C(C)OCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019801594	1	48	-1.0	-37.57	376.23	6.75	-30.82
CCC(CC)(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=N[N-]N=N1	REAL300019801595	0	38	-1.0	-34.74	336.21	6.47	-28.27
CCC(CC)(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C1=NN=N[N-]1	REAL300019801595	1	38	-1.0	-34.76	336.28	6.49	-28.27
CCC(CC)(NC(=O)C1C2CCCCCCC21)C1=N[N-]N=N1	REAL300019801596	0	48	-1.0	-34.51	327.35	6.12	-28.39
CCC(CC)(NC(=O)C1C2CCCCCCC21)C1=NN=N[N-]1	REAL300019801596	1	48	-1.0	-34.47	327.41	6.12	-28.35
CCC(CC)(NC(=O)C1=CC2=NN=NN2C=C1)C1=NN=N[N-]1	REAL300019801597	0	36	-1.0	-35.92	292.70	2.57	-33.35
CCC(CC)(NC(=O)C1=CC2=NN=NN2C=C1)C1=N[N-]N=N1	REAL300019801597	1	36	-1.0	-35.90	292.64	2.56	-33.34
CCC(CC)(NC(=O)C1CCC(C2CC2)CC1)C1=N[N-]N=N1	REAL300019801598	0	48	-1.0	-34.52	340.58	6.43	-28.09
CCC(CC)(NC(=O)C1CCC(C2CC2)CC1)C1=NN=N[N-]1	REAL300019801598	1	48	-1.0	-34.46	340.65	6.44	-28.02
CCC(CC)(NC(=O)C1=C2SC=CC2=NC=N1)C1=NN=N[N-]1	REAL300019801599	0	36	-1.0	-37.43	302.06	3.91	-33.52
CCC(CC)(NC(=O)C1=C2SC=CC2=NC=N1)C1=N[N-]N=N1	REAL300019801599	1	36	-1.0	-37.43	302.00	3.90	-33.53
CCCCCCCCC(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801600	0	55	-1.0	-34.03	407.15	8.11	-25.92
CCCCCCCCC(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801600	1	55	-1.0	-33.99	407.21	8.12	-25.87
CCC(CC)(NC(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019801601	0	52	-1.0	-37.12	395.77	3.73	-33.39
CCC(CC)(NC(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019801601	1	52	-1.0	-37.07	395.83	3.73	-33.34
CCC(CC)(NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801602	0	58	-1.0	-43.08	423.21	6.04	-37.04
CCC(CC)(NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801602	1	58	-1.0	-43.02	423.27	6.05	-36.97
CCC(CC)(NC(=O)C1CCC2CCCC[N@@H+]21)C1=NN=N[N-]1	REAL300019801603	0	48	0.0	-45.08	343.50	5.82	-39.26
CCC(CC)(NC(=O)C1CCC2CCCC[N@H+]21)C1=NN=N[N-]1	REAL300019801603	1	48	0.0	-46.16	336.06	5.45	-40.71
CCC(CC)(NC(=O)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)C1=NN=N[N-]1	REAL300019801604	0	46	-1.0	-47.83	376.91	5.18	-42.65
CCC(CC)(NC(=O)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)C1=N[N-]N=N1	REAL300019801604	1	46	-1.0	-47.83	376.84	5.17	-42.66
CCC(CC)(NC(=O)C=CC(=O)NCC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019801605	0	50	-1.0	-38.80	403.27	3.42	-35.38
CCC(CC)(NC(=O)C=CC(=O)NCC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019801605	1	50	-1.0	-38.83	403.33	3.44	-35.39
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1)C1=N[N-]N=N1	REAL300019801606	0	39	-1.0	-34.91	340.82	6.16	-28.75
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1)C1=NN=N[N-]1	REAL300019801606	1	39	-1.0	-34.93	340.88	6.17	-28.76
CCC(CC)(NC(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300019801607	0	43	-1.0	-37.99	349.69	5.61	-32.38
CCC(CC)(NC(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300019801607	1	43	-1.0	-37.99	349.76	5.62	-32.37
CCC(CC)(NC(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019801608	0	39	-1.0	-32.53	336.96	4.92	-27.61
CCC(CC)(NC(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019801608	1	39	-1.0	-32.48	337.03	4.92	-27.56
CCC(CC)(NC(=O)C1=CC=C(Br)C(OC)=C1)C1=N[N-]N=N1	REAL300019801609	0	39	-1.0	-33.98	325.73	4.40	-29.58
CCC(CC)(NC(=O)C1=CC=C(Br)C(OC)=C1)C1=NN=N[N-]1	REAL300019801609	1	39	-1.0	-34.03	325.80	4.42	-29.61
CCC(CC)(NC(=O)C1C2CC3=CC=CC=C3C21)C1=N[N-]N=N1	REAL300019801610	0	43	-1.0	-35.63	334.75	6.98	-28.65
CCC(CC)(NC(=O)C1C2CC3=CC=CC=C3C21)C1=NN=N[N-]1	REAL300019801610	1	43	-1.0	-35.58	334.82	6.99	-28.59
CCC(CC)(NC(=O)C1=CC=C(OC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300019801611	0	42	-1.0	-33.25	341.00	5.10	-28.15
CCC(CC)(NC(=O)C1=CC=C(OC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300019801611	1	42	-1.0	-33.29	341.07	5.11	-28.18
CCC(CC)(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=N[N-]N=N1	REAL300019801612	0	43	-1.0	-34.27	336.78	5.04	-29.23
CCC(CC)(NC(=O)C1COC2=CC(F)=CC=C2C1)C1=NN=N[N-]1	REAL300019801612	1	43	-1.0	-34.25	336.85	5.05	-29.20
CCC(CC)(NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019801613	0	41	-1.0	-43.27	340.00	0.94	-42.33
CCC(CC)(NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019801613	1	41	-1.0	-43.25	340.06	0.93	-42.32
CCC(CC)(NC(=O)C(C)OCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300019801614	0	48	-1.0	-37.75	370.13	6.80	-30.95
CCC(CC)(NC(=O)C(C)OCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300019801614	1	48	-1.0	-37.71	370.19	6.81	-30.90
CCC(CC)(NC(=O)C1=C(C)C=C(SC)O1)C1=N[N-]N=N1	REAL300019801615	0	39	-1.0	-35.51	321.18	4.33	-31.18
CCC(CC)(NC(=O)C1=C(C)C=C(SC)O1)C1=NN=N[N-]1	REAL300019801615	1	39	-1.0	-35.50	321.25	4.34	-31.16
CCC(CC)(NC(=O)C1=CC=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL300019801616	0	44	-1.0	-35.50	335.24	6.47	-29.03
CCC(CC)(NC(=O)C1=CC=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL300019801616	1	44	-1.0	-35.51	335.31	6.47	-29.04
CCC(CC)(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019801617	0	35	-1.0	-33.44	307.73	4.55	-28.89
CCC(CC)(NC(=O)C1=CSC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019801617	1	35	-1.0	-33.44	307.80	4.57	-28.87
CCC(CC)(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019801618	0	48	-1.0	-35.22	359.42	7.43	-27.79
CCC(CC)(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019801618	1	48	-1.0	-35.17	359.49	7.45	-27.72
CCC(CC)(NC(=O)C1=CN(CCCOC)N=C1)C1=NN=N[N-]1	REAL300019801619	0	45	-1.0	-39.90	356.85	3.01	-36.89
CCC(CC)(NC(=O)C1=CN(CCCOC)N=C1)C1=N[N-]N=N1	REAL300019801619	1	45	-1.0	-39.87	356.79	3.01	-36.86
CCC(CC)(NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=N[N-]N=N1	REAL300019801620	0	49	-1.0	-43.86	375.41	3.74	-40.12
CCC(CC)(NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=NN=N[N-]1	REAL300019801620	1	49	-1.0	-43.86	375.48	3.76	-40.10
CCC(CC)(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=NN=N[N-]1	REAL300019801621	0	46	-1.0	-39.40	361.47	3.21	-36.19
CCC(CC)(NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=N[N-]N=N1	REAL300019801621	1	46	-1.0	-39.38	361.41	3.20	-36.18
CCC(CC)(NC(=O)CC(C)C1=CC=NC=C1)C1=N[N-]N=N1	REAL300019801622	0	43	-1.0	-35.58	330.64	4.61	-30.97
CCC(CC)(NC(=O)CC(C)C1=CC=NC=C1)C1=NN=N[N-]1	REAL300019801622	1	43	-1.0	-35.58	330.71	4.62	-30.96
CCC(CC)(NC(=O)C1=C2C=CSC2=CN=C1)C1=NN=N[N-]1	REAL300019801623	0	37	-1.0	-36.52	303.82	3.99	-32.53
CCC(CC)(NC(=O)C1=C2C=CSC2=CN=C1)C1=N[N-]N=N1	REAL300019801623	1	37	-1.0	-36.52	303.76	3.98	-32.54
CCC(CC)(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300019801624	0	42	-1.0	-36.18	358.80	6.52	-29.66
CCC(CC)(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300019801624	1	42	-1.0	-36.13	358.87	6.53	-29.60
CCC(CC)(NC(=O)CCC1=CC=C(OC)C=C1Br)C1=N[N-]N=N1	REAL300019801625	0	45	-1.0	-36.68	368.59	5.70	-30.98
CCC(CC)(NC(=O)CCC1=CC=C(OC)C=C1Br)C1=NN=N[N-]1	REAL300019801625	1	45	-1.0	-36.66	368.66	5.71	-30.95
CCC(CC)(NC(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=NN=N[N-]1	REAL300019801626	0	44	-1.0	-42.51	352.76	4.98	-37.53
CCC(CC)(NC(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=N[N-]N=N1	REAL300019801626	1	44	-1.0	-42.46	352.69	4.98	-37.48
CCC(CC)(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1)C1=N[N-]N=N1	REAL300019801627	0	41	-1.0	-34.92	353.51	6.85	-28.07
CCC(CC)(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1)C1=NN=N[N-]1	REAL300019801627	1	41	-1.0	-34.92	353.58	6.86	-28.06
CCC(CC)(NC(=O)C1=C(Br)N=C2COCCN21)C1=N[N-]N=N1	REAL300019801628	0	40	-1.0	-35.06	326.51	2.72	-32.34
CCC(CC)(NC(=O)C1=C(Br)N=C2COCCN21)C1=NN=N[N-]1	REAL300019801628	1	40	-1.0	-35.08	326.58	2.73	-32.35
CCC(CC)(NC(=O)COCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300019801629	0	45	-1.0	-38.16	351.14	6.05	-32.11
CCC(CC)(NC(=O)COCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300019801629	1	45	-1.0	-38.15	351.20	6.06	-32.09
CCC(CC)(NC(=O)COCC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019801630	0	45	-1.0	-38.01	356.37	6.03	-31.98
CCC(CC)(NC(=O)COCC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019801630	1	45	-1.0	-37.97	356.44	6.04	-31.93
CCC(CC)(NC(=O)C1=C2SC=CC2=CC=N1)C1=NN=N[N-]1	REAL300019801631	0	37	-1.0	-40.37	306.91	4.21	-36.16
CCC(CC)(NC(=O)C1=C2SC=CC2=CC=N1)C1=N[N-]N=N1	REAL300019801631	1	37	-1.0	-40.38	306.84	4.21	-36.17
CCC(CC)(NC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)C1=N[N-]N=N1	REAL300019801632	0	46	-1.0	-36.55	367.90	5.49	-31.06
CCC(CC)(NC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)C1=NN=N[N-]1	REAL300019801632	1	46	-1.0	-36.57	367.97	5.51	-31.06
CCC(CC)(NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=N[N-]N=N1	REAL300019801633	0	44	-1.0	-48.17	327.43	3.45	-44.72
CCC(CC)(NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=NN=N[N-]1	REAL300019801633	1	44	-1.0	-48.17	327.50	3.46	-44.71
CCC(CC)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019801634	0	41	-2.0	-87.20	344.78	0.56	-86.64
CCC(CC)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019801634	1	41	-2.0	-87.19	344.71	0.55	-86.64
CCC(CC)(NC(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019801634	1	42	-1.0	-43.20	344.85	0.70	-42.50
CCC(CC)(NC(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019801634	1	42	-1.0	-43.20	344.79	0.69	-42.51
CCC(CC)(NC(=O)CN1C=CC(C(F)F)=N1)C1=N[N-]N=N1	REAL300019801635	0	38	-1.0	-42.74	315.32	3.38	-39.36
CCC(CC)(NC(=O)CN1C=CC(C(F)F)=N1)C1=NN=N[N-]1	REAL300019801635	1	38	-1.0	-42.72	315.38	3.40	-39.32
CCC(CC)(NC(=O)C1=CC=CC2=CC(=O)NC=C21)C1=NN=N[N-]1	REAL300019801636	0	41	-1.0	-37.79	322.78	3.65	-34.14
CCC(CC)(NC(=O)C1=CC=CC2=CC(=O)NC=C21)C1=N[N-]N=N1	REAL300019801636	1	41	-1.0	-37.82	322.71	3.64	-34.18
CCC(CC)(NC(=O)C1=CC(C)=CN2C=CN=C12)C1=N[N-]N=N1	REAL300019801637	0	41	-1.0	-47.40	321.72	6.32	-41.08
CCC(CC)(NC(=O)C1=CC(C)=CN2C=CN=C12)C1=NN=N[N-]1	REAL300019801637	1	41	-1.0	-47.40	321.78	6.32	-41.08
CCC(CC)(NC(=O)C1=CC=C(SC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300019801638	0	38	-1.0	-35.67	330.79	4.70	-30.97
CCC(CC)(NC(=O)C1=CC=C(SC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300019801638	1	38	-1.0	-35.63	330.72	4.69	-30.94
CCC(CC)(NC(=O)C1=CC=NC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL300019801639	0	46	-1.0	-38.28	356.69	2.91	-35.37
CCC(CC)(NC(=O)C1=CC=NC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL300019801639	1	46	-1.0	-38.23	356.63	2.90	-35.33
CCC(CC)(NC(=O)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)C1=NN=N[N-]1	REAL300019801640	0	41	-1.0	-41.30	364.95	5.93	-35.37
CCC(CC)(NC(=O)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)C1=N[N-]N=N1	REAL300019801640	1	41	-1.0	-41.29	364.88	5.93	-35.36
CCC(CC)(NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801641	0	52	-1.0	-37.74	393.05	3.25	-34.49
CCC(CC)(NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801641	1	52	-1.0	-37.72	393.12	3.26	-34.46
CCC(CC)(NC(=O)COCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019801642	0	45	-1.0	-37.95	356.38	6.04	-31.91
CCC(CC)(NC(=O)COCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019801642	1	45	-1.0	-37.95	356.44	6.05	-31.90
CCC(CC)(NC(=O)C1=CC2=C(C=C1Br)OCO2)C1=N[N-]N=N1	REAL300019801643	0	38	-1.0	-35.49	318.12	3.74	-31.75
CCC(CC)(NC(=O)C1=CC2=C(C=C1Br)OCO2)C1=NN=N[N-]1	REAL300019801643	1	38	-1.0	-35.55	318.19	3.76	-31.79
CCC(CC)(NC(=O)C1=CC(C(F)F)=CC=C1F)C1=N[N-]N=N1	REAL300019801644	0	38	-1.0	-38.27	311.75	5.50	-32.77
CCC(CC)(NC(=O)C1=CC(C(F)F)=CC=C1F)C1=NN=N[N-]1	REAL300019801644	1	38	-1.0	-38.24	311.82	5.50	-32.74
CCC(CC)(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019801645	0	49	-1.0	-43.83	373.81	5.29	-38.54
CCC(CC)(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019801645	1	49	-1.0	-43.83	373.87	5.31	-38.52
CCC(CC)(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019801646	0	42	-1.0	-37.59	343.34	5.56	-32.03
CCC(CC)(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019801646	1	42	-1.0	-37.61	343.28	5.55	-32.06
CCC(CC)(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300019801647	0	37	-1.0	-38.73	322.59	4.46	-34.27
CCC(CC)(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300019801647	1	37	-1.0	-38.74	322.52	4.44	-34.30
CCC(CC)(NC(=O)CCC1=CC(OC)=C(O)C(OC)=C1)C1=N[N-]N=N1	REAL300019801648	0	50	-1.0	-39.13	391.37	2.93	-36.20
CCC(CC)(NC(=O)CCC1=CC(OC)=C(O)C(OC)=C1)C1=NN=N[N-]1	REAL300019801648	1	50	-1.0	-39.18	391.44	2.95	-36.23
CCC(CC)(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL300019801649	0	45	-1.0	-37.89	357.80	4.38	-33.51
CCC(CC)(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL300019801649	1	45	-1.0	-37.88	357.86	4.39	-33.49
CCC(CC)(NC(=O)C1=CC=CC(OC)=C1C)C1=N[N-]N=N1	REAL300019801650	0	42	-1.0	-36.19	319.09	4.61	-31.58
CCC(CC)(NC(=O)C1=CC=CC(OC)=C1C)C1=NN=N[N-]1	REAL300019801650	1	42	-1.0	-36.19	319.16	4.61	-31.58
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019801651	0	51	-1.0	-38.21	398.16	8.09	-30.12
CCC(CC)(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019801651	1	51	-1.0	-38.21	398.10	8.10	-30.11
CCC1=CNC(=O)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019801652	0	41	-1.0	-51.05	320.09	3.19	-47.86
CCC1=CNC(=O)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019801652	1	41	-1.0	-51.06	320.15	3.20	-47.86
CCC(CC)(NC(=O)C(O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019801653	0	42	-1.0	-35.01	331.61	3.69	-31.32
CCC(CC)(NC(=O)C(O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801653	1	42	-1.0	-35.04	331.67	3.70	-31.34
CCC(CC)(NC(=O)CC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300019801654	0	44	-1.0	-36.06	343.31	6.44	-29.62
CCC(CC)(NC(=O)CC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300019801654	1	44	-1.0	-36.08	343.38	6.45	-29.63
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300019801655	0	45	-1.0	-35.63	368.99	4.86	-30.77
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300019801655	1	45	-1.0	-35.64	368.92	4.84	-30.80
CCC(CC)(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL300019801656	0	47	-1.0	-36.08	353.68	4.95	-31.13
CCC(CC)(NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL300019801656	1	47	-1.0	-36.03	353.75	4.96	-31.07
CCC(CC)(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=NN=N[N-]1	REAL300019801657	0	38	-1.0	-40.05	324.58	4.70	-35.35
CCC(CC)(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=N[N-]N=N1	REAL300019801657	1	38	-1.0	-40.07	324.52	4.69	-35.38
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300019801658	0	45	-1.0	-38.45	369.42	4.80	-33.65
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300019801658	1	45	-1.0	-38.46	369.35	4.79	-33.67
CCC(CC)(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=N[N-]N=N1	REAL300019801659	0	46	-1.0	-37.85	360.57	4.90	-32.95
CCC(CC)(NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=NN=N[N-]1	REAL300019801659	1	46	-1.0	-37.85	360.63	4.91	-32.94
CCC(CC)(NC(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019801660	0	46	-1.0	-39.79	361.92	4.95	-34.84
CCC(CC)(NC(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019801660	1	46	-1.0	-39.83	361.99	4.96	-34.87
CCC(CC)(NC(=O)C1=CC=NC2=C1CC(=O)N2)C1=N[N-]N=N1	REAL300019801661	0	39	-1.0	-35.06	310.74	2.23	-32.83
CCC(CC)(NC(=O)C1=CC=NC2=C1CC(=O)N2)C1=NN=N[N-]1	REAL300019801661	1	39	-1.0	-35.05	310.81	2.23	-32.82
CCC(CC)(NC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1)C1=NN=N[N-]1	REAL300019801662	0	41	-1.0	-38.19	343.65	5.98	-32.21
CCC(CC)(NC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1)C1=N[N-]N=N1	REAL300019801662	1	41	-1.0	-38.15	343.58	5.96	-32.19
CCC(CC)(NC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=N[N-]N=N1	REAL300019801663	0	56	-1.0	-39.25	415.69	5.72	-33.53
CCC(CC)(NC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=NN=N[N-]1	REAL300019801663	1	56	-1.0	-39.27	415.76	5.73	-33.54
CCC(CC)(NC(=O)C1=CC=C(C=CC(=O)OC)O1)C1=N[N-]N=N1	REAL300019801664	0	42	-1.0	-37.88	350.60	4.65	-33.23
CCC(CC)(NC(=O)C1=CC=C(C=CC(=O)OC)O1)C1=NN=N[N-]1	REAL300019801664	1	42	-1.0	-37.93	350.66	4.67	-33.26
CCC(CC)(NC(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019801665	0	51	-1.0	-35.64	386.48	7.96	-27.68
CCC(CC)(NC(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019801665	1	51	-1.0	-35.66	386.55	7.97	-27.69
CCC(CC)(NC(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801666	0	61	-1.0	-39.58	445.70	6.75	-32.83
CCC(CC)(NC(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801666	1	61	-1.0	-39.57	445.77	6.77	-32.80
CCN1N=CC(Cl)=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801667	0	38	-1.0	-34.24	316.63	3.48	-30.76
CCN1N=CC(Cl)=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801667	1	38	-1.0	-34.28	316.57	3.48	-30.80
CCC(CC)(NC(=O)C1=CC(C)=C(C(=O)OC)O1)C1=N[N-]N=N1	REAL300019801668	0	41	-1.0	-35.60	334.10	3.97	-31.63
CCC(CC)(NC(=O)C1=CC(C)=C(C(=O)OC)O1)C1=NN=N[N-]1	REAL300019801668	1	41	-1.0	-35.59	334.16	3.98	-31.61
CCC(CC)(NC(=O)CN1C=C(C(=O)OC)C=N1)C1=NN=N[N-]1	REAL300019801669	0	41	-1.0	-41.02	336.76	3.36	-37.66
CCC(CC)(NC(=O)CN1C=C(C(=O)OC)C=N1)C1=N[N-]N=N1	REAL300019801669	1	41	-1.0	-41.05	336.70	3.36	-37.69
CCC(CC)(NC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801670	0	60	-1.0	-33.91	438.65	4.72	-29.19
CCC(CC)(NC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801670	1	60	-1.0	-33.90	438.72	4.74	-29.16
CCC(CC)(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801671	0	51	-1.0	-39.76	385.57	3.28	-36.48
CCC(CC)(NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801671	1	51	-1.0	-39.81	385.63	3.29	-36.52
CCC(CC)(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801672	0	53	-1.0	-37.36	402.52	3.87	-33.49
CCC(CC)(NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801672	1	53	-1.0	-37.37	402.59	3.88	-33.49
CCC(CC)(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL300019801673	0	40	-1.0	-37.95	332.95	0.73	-37.22
CCC(CC)(NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL300019801673	1	40	-1.0	-37.88	333.02	0.74	-37.14
CCC(CC)(NC(=O)C1=C(C)C=C(S(N)(=O)=O)O1)C1=N[N-]N=N1	REAL300019801674	0	40	-1.0	-42.37	333.84	-1.77	-44.14
CCC(CC)(NC(=O)C1=C(C)C=C(S(N)(=O)=O)O1)C1=NN=N[N-]1	REAL300019801674	1	40	-1.0	-42.38	333.90	-1.76	-44.14
CCC(CC)(NC(=O)C1=CC(SC)=CC=C1O)C1=N[N-]N=N1	REAL300019801675	0	40	-1.0	-39.04	324.04	3.95	-35.09
CCC(CC)(NC(=O)C1=CC(SC)=CC=C1O)C1=NN=N[N-]1	REAL300019801675	1	40	-1.0	-39.07	324.10	3.95	-35.12
CCC(CC)(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019801676	0	39	-1.0	-40.34	330.09	2.92	-37.42
CCC(CC)(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019801676	1	39	-1.0	-40.32	330.15	2.93	-37.39
CCC(CC)(NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300019801677	0	52	-1.0	-39.26	406.98	9.10	-30.16
CCC(CC)(NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300019801677	1	52	-1.0	-39.24	407.04	9.11	-30.13
CCC(CC)(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019801678	0	51	-1.0	-39.69	403.91	9.75	-29.94
CCC(CC)(NC(=O)C1=CC=C2C(=C1)N=CN2C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019801678	1	51	-1.0	-39.70	403.84	9.73	-29.97
CCC(CC)(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=NN=N[N-]1	REAL300019801679	0	43	-1.0	-33.70	352.18	3.91	-29.79
CCC(CC)(NC(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C)C1=N[N-]N=N1	REAL300019801679	1	43	-1.0	-33.67	352.11	3.90	-29.77
CCC(CC)(NC(=O)C1CCC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300019801680	0	42	-1.0	-34.68	327.81	6.27	-28.41
CCC(CC)(NC(=O)C1CCC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300019801680	1	42	-1.0	-34.64	327.87	6.29	-28.35
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300019801681	0	48	-1.0	-35.91	366.82	7.67	-28.24
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300019801681	1	48	-1.0	-35.90	366.89	7.68	-28.22
CCOCCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=N1	REAL300019801682	0	45	-1.0	-36.95	357.20	3.20	-33.75
CCOCCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=N1	REAL300019801682	1	45	-1.0	-36.95	357.14	3.20	-33.75
CCC(CC)(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019801683	0	51	-1.0	-35.22	372.09	7.86	-27.36
CCC(CC)(NC(=O)C1CCCC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801683	1	51	-1.0	-35.24	372.16	7.88	-27.36
CCC(CC)(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801684	0	48	-1.0	-34.96	379.41	6.83	-28.13
CCC(CC)(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019801684	1	48	-1.0	-34.98	379.34	6.81	-28.17
CCOC1=CC=CC(C=CC(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019801685	0	46	-1.0	-36.84	361.72	5.86	-30.98
CCOC1=CC=CC(C=CC(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019801685	1	46	-1.0	-36.89	361.79	5.88	-31.01
CCC(CC)(NC(=O)C=CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019801686	0	43	-1.0	-36.76	339.80	4.94	-31.82
CCC(CC)(NC(=O)C=CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019801686	1	43	-1.0	-36.75	339.87	4.96	-31.79
CCC(CC)(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019801687	0	38	-1.0	-35.68	322.31	5.79	-29.89
CCC(CC)(NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019801687	1	38	-1.0	-35.70	322.37	5.80	-29.90
CCC(CC)(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300019801688	0	42	-1.0	-35.41	352.96	5.32	-30.09
CCC(CC)(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300019801688	1	42	-1.0	-35.40	353.02	5.33	-30.07
CCC(CC)(NC(=O)C=C(C)C1=CC=CS1)C1=N[N-]N=N1	REAL300019801689	0	39	-1.0	-34.85	318.94	5.49	-29.36
CCC(CC)(NC(=O)C=C(C)C1=CC=CS1)C1=NN=N[N-]1	REAL300019801689	1	39	-1.0	-34.87	319.00	5.51	-29.36
CCC(CC)(NC(=O)C1=C(C)N(C2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL300019801690	0	52	-1.0	-39.12	395.66	4.11	-35.01
CCC(CC)(NC(=O)C1=C(C)N(C2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL300019801690	1	52	-1.0	-39.12	395.73	4.12	-35.00
CCC(NC1=CC=CN=C1Cl)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801691	0	45	-1.0	-36.40	351.96	3.24	-33.16
CCC(NC1=CC=CN=C1Cl)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801691	1	45	-1.0	-36.42	351.89	3.22	-33.20
CCOCCOCCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801692	0	48	-1.0	-38.58	372.99	3.17	-35.41
CCOCCOCCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801692	1	48	-1.0	-38.63	373.05	3.18	-35.45
CCC(CC)(NC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300019801693	0	44	-1.0	-37.21	364.59	4.81	-32.40
CCC(CC)(NC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300019801693	1	44	-1.0	-37.23	364.65	4.83	-32.40
CCC(CC)(NC(=O)C(OC)C1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL300019801694	0	46	-1.0	-37.61	362.33	4.40	-33.21
CCC(CC)(NC(=O)C(OC)C1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL300019801694	1	46	-1.0	-37.60	362.39	4.42	-33.18
CCC(CC)(NC(=O)CCCOCCOCCOC)C1=N[N-]N=N1	REAL300019801695	0	52	-1.0	-40.23	406.61	2.53	-37.70
CCC(CC)(NC(=O)CCCOCCOCCOC)C1=NN=N[N-]1	REAL300019801695	1	52	-1.0	-40.25	406.68	2.54	-37.71
CCC(CC)(NC(=O)C1=CC2=CC(OC)=C(OC)C=C2C=C1)C1=N[N-]N=N1	REAL300019801696	0	49	-1.0	-38.46	380.30	5.94	-32.52
CCC(CC)(NC(=O)C1=CC2=CC(OC)=C(OC)C=C2C=C1)C1=NN=N[N-]1	REAL300019801696	1	49	-1.0	-38.48	380.36	5.95	-32.53
CCC(CC)(NC(=O)C1=C(C)OC(SC)=C1)C1=N[N-]N=N1	REAL300019801697	0	39	-1.0	-35.78	321.15	4.55	-31.23
CCC(CC)(NC(=O)C1=C(C)OC(SC)=C1)C1=NN=N[N-]1	REAL300019801697	1	39	-1.0	-35.74	321.21	4.55	-31.19
CCC(CC)(NC(=O)CC1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL300019801698	0	47	-1.0	-44.92	351.22	3.28	-41.64
CCC(CC)(NC(=O)CC1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL300019801698	1	47	-1.0	-44.92	351.16	3.26	-41.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL300019801699	0	48	-2.0	-104.22	384.51	5.50	-98.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL300019801699	1	48	-2.0	-104.26	384.55	5.51	-98.75
CCC(CC)(NC(=O)C1=CC(NC(C)=O)=CNC1=O)C1=N[N-]N=N1	REAL300019801700	0	42	-1.0	-58.50	336.36	0.69	-57.81
CCC(CC)(NC(=O)C1=CC(NC(C)=O)=CNC1=O)C1=NN=N[N-]1	REAL300019801700	1	42	-1.0	-58.48	336.42	0.69	-57.79
CCC(CC)(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300019801701	0	41	-2.0	-86.74	332.86	4.21	-82.53
CCC(CC)(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300019801701	1	41	-2.0	-86.76	332.80	4.19	-82.57
CCC(CC)(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300019801701	1	41	-2.0	-86.59	332.96	4.24	-82.35
CCC(CC)(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300019801701	1	41	-2.0	-86.62	332.90	4.22	-82.40
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300019801702	0	38	-2.0	-76.24	319.08	1.11	-75.13
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300019801702	1	38	-2.0	-76.25	319.02	1.09	-75.16
CCC(CC)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300019801702	1	38	-2.0	-76.22	319.15	1.11	-75.11
CCC(CC)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300019801702	1	38	-2.0	-76.22	319.09	1.09	-75.13
CCC(CC)(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300019801703	0	47	-1.0	-43.74	385.94	4.02	-39.72
CCC(CC)(NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300019801703	1	47	-1.0	-43.73	385.87	4.01	-39.72
CCC(CC)(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019801704	0	41	-1.0	-35.15	361.95	2.05	-33.10
CCC(CC)(NC(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019801704	1	41	-1.0	-35.19	361.88	2.04	-33.15
CCC(CC)(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=N[N-]N=N1	REAL300019801705	0	35	-1.0	-33.46	293.92	1.98	-31.48
CCC(CC)(NC(=O)C1=C(C(F)(F)F)C=NN1)C1=NN=N[N-]1	REAL300019801705	1	35	-1.0	-33.45	293.99	2.00	-31.45
CCC(CC)(NC(=O)CC1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL300019801706	0	41	-1.0	-38.48	327.57	4.79	-33.69
CCC(CC)(NC(=O)CC1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL300019801706	1	41	-1.0	-38.44	327.63	4.81	-33.63
CCC(CC)(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300019801707	0	41	-2.0	-80.86	334.52	-0.37	-81.23
CCC(CC)(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300019801707	1	41	-2.0	-80.86	334.58	-0.36	-81.22
CCC(CC)(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=NN=N[N-]1	REAL300019801708	0	47	-1.0	-39.70	368.94	5.47	-34.23
CCC(CC)(NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=N[N-]N=N1	REAL300019801708	1	47	-1.0	-39.67	368.88	5.45	-34.22
CCC(CC)(NC(=O)C1(C2=CC(C)=NO2)CC1)C1=N[N-]N=N1	REAL300019801709	0	41	-1.0	-35.38	325.13	4.39	-30.99
CCC(CC)(NC(=O)C1(C2=CC(C)=NO2)CC1)C1=NN=N[N-]1	REAL300019801709	1	41	-1.0	-35.37	325.19	4.41	-30.96
CCC(CC)(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL300019801710	0	49	-1.0	-35.21	372.21	4.17	-31.04
CCC(CC)(NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL300019801710	1	49	-1.0	-35.19	372.27	4.18	-31.01
CCC(CC)(NC(=O)C1CCCC2CCC[N@@H+]21)C1=NN=N[N-]1	REAL300019801711	0	48	0.0	-44.44	340.71	5.69	-38.75
CCC(CC)(NC(=O)C1CCCC2CCC[N@H+]21)C1=NN=N[N-]1	REAL300019801711	1	48	0.0	-44.36	340.61	5.70	-38.66
CCC(CC)(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300019801712	0	46	-1.0	-36.55	353.79	2.34	-34.21
CCC(CC)(NC(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300019801712	1	46	-1.0	-36.53	353.87	2.35	-34.18
CCC(CC)(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=N[N-]N=N1	REAL300019801713	0	40	-1.0	-37.65	309.87	3.92	-33.73
CCC(CC)(NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=NN=N[N-]1	REAL300019801713	1	40	-1.0	-37.67	309.94	3.93	-33.74
CCC(CC)(NC(=O)C1=C(C)NN=C1I)C1=N[N-]N=N1	REAL300019801714	0	35	-1.0	-37.12	307.90	2.22	-34.90
CCC(CC)(NC(=O)C1=C(C)NN=C1I)C1=NN=N[N-]1	REAL300019801714	1	35	-1.0	-37.08	307.97	2.23	-34.85
CCC(CC)(NC(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300019801715	0	44	-1.0	-38.58	347.65	5.63	-32.95
CCC(CC)(NC(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300019801715	1	44	-1.0	-38.57	347.72	5.64	-32.93
CCC(CC)(NC(=O)CCC1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019801716	0	43	-1.0	-38.65	345.40	0.50	-38.15
CCC(CC)(NC(=O)CCC1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019801716	1	43	-1.0	-38.66	345.46	0.51	-38.15
CCC(CC)(NC(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=N[N-]N=N1	REAL300019801717	0	53	-1.0	-37.14	405.96	1.11	-36.03
CCC(CC)(NC(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=NN=N[N-]1	REAL300019801717	1	53	-1.0	-37.22	406.02	1.13	-36.09
CCC(CC)(NC(=O)C1=CC=NC(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300019801718	0	41	-1.0	-41.02	327.88	3.14	-37.88
CCC(CC)(NC(=O)C1=CC=NC(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300019801718	1	41	-1.0	-41.00	327.82	3.13	-37.87
CCC(CC)(NC(=O)C1=CC=CC(NCC(C)(C)C)=C1C)C1=N[N-]N=N1	REAL300019801719	0	55	-1.0	-35.29	401.13	7.13	-28.16
CCC(CC)(NC(=O)C1=CC=CC(NCC(C)(C)C)=C1C)C1=NN=N[N-]1	REAL300019801719	1	55	-1.0	-35.31	401.21	7.13	-28.18
CCC(CC)(NC(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=NN=N[N-]1	REAL300019801720	0	44	-1.0	-41.16	354.47	7.53	-33.63
CCC(CC)(NC(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=N[N-]N=N1	REAL300019801720	1	44	-1.0	-41.13	354.40	7.52	-33.61
CCC(CC)(NC(=O)C1=NC=C2C(F)=CC=CN21)C1=NN=N[N-]1	REAL300019801721	0	38	-1.0	-40.53	309.67	5.04	-35.49
CCC(CC)(NC(=O)C1=NC=C2C(F)=CC=CN21)C1=N[N-]N=N1	REAL300019801721	1	38	-1.0	-40.56	309.60	5.03	-35.53
CCC(CC)(NC(=O)CC1=CNC2=CC=C(Br)C=C12)C1=N[N-]N=N1	REAL300019801722	0	42	-1.0	-39.26	353.77	5.79	-33.47
CCC(CC)(NC(=O)CC1=CNC2=CC=C(Br)C=C12)C1=NN=N[N-]1	REAL300019801722	1	42	-1.0	-39.29	353.84	5.81	-33.48
CCC(CC)(NC(=O)C=CC=C(Cl)Cl)C1=N[N-]N=N1	REAL300019801723	0	33	-1.0	-34.41	297.19	4.38	-30.03
CCC(CC)(NC(=O)C=CC=C(Cl)Cl)C1=NN=N[N-]1	REAL300019801723	1	33	-1.0	-34.43	297.25	4.39	-30.04
CCC(CC)(NC(=O)C1CCCCN(C)C1=O)C1=N[N-]N=N1	REAL300019801724	0	45	-1.0	-35.42	309.63	3.35	-32.07
CCC(CC)(NC(=O)C1CCCCN(C)C1=O)C1=NN=N[N-]1	REAL300019801724	1	45	-1.0	-35.46	309.70	3.34	-32.12
CCC(CC)(NC(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300019801725	0	43	-1.0	-37.68	351.02	4.32	-33.36
CCC(CC)(NC(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300019801725	1	43	-1.0	-37.68	351.09	4.33	-33.35
CCC(CC)(NC(=O)C1=CC2=C(CCCC2O)NC1=O)C1=N[N-]N=N1	REAL300019801726	0	46	-1.0	-50.05	348.67	0.90	-49.15
CCC(CC)(NC(=O)C1=CC2=C(CCCC2O)NC1=O)C1=NN=N[N-]1	REAL300019801726	1	46	-1.0	-50.07	348.74	0.92	-49.15
CCC(CC)(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019801727	0	44	-1.0	-40.64	354.05	4.49	-36.15
CCC(CC)(NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019801727	1	44	-1.0	-40.69	353.99	4.48	-36.21
CCC(CC)(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=N[N-]N=N1	REAL300019801728	0	40	-1.0	-38.80	336.69	0.92	-37.88
CCC(CC)(NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=NN=N[N-]1	REAL300019801728	1	40	-1.0	-38.77	336.75	0.93	-37.84
CCC(CC)(NC(=O)C1=CNN=C1I)C1=N[N-]N=N1	REAL300019801729	0	32	-1.0	-35.82	282.68	1.77	-34.05
CCC(CC)(NC(=O)C1=CNN=C1I)C1=NN=N[N-]1	REAL300019801729	1	32	-1.0	-35.81	282.74	1.79	-34.02
CCC(CC)(NC(=O)CC=CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019801730	0	45	-1.0	-36.11	356.07	7.33	-28.78
CCC(CC)(NC(=O)CC=CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801730	1	45	-1.0	-36.09	356.13	7.34	-28.75
CCC(CC)(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=N[N-]N=N1	REAL300019801731	0	38	-1.0	-37.32	320.03	-0.65	-37.97
CCC(CC)(NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=NN=N[N-]1	REAL300019801731	1	38	-1.0	-37.24	320.10	-0.65	-37.89
CCC(CC)(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=N[N-]N=N1	REAL300019801732	0	57	-1.0	-39.03	417.70	2.90	-36.13
CCC(CC)(NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C)C1=NN=N[N-]1	REAL300019801732	1	57	-1.0	-39.05	417.77	2.91	-36.14
C#CCN(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019801733	0	50	-1.0	-41.27	389.93	5.61	-35.66
C#CCN(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019801733	1	50	-1.0	-41.25	390.00	5.62	-35.63
CCC(CC)(NC(=O)CC1CCCS1(=O)=O)C1=N[N-]N=N1	REAL300019801734	0	41	-1.0	-47.58	321.72	1.51	-46.07
CCC(CC)(NC(=O)CC1CCCS1(=O)=O)C1=NN=N[N-]1	REAL300019801734	1	41	-1.0	-47.57	321.79	1.52	-46.05
CCC(CC)(NC(=O)C=CC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019801735	0	44	-1.0	-37.15	354.30	6.20	-30.95
CCC(CC)(NC(=O)C=CC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019801735	1	44	-1.0	-37.15	354.37	6.22	-30.93
CCC(CC)(NC(=O)C1=CC=C2NC=NC2=C1F)C1=N[N-]N=N1	REAL300019801736	0	38	-1.0	-45.20	306.02	4.15	-41.05
CCC(CC)(NC(=O)C1=CC=C2NC=NC2=C1F)C1=NN=N[N-]1	REAL300019801736	1	38	-1.0	-45.18	306.09	4.16	-41.02
CCC(CC)(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=NN=N[N-]1	REAL300019801737	0	42	-1.0	-42.44	336.18	4.47	-37.97
CCC(CC)(NC(=O)C1=CC=CC(N2N=NN=C2N)=C1)C1=N[N-]N=N1	REAL300019801737	1	42	-1.0	-42.45	336.12	4.47	-37.98
CCN1C(Br)=NC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801738	0	38	-1.0	-34.11	318.52	4.22	-29.89
CCN1C(Br)=NC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801738	1	38	-1.0	-34.09	318.45	4.21	-29.88
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=N[N-]N=N1	REAL300019801739	0	38	-1.0	-47.44	316.22	2.78	-44.66
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=NN=N[N-]1	REAL300019801739	1	38	-1.0	-47.43	316.29	2.78	-44.65
CCC(CC)(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019801740	0	50	-1.0	-37.41	402.13	0.80	-36.61
CCC(CC)(NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801740	1	50	-1.0	-37.42	402.19	0.82	-36.60
CCC(CC)(NC(=O)C1=CC=CN2N=NN=C12)C1=NN=N[N-]1	REAL300019801741	0	36	-1.0	-50.83	291.06	3.01	-47.82
CCC(CC)(NC(=O)C1=CC=CN2N=NN=C12)C1=N[N-]N=N1	REAL300019801741	1	36	-1.0	-50.83	291.00	3.01	-47.82
CCC(CC)(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019801742	0	38	-1.0	-37.10	323.56	5.59	-31.51
CCC(CC)(NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019801742	1	38	-1.0	-37.15	323.49	5.57	-31.58
CCC(CC)(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=N[N-]N=N1	REAL300019801743	0	54	-1.0	-37.65	419.96	3.17	-34.48
CCC(CC)(NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NN=N[N-]1	REAL300019801743	1	54	-1.0	-37.63	420.03	3.18	-34.45
CCC(CC)(NC(=O)C1=CC(I)=NN1C)C1=NN=N[N-]1	REAL300019801744	0	35	-1.0	-32.59	303.44	3.22	-29.37
CCC(CC)(NC(=O)C1=CC(I)=NN1C)C1=N[N-]N=N1	REAL300019801744	1	35	-1.0	-32.57	303.37	3.22	-29.35
CCC(CC)(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019801745	0	58	-1.0	-39.20	427.30	4.49	-34.71
CCC(CC)(NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019801745	1	58	-1.0	-39.11	427.37	4.51	-34.60
CCC(CC)(NC(=O)C(C)=CC1=CC=C(Br)O1)C1=N[N-]N=N1	REAL300019801746	0	39	-1.0	-35.58	326.73	5.37	-30.21
CCC(CC)(NC(=O)C(C)=CC1=CC=C(Br)O1)C1=NN=N[N-]1	REAL300019801746	1	39	-1.0	-35.57	326.80	5.38	-30.19
CCC(CC)(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=NN=N[N-]1	REAL300019801747	0	45	-1.0	-37.99	378.42	5.41	-32.58
CCC(CC)(NC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)C1=N[N-]N=N1	REAL300019801747	1	45	-1.0	-37.96	378.36	5.40	-32.56
CCC(CC)(NC(=O)C1=CC(C=O)=CC=C1F)C1=N[N-]N=N1	REAL300019801748	0	37	-1.0	-36.72	302.83	4.37	-32.35
CCC(CC)(NC(=O)C1=CC(C=O)=CC=C1F)C1=NN=N[N-]1	REAL300019801748	1	37	-1.0	-36.72	302.90	4.37	-32.35
CCC(CC)(NC(=O)CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300019801749	0	40	-1.0	-39.63	323.77	4.85	-34.78
CCC(CC)(NC(=O)CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300019801749	1	40	-1.0	-39.59	323.84	4.86	-34.73
CCC(CC)(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=N[N-]N=N1	REAL300019801750	0	41	-1.0	-47.85	328.31	4.36	-43.49
CCC(CC)(NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=NN=N[N-]1	REAL300019801750	1	41	-1.0	-47.86	328.38	4.36	-43.50
CCC(CC)(NC(=O)C1=CC=C(C)C(N2C(C)=CC(C=O)=C2C)=C1)C1=N[N-]N=N1	REAL300019801751	0	54	-1.0	-38.87	423.23	9.17	-29.70
CCC(CC)(NC(=O)C1=CC=C(C)C(N2C(C)=CC(C=O)=C2C)=C1)C1=NN=N[N-]1	REAL300019801751	1	54	-1.0	-38.84	423.30	9.17	-29.67
CCC(CC)(NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=N[N-]N=N1	REAL300019801752	0	51	-1.0	-38.53	400.69	8.07	-30.46
CCC(CC)(NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=NN=N[N-]1	REAL300019801752	1	51	-1.0	-38.57	400.75	8.08	-30.49
CCC(CC)(NC(=O)CC1=CC=C(N2C(C)=CC(C=O)=C2C)C=C1)C1=N[N-]N=N1	REAL300019801753	0	54	-1.0	-40.38	427.98	8.71	-31.67
CCC(CC)(NC(=O)CC1=CC=C(N2C(C)=CC(C=O)=C2C)C=C1)C1=NN=N[N-]1	REAL300019801753	1	54	-1.0	-40.35	428.04	8.73	-31.62
CCC(CC)(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=N[N-]N=N1	REAL300019801754	0	37	-1.0	-35.86	319.59	4.89	-30.97
CCC(CC)(NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=NN=N[N-]1	REAL300019801754	1	37	-1.0	-35.84	319.65	4.89	-30.95
CCC(CC)(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=NN=N[N-]1	REAL300019801755	0	42	-1.0	-43.24	333.92	-0.66	-43.90
CCC(CC)(NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=N[N-]N=N1	REAL300019801755	1	42	-1.0	-43.21	333.85	-0.67	-43.88
CCC(CC)(NC(=O)C1=CN=C2SC=CC2=C1)C1=NN=N[N-]1	REAL300019801756	0	37	-1.0	-36.79	307.86	3.92	-32.87
CCC(CC)(NC(=O)C1=CN=C2SC=CC2=C1)C1=N[N-]N=N1	REAL300019801756	1	37	-1.0	-36.78	307.80	3.91	-32.87
CCC(CC)(NC(=O)CC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL300019801757	0	34	-1.0	-34.65	290.41	3.44	-31.21
CCC(CC)(NC(=O)CC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL300019801757	1	34	-1.0	-34.66	290.47	3.45	-31.21
CCC(CC)(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NN=N[N-]1	REAL300019801758	0	37	-1.0	-35.47	318.79	3.52	-31.95
CCC(CC)(NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=N[N-]N=N1	REAL300019801758	1	37	-1.0	-35.49	318.73	3.51	-31.98
CCC(CC)(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300019801759	0	49	-1.0	-42.59	390.72	3.51	-39.08
CCC(CC)(NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300019801759	1	49	-1.0	-42.60	390.79	3.52	-39.08
CCC(CC)(NC(=O)C1=COC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019801760	0	34	-1.0	-36.46	296.48	0.23	-36.23
CCC(CC)(NC(=O)C1=COC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019801760	1	34	-1.0	-36.49	296.41	0.21	-36.28
CCC(CC)(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=NN=N[N-]1	REAL300019801761	0	37	-1.0	-37.87	323.38	3.83	-34.04
CCC(CC)(NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=N[N-]N=N1	REAL300019801761	1	37	-1.0	-37.87	323.31	3.82	-34.05
CCC(CC)(NC(=O)C1=CC(C=O)=CC=C1OC)C1=N[N-]N=N1	REAL300019801762	0	41	-1.0	-38.39	325.51	4.69	-33.70
CCC(CC)(NC(=O)C1=CC(C=O)=CC=C1OC)C1=NN=N[N-]1	REAL300019801762	1	41	-1.0	-38.34	325.58	4.69	-33.65
CCC(CC)(NC(=O)C1=CC=C(F)C(C=O)=C1)C1=N[N-]N=N1	REAL300019801763	0	37	-1.0	-36.57	303.77	4.34	-32.23
CCC(CC)(NC(=O)C1=CC=C(F)C(C=O)=C1)C1=NN=N[N-]1	REAL300019801763	1	37	-1.0	-36.60	303.84	4.35	-32.25
CCC(CC)(NC(=O)C1=CSN=C1Cl)C1=NN=N[N-]1	REAL300019801764	0	31	-1.0	-33.83	274.28	2.64	-31.19
CCC(CC)(NC(=O)C1=CSN=C1Cl)C1=N[N-]N=N1	REAL300019801764	1	31	-1.0	-33.81	274.21	2.64	-31.17
CCC(CC)(NC(=O)C1CN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL300019801765	0	40	-1.0	-40.90	326.81	-0.67	-41.57
CCC(CC)(NC(=O)C1CN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL300019801765	1	40	-1.0	-40.86	326.88	-0.66	-41.52
CCC(CC)(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019801766	0	45	-1.0	-37.09	365.93	7.40	-29.69
CCC(CC)(NC(=O)C1CC1(C)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019801766	1	45	-1.0	-37.08	365.99	7.42	-29.66
CCC(CC)(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019801767	0	48	-1.0	-38.57	384.41	6.00	-32.57
CCC(CC)(NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019801767	1	48	-1.0	-38.56	384.35	5.98	-32.58
CCC(CC)(NC(=O)C1=CC=C(OC(C)C(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300019801768	0	47	-1.0	-33.37	379.23	4.06	-29.31
CCC(CC)(NC(=O)C1=CC=C(OC(C)C(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300019801768	1	47	-1.0	-33.36	379.30	4.07	-29.29
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=N[N-]N=N1	REAL300019801769	0	46	-1.0	-35.97	345.61	4.39	-31.58
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=NN=N[N-]1	REAL300019801769	1	46	-1.0	-35.97	345.67	4.40	-31.57
CCC(CC)(NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=NN=N[N-]1	REAL300019801770	0	41	-1.0	-36.70	355.11	5.10	-31.60
CCC(CC)(NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=N[N-]N=N1	REAL300019801770	1	41	-1.0	-36.70	355.05	5.10	-31.60
CCC(CC)(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019801771	0	51	-1.0	-40.07	405.46	6.68	-33.39
CCC(CC)(NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019801771	1	51	-1.0	-40.11	405.53	6.70	-33.41
CCC(CC)(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300019801772	0	49	-1.0	-38.19	377.78	7.21	-30.98
CCC(CC)(NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300019801772	1	49	-1.0	-38.20	377.85	7.22	-30.98
CCC1=CC=C(F)C=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801773	0	41	-1.0	-35.57	315.44	5.99	-29.58
CCC1=CC=C(F)C=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801773	1	41	-1.0	-35.60	315.50	6.00	-29.60
CCC(CC)(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300019801774	0	47	-1.0	-41.13	366.80	1.06	-40.07
CCC(CC)(NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300019801774	1	47	-1.0	-41.15	366.87	1.07	-40.08
CCC(CC)(NC(=O)C1=C(COC)SC=C1)C1=N[N-]N=N1	REAL300019801775	0	39	-1.0	-36.57	316.94	3.33	-33.24
CCC(CC)(NC(=O)C1=C(COC)SC=C1)C1=NN=N[N-]1	REAL300019801775	1	39	-1.0	-36.54	317.00	3.33	-33.21
CCC(CC)(NC(=O)C1=CC=C2C=CN(C)C2=C1)C1=NN=N[N-]1	REAL300019801776	0	42	-1.0	-38.77	328.80	6.30	-32.47
CCC(CC)(NC(=O)C1=CC=C2C=CN(C)C2=C1)C1=N[N-]N=N1	REAL300019801776	1	42	-1.0	-38.79	328.73	6.30	-32.49
CCC(CC)(NC(=O)C1=CC(C(=O)OC)=NN1C)C1=NN=N[N-]1	REAL300019801777	0	41	-1.0	-36.31	331.96	2.86	-33.45
CCC(CC)(NC(=O)C1=CC(C(=O)OC)=NN1C)C1=N[N-]N=N1	REAL300019801777	1	41	-1.0	-36.34	331.91	2.84	-33.50
CCC(CC)(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C1=N[N-]N=N1	REAL300019801778	0	45	-1.0	-39.90	352.12	4.58	-35.32
CCC(CC)(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C1=NN=N[N-]1	REAL300019801778	1	45	-1.0	-39.90	352.19	4.59	-35.31
CCC(CC)(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=N[N-]N=N1	REAL300019801779	0	56	-1.0	-36.90	425.55	8.71	-28.19
CCC(CC)(NC(=O)C1=CC=C(NC2=CC=CC=C2C(C)C)C=C1)C1=NN=N[N-]1	REAL300019801779	1	56	-1.0	-36.93	425.61	8.73	-28.20
CCC(CC)(NC(=O)C1=CC=C(NC2=CC=CC=C2OC)C=C1)C1=N[N-]N=N1	REAL300019801780	0	51	-1.0	-37.01	394.19	6.16	-30.85
CCC(CC)(NC(=O)C1=CC=C(NC2=CC=CC=C2OC)C=C1)C1=NN=N[N-]1	REAL300019801780	1	51	-1.0	-37.04	394.25	6.17	-30.87
CCC(CC)(NC(=O)C=CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300019801781	0	36	-1.0	-35.17	317.63	5.34	-29.83
CCC(CC)(NC(=O)C=CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300019801781	1	36	-1.0	-35.16	317.70	5.35	-29.81
CCC(CC)(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300019801782	0	43	-1.0	-37.10	355.25	5.49	-31.61
CCC(CC)(NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300019801782	1	43	-1.0	-37.10	355.31	5.51	-31.59
CCC(CC)(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019801783	0	46	-1.0	-39.64	353.15	3.18	-36.46
CCC(CC)(NC(=O)C1=NN(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019801783	1	46	-1.0	-39.59	353.08	3.18	-36.41
CCC(CC)(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=N[N-]N=N1	REAL300019801784	0	48	-1.0	-40.91	353.95	4.94	-35.97
CCC(CC)(NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NN=N[N-]1	REAL300019801784	1	48	-1.0	-40.91	354.02	4.96	-35.95
CCC(CC)(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=N[N-]N=N1	REAL300019801785	0	43	-1.0	-36.41	348.11	7.46	-28.95
CCC(CC)(NC(=O)C1C2CC3=C(Br)C=CC=C3C21)C1=NN=N[N-]1	REAL300019801785	1	43	-1.0	-36.40	348.18	7.47	-28.93
CCC(CC)(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019801786	0	45	-1.0	-36.60	356.88	6.98	-29.62
CCC(CC)(NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019801786	1	45	-1.0	-36.63	356.95	6.99	-29.64
CCC(CC)(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019801787	0	43	-1.0	-41.25	336.06	2.80	-38.45
CCC(CC)(NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019801787	1	43	-1.0	-41.18	336.13	2.81	-38.37
CCC(CC)(NC(=O)CC1CCC(F)(F)CC1)C1=N[N-]N=N1	REAL300019801788	0	44	-1.0	-35.11	331.45	5.52	-29.59
CCC(CC)(NC(=O)CC1CCC(F)(F)CC1)C1=NN=N[N-]1	REAL300019801788	1	44	-1.0	-35.15	331.52	5.53	-29.62
CCC(CC)(NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019801789	0	41	-1.0	-41.28	341.60	4.27	-37.01
CCC(CC)(NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019801789	1	41	-1.0	-41.26	341.54	4.27	-36.99
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019801790	0	45	-1.0	-35.67	349.82	7.13	-28.54
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019801790	1	45	-1.0	-35.64	349.89	7.15	-28.49
CCC(CC)(NC(=O)C1=C(C(F)F)N=CO1)C1=N[N-]N=N1	REAL300019801791	0	34	-1.0	-37.38	282.61	0.03	-37.35
CCC(CC)(NC(=O)C1=C(C(F)F)N=CO1)C1=NN=N[N-]1	REAL300019801791	1	34	-1.0	-37.38	282.68	0.05	-37.33
CCC(CC)(NC(=O)C1=CC=CC(C#CCO)=C1)C1=N[N-]N=N1	REAL300019801792	0	41	-1.0	-40.41	336.33	3.25	-37.16
CCC(CC)(NC(=O)C1=CC=CC(C#CCO)=C1)C1=NN=N[N-]1	REAL300019801792	1	41	-1.0	-40.43	336.39	3.27	-37.16
CCC(CC)(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801793	0	49	-1.0	-36.27	374.45	-1.03	-37.30
CCC(CC)(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801793	1	49	-1.0	-36.27	374.50	-1.03	-37.30
CCC(CC)(NC(=O)C1=C(C)C(C=O)=C(C)N1)C1=N[N-]N=N1	REAL300019801794	0	41	-1.0	-36.03	321.93	3.23	-32.80
CCC(CC)(NC(=O)C1=C(C)C(C=O)=C(C)N1)C1=NN=N[N-]1	REAL300019801794	1	41	-1.0	-36.02	322.00	3.24	-32.78
CCC(CC)(NC(=O)C1=CC=C(CO)C=C1OC)C1=N[N-]N=N1	REAL300019801795	0	43	-1.0	-41.02	335.98	2.15	-38.87
CCC(CC)(NC(=O)C1=CC=C(CO)C=C1OC)C1=NN=N[N-]1	REAL300019801795	1	43	-1.0	-41.08	336.05	2.16	-38.92
CCC(CC)(NC(=O)CC1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL300019801796	0	49	-1.0	-38.14	358.17	3.44	-34.70
CCC(CC)(NC(=O)CC1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL300019801796	1	49	-1.0	-38.17	358.24	3.45	-34.72
CCC(CC)(NC(=O)C1=CC(C=O)=C(OC)C=C1OC)C1=N[N-]N=N1	REAL300019801797	0	45	-1.0	-45.10	353.66	4.10	-41.00
CCC(CC)(NC(=O)C1=CC(C=O)=C(OC)C=C1OC)C1=NN=N[N-]1	REAL300019801797	1	45	-1.0	-45.10	353.73	4.11	-40.99
CCC(CC)(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019801798	0	47	-1.0	-44.26	375.55	5.30	-38.96
CCC(CC)(NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019801798	1	47	-1.0	-44.27	375.48	5.28	-38.99
CCC(CC)(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300019801799	0	50	-1.0	-42.47	396.98	6.06	-36.41
CCC(CC)(NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300019801799	1	50	-1.0	-42.49	397.05	6.08	-36.41
CCC(CC)(NC(=O)CC(O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019801800	0	49	-1.0	-40.94	387.28	3.71	-37.23
CCC(CC)(NC(=O)CC(O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801800	1	49	-1.0	-40.96	387.34	3.72	-37.24
CCC(CC)(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=N[N-]N=N1	REAL300019801801	0	46	-1.0	-38.99	364.73	5.29	-33.70
CCC(CC)(NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=NN=N[N-]1	REAL300019801801	1	46	-1.0	-39.00	364.79	5.30	-33.70
CCC(CC)(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019801802	0	55	-1.0	-37.07	407.82	5.28	-31.79
CCC(CC)(NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019801802	1	55	-1.0	-37.12	407.88	5.29	-31.83
CCC(CC)(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019801803	0	41	-1.0	-44.55	343.69	5.81	-38.74
CCC(CC)(NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019801803	1	41	-1.0	-44.55	343.63	5.79	-38.76
CCC(CC)(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=N[N-]N=N1	REAL300019801804	0	45	-1.0	-52.68	356.37	2.77	-49.91
CCC(CC)(NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NN=N[N-]1	REAL300019801804	1	45	-1.0	-52.71	356.44	2.78	-49.93
CCC(CC)(NC(=O)C1=CN2CC(C)CCC2=N1)C1=N[N-]N=N1	REAL300019801805	0	45	-1.0	-42.37	343.98	5.19	-37.18
CCC(CC)(NC(=O)C1=CN2CC(C)CCC2=N1)C1=NN=N[N-]1	REAL300019801805	1	45	-1.0	-42.41	344.04	5.21	-37.20
CCC(CC)(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019801806	0	49	-1.0	-37.16	384.56	9.05	-28.11
CCC(CC)(NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019801806	1	49	-1.0	-37.18	384.63	9.06	-28.12
CCC(CC)(NC(=O)C=CC1=CN=C(C)S1)C1=N[N-]N=N1	REAL300019801807	0	38	-1.0	-36.47	317.65	3.62	-32.85
CCC(CC)(NC(=O)C=CC1=CN=C(C)S1)C1=NN=N[N-]1	REAL300019801807	1	38	-1.0	-36.48	317.72	3.63	-32.85
CCC(CC)(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300019801808	0	45	-1.0	-45.01	347.76	3.89	-41.12
CCC(CC)(NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300019801808	1	45	-1.0	-45.02	347.69	3.88	-41.14
CCC(CC)(NC(=O)C1=CC=NC2=CC=NN21)C1=NN=N[N-]1	REAL300019801809	0	37	-1.0	-42.36	296.24	3.68	-38.68
CCC(CC)(NC(=O)C1=CC=NC2=CC=NN21)C1=N[N-]N=N1	REAL300019801809	1	37	-1.0	-42.34	296.17	3.67	-38.67
CCC(CC)(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL300019801810	0	41	-1.0	-39.58	332.36	0.19	-39.39
CCC(CC)(NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL300019801810	1	41	-1.0	-39.58	332.30	0.17	-39.41
CCC(CC)(NC(=O)C1=NC2=CC=NN2C=C1)C1=NN=N[N-]1	REAL300019801811	0	37	-1.0	-38.97	299.75	3.53	-35.44
CCC(CC)(NC(=O)C1=NC2=CC=NN2C=C1)C1=N[N-]N=N1	REAL300019801811	1	37	-1.0	-38.94	299.68	3.52	-35.42
CCC(CC)(NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=N[N-]N=N1	REAL300019801812	0	45	-1.0	-39.83	363.40	3.74	-36.09
CCC(CC)(NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=NN=N[N-]1	REAL300019801812	1	45	-1.0	-39.84	363.46	3.76	-36.08
CCC(CC)(NC(=O)C1CC2CSCC(C1)C2=O)C1=N[N-]N=N1	REAL300019801813	0	45	-1.0	-35.93	335.13	5.02	-30.91
CCC(CC)(NC(=O)C1CC2CSCC(C1)C2=O)C1=NN=N[N-]1	REAL300019801813	1	45	-1.0	-35.90	335.20	5.04	-30.86
CCOC(=O)C1CCCN(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL300019801814	0	52	-1.0	-39.70	392.91	4.10	-35.60
CCOC(=O)C1CCCN(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL300019801814	1	52	-1.0	-39.68	392.98	4.12	-35.56
CCOC(=O)C1CCC[N@H+](CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL300019801814	1	53	0.0	-53.33	394.45	6.26	-47.07
CCOC(=O)C1CCC[N@@H+](CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL300019801814	1	53	0.0	-53.10	388.34	6.40	-46.70
CCC(C)C(C(=O)NC(CC)(CC)C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300019801815	0	50	-1.0	-36.27	384.16	6.43	-29.84
CCC(C)C(C(=O)NC(CC)(CC)C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300019801815	1	50	-1.0	-36.32	384.23	6.45	-29.87
CCC(CC)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019801816	0	55	0.0	-58.85	387.83	5.12	-53.73
CCC(CC)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019801816	1	55	0.0	-58.82	387.90	5.14	-53.68
CCC(CC)(NC(=O)C1CCC(N2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019801816	1	54	-1.0	-35.69	373.30	2.57	-33.12
CCC(CC)(NC(=O)C1CCC(N2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019801816	1	54	-1.0	-35.70	373.36	2.58	-33.12
CCC(CC)(NC(=O)C=CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300019801817	0	41	-1.0	-39.11	333.54	5.36	-33.75
CCC(CC)(NC(=O)C=CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300019801817	1	41	-1.0	-39.11	333.60	5.37	-33.74
CCC(CC)(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=N[N-]N=N1	REAL300019801818	0	37	-1.0	-41.35	307.35	4.44	-36.91
CCC(CC)(NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=NN=N[N-]1	REAL300019801818	1	37	-1.0	-41.37	307.42	4.45	-36.92
CCC(CC)(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=N[N-]N=N1	REAL300019801819	0	45	-1.0	-36.96	341.73	3.05	-33.91
CCC(CC)(NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=NN=N[N-]1	REAL300019801819	1	45	-1.0	-36.97	341.79	3.06	-33.91
CCC(CC)(NC(=O)C1=CN2CCC(C)CC2=N1)C1=N[N-]N=N1	REAL300019801820	0	45	-1.0	-42.76	343.98	5.21	-37.55
CCC(CC)(NC(=O)C1=CN2CCC(C)CC2=N1)C1=NN=N[N-]1	REAL300019801820	1	45	-1.0	-42.80	344.05	5.22	-37.58
CCC(CC)(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=NN=N[N-]1	REAL300019801821	0	49	0.0	-52.96	348.27	3.06	-49.90
CCC(CC)(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300019801821	1	49	0.0	-56.01	345.13	2.43	-53.58
CCC(CC)(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=N[N-]N=N1	REAL300019801821	1	49	0.0	-52.95	348.20	3.05	-49.90
CCC(CC)(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300019801821	1	49	0.0	-56.01	345.06	2.42	-53.59
CCC(CC)(NC(=O)C1=CC=NC(Br)=C1F)C1=NN=N[N-]1	REAL300019803202	0	34	-1.0	-34.35	295.72	3.38	-30.97
CCC(CC)(NC(=O)C1=CC=NC(Br)=C1F)C1=N[N-]N=N1	REAL300019803202	1	34	-1.0	-34.38	295.66	3.38	-31.00
CCC(CC)(NC(=O)C1=C2C=C(Br)C=CC2=NS1)C1=NN=N[N-]1	REAL300019803203	0	37	-1.0	-33.98	327.20	5.10	-28.88
CCC(CC)(NC(=O)C1=C2C=C(Br)C=CC2=NS1)C1=N[N-]N=N1	REAL300019803203	1	37	-1.0	-33.95	327.13	5.10	-28.85
CCC(CC)(NC(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019803204	0	41	-1.0	-36.36	335.85	2.50	-33.86
CCC(CC)(NC(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019803204	1	41	-1.0	-36.37	335.91	2.51	-33.86
CCC(CC)(NC(=O)CCOC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019803205	0	42	-1.0	-38.19	356.56	5.51	-32.68
CCC(CC)(NC(=O)CCOC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019803205	1	42	-1.0	-38.19	356.62	5.53	-32.66
CCC(CC)(NC(=O)C1=CSC(N=S(C)(C)=O)=N1)C1=N[N-]N=N1	REAL300019803206	0	41	-1.0	-57.45	346.33	0.74	-56.71
CCC(CC)(NC(=O)C1=CSC(N=S(C)(C)=O)=N1)C1=NN=N[N-]1	REAL300019803206	1	41	-1.0	-57.45	346.40	0.75	-56.70
CCC(CC)(NC(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019803207	0	50	-1.0	-43.95	401.30	5.65	-38.30
CCC(CC)(NC(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019803207	1	50	-1.0	-43.98	401.37	5.67	-38.31
CCC(CC)(NC(=O)CC1=CC(O)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019803208	0	39	-1.0	-36.85	332.04	3.00	-33.85
CCC(CC)(NC(=O)CC1=CC(O)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019803208	1	39	-1.0	-36.86	332.10	3.00	-33.86
CCC(CC)(NC(=O)CCCCC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300019803209	0	48	-1.0	-37.30	375.92	4.63	-32.67
CCC(CC)(NC(=O)CCCCC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300019803209	1	48	-1.0	-37.32	375.98	4.65	-32.67
CCC(CC)(NC(=O)C1=CN=C2CCCCC2=N1)C1=N[N-]N=N1	REAL300019803210	0	43	-1.0	-37.10	331.09	3.26	-33.84
CCC(CC)(NC(=O)C1=CN=C2CCCCC2=N1)C1=NN=N[N-]1	REAL300019803210	1	43	-1.0	-37.12	331.15	3.28	-33.84
CCC(CC)(NC(=O)C=CC1=NC(C)=C(C)N1)C1=N[N-]N=N1	REAL300019803211	0	42	-1.0	-39.98	334.43	3.69	-36.29
CCC(CC)(NC(=O)C=CC1=NC(C)=C(C)N1)C1=NN=N[N-]1	REAL300019803211	1	42	-1.0	-39.96	334.50	3.71	-36.25
CCC(CC)(NC(=O)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803212	0	56	-1.0	-40.71	425.74	4.81	-35.90
CCC(CC)(NC(=O)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803212	1	56	-1.0	-40.76	425.81	4.82	-35.94
CCC(CC)(NC(=O)C(=O)N=S(C)(C)=O)C1=N[N-]N=N1	REAL300019803213	0	37	-1.0	-56.39	307.65	-1.11	-57.50
CCC(CC)(NC(=O)C(=O)N=S(C)(C)=O)C1=NN=N[N-]1	REAL300019803213	1	37	-1.0	-56.44	307.71	-1.10	-57.54
CCC(CC)(NC(=O)C=CCCCCCCCO)C1=N[N-]N=N1	REAL300019803214	0	51	-1.0	-37.30	394.04	4.08	-33.22
CCC(CC)(NC(=O)C=CCCCCCCCO)C1=NN=N[N-]1	REAL300019803214	1	51	-1.0	-37.29	394.11	4.10	-33.19
CCC(CC)(NC(=O)C#CC1CCC(=O)CC1)C1=N[N-]N=N1	REAL300019803215	0	42	-1.0	-39.61	334.32	5.18	-34.43
CCC(CC)(NC(=O)C#CC1CCC(=O)CC1)C1=NN=N[N-]1	REAL300019803215	1	42	-1.0	-39.59	334.39	5.19	-34.40
CCC(CC)(NC(=O)[C@@H]1[C@@H](C(=O)OC)C1(F)F)C1=N[N-]N=N1	REAL300019803216	0	38	-1.0	-34.85	318.28	3.88	-30.97
CCC(CC)(NC(=O)[C@@H]1[C@@H](C(=O)OC)C1(F)F)C1=NN=N[N-]1	REAL300019803216	1	38	-1.0	-34.84	318.35	3.88	-30.96
CCC(CC)(NC(=O)C1C2=CNN=C2CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803217	0	53	-1.0	-39.84	406.23	3.79	-36.05
CCC(CC)(NC(=O)C1C2=CNN=C2CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803217	1	53	-1.0	-39.86	406.29	3.80	-36.06
CCC(CC)(NC(=O)C1=CN2N=C(Br)N=C2C=C1)C1=NN=N[N-]1	REAL300019803218	0	37	-1.0	-34.63	319.50	4.67	-29.96
CCC(CC)(NC(=O)C1=CN2N=C(Br)N=C2C=C1)C1=N[N-]N=N1	REAL300019803218	1	37	-1.0	-34.68	319.43	4.65	-30.03
CCC(CC)(NC(=O)C(F)C(C)C(F)(F)F)C1=N[N-]N=N1	REAL300019803219	0	37	-1.0	-32.83	301.12	3.68	-29.15
CCC(CC)(NC(=O)C(F)C(C)C(F)(F)F)C1=NN=N[N-]1	REAL300019803219	1	37	-1.0	-32.81	301.18	3.70	-29.11
CCC(CC)(NC(=O)C1=CC=C(C2(OC)COC2)C=C1)C1=N[N-]N=N1	REAL300019803220	0	47	-1.0	-35.69	356.25	3.76	-31.93
CCC(CC)(NC(=O)C1=CC=C(C2(OC)COC2)C=C1)C1=NN=N[N-]1	REAL300019803220	1	47	-1.0	-35.69	356.32	3.77	-31.92
CCC(CC)(NC(=O)CN1CC(C(F)(F)F)CCC1=O)C1=N[N-]N=N1	REAL300019803221	0	45	-1.0	-39.96	358.51	4.31	-35.65
CCC(CC)(NC(=O)CN1CC(C(F)(F)F)CCC1=O)C1=NN=N[N-]1	REAL300019803221	1	45	-1.0	-39.93	358.57	4.32	-35.61
CCC1=NC=C(Cl)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL300019803222	0	39	-1.0	-35.39	324.17	3.59	-31.80
CCC1=NC=C(Cl)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL300019803222	1	39	-1.0	-35.39	324.23	3.60	-31.79
CCC(CC)(NC(=O)C=CC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL300019803223	0	39	-1.0	-35.30	345.39	6.66	-28.64
CCC(CC)(NC(=O)C=CC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL300019803223	1	39	-1.0	-35.30	345.45	6.68	-28.62
CCC(CC)(NC(=O)C1=CC2=C(C=C(C)S2)N1)C1=NN=N[N-]1	REAL300019803224	0	39	-1.0	-34.87	320.85	4.37	-30.50
CCC(CC)(NC(=O)C1=CC2=C(C=C(C)S2)N1)C1=N[N-]N=N1	REAL300019803224	1	39	-1.0	-34.91	320.78	4.36	-30.55
CCC(CC)(NC(=O)C1=CC=C(NS(=O)(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL300019803225	0	47	-1.0	-40.90	376.12	2.42	-38.48
CCC(CC)(NC(=O)C1=CC=C(NS(=O)(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL300019803225	1	47	-1.0	-40.89	376.19	2.43	-38.46
CCC(CC)(NC(=O)C1=CC=CC(NS(=O)(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL300019803226	0	47	-1.0	-38.64	380.14	2.95	-35.69
CCC(CC)(NC(=O)C1=CC=CC(NS(=O)(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL300019803226	1	47	-1.0	-38.67	380.21	2.97	-35.70
CCC(CC)(NC(=O)C1=CC=CC(NS(=O)(=O)C(C)C)=C1)C1=N[N-]N=N1	REAL300019803227	0	49	-1.0	-38.40	390.50	2.80	-35.60
CCC(CC)(NC(=O)C1=CC=CC(NS(=O)(=O)C(C)C)=C1)C1=NN=N[N-]1	REAL300019803227	1	49	-1.0	-38.40	390.56	2.81	-35.59
CCC(CC)(NC(=O)C1=CC2=C(CC(C)(C)CC2)NC1=O)C1=N[N-]N=N1	REAL300019803228	0	51	-1.0	-48.26	376.63	4.97	-43.29
CCC(CC)(NC(=O)C1=CC2=C(CC(C)(C)CC2)NC1=O)C1=NN=N[N-]1	REAL300019803228	1	51	-1.0	-48.24	376.70	4.99	-43.25
CCC(CC)(NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=N[N-]N=N1	REAL300019803229	0	35	-2.0	-86.45	296.33	0.87	-85.58
CCC(CC)(NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=NN=N[N-]1	REAL300019803229	1	35	-2.0	-86.51	296.39	0.88	-85.63
CCC(CC)(NC(=O)C1=CC(Br)=C(F)C=C1C)C1=N[N-]N=N1	REAL300019803230	0	38	-1.0	-33.09	318.08	5.89	-27.20
CCC(CC)(NC(=O)C1=CC(Br)=C(F)C=C1C)C1=NN=N[N-]1	REAL300019803230	1	38	-1.0	-33.08	318.14	5.89	-27.19
CCC(CC)(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C1CC1)C1=N[N-]N=N1	REAL300019803231	0	59	-1.0	-36.64	435.99	6.44	-30.20
CCC(CC)(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C1CC1)C1=NN=N[N-]1	REAL300019803231	1	59	-1.0	-36.64	436.05	6.45	-30.19
CCC(CC)(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1OC)C1=N[N-]N=N1	REAL300019803232	0	59	-1.0	-37.89	435.66	5.29	-32.60
CCC(CC)(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1OC)C1=NN=N[N-]1	REAL300019803232	1	59	-1.0	-37.90	435.73	5.30	-32.60
CCC(CC)(NC(=O)C1=COC2=C1CSC2)C1=N[N-]N=N1	REAL300019803233	0	37	-1.0	-35.44	305.54	4.05	-31.39
CCC(CC)(NC(=O)C1=COC2=C1CSC2)C1=NN=N[N-]1	REAL300019803233	1	37	-1.0	-35.44	305.61	4.06	-31.38
CCC(CC)(NC(=O)C(C)CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019803234	0	56	-1.0	-34.45	413.51	8.73	-25.72
CCC(CC)(NC(=O)C(C)CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019803234	1	56	-1.0	-34.43	413.58	8.74	-25.69
CCC(CC)(NC(=O)C1=NN(C)C(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019803235	0	45	-1.0	-39.67	371.26	5.97	-33.70
CCC(CC)(NC(=O)C1=NN(C)C(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019803235	1	45	-1.0	-39.65	371.19	5.96	-33.69
CCC(CC)(NC(=O)C1=COC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL300019803236	0	41	-1.0	-37.66	325.21	5.57	-32.09
CCC(CC)(NC(=O)C1=COC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL300019803236	1	41	-1.0	-37.68	325.15	5.57	-32.11
CCC(CC)(NC(=O)C1=CC=C2SCCCC2=C1)C1=N[N-]N=N1	REAL300019803237	0	43	-1.0	-35.86	337.64	6.75	-29.11
CCC(CC)(NC(=O)C1=CC=C2SCCCC2=C1)C1=NN=N[N-]1	REAL300019803237	1	43	-1.0	-35.87	337.71	6.75	-29.12
CCC(CC)(NC(=O)C1=CC=C2SCCCCC2=C1)C1=N[N-]N=N1	REAL300019803238	0	46	-1.0	-34.78	354.68	7.36	-27.42
CCC(CC)(NC(=O)C1=CC=C2SCCCCC2=C1)C1=NN=N[N-]1	REAL300019803238	1	46	-1.0	-34.80	354.75	7.36	-27.44
CCC(CC)(NC(=O)C1=COC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL300019803239	0	41	-1.0	-37.12	325.19	5.58	-31.54
CCC(CC)(NC(=O)C1=COC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL300019803239	1	41	-1.0	-37.13	325.12	5.58	-31.55
CCC(CC)(NC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C1=N[N-]N=N1	REAL300019803240	0	43	-1.0	-46.76	332.35	-0.55	-47.31
CCC(CC)(NC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C1=NN=N[N-]1	REAL300019803240	1	43	-1.0	-46.77	332.42	-0.54	-47.31
CCC(CC)(NC(=O)C1=CC=C(CCC(=O)OC)C=C1)C1=N[N-]N=N1	REAL300019803241	0	47	-1.0	-38.58	374.18	6.68	-31.90
CCC(CC)(NC(=O)C1=CC=C(CCC(=O)OC)C=C1)C1=NN=N[N-]1	REAL300019803241	1	47	-1.0	-38.59	374.25	6.70	-31.89
CCC(CC)(NC(=O)C1=CC=C(F)C(CC=C(C)C)=C1)C1=N[N-]N=N1	REAL300019803242	0	48	-1.0	-33.70	375.91	7.87	-25.83
CCC(CC)(NC(=O)C1=CC=C(F)C(CC=C(C)C)=C1)C1=NN=N[N-]1	REAL300019803242	1	48	-1.0	-33.70	375.97	7.88	-25.82
CCC(CC)(NC(=O)CC1=C(Br)N2C=CC=CC2=N1)C1=N[N-]N=N1	REAL300019803243	0	41	-1.0	-42.52	348.01	6.02	-36.50
CCC(CC)(NC(=O)CC1=C(Br)N2C=CC=CC2=N1)C1=NN=N[N-]1	REAL300019803243	1	41	-1.0	-42.53	348.08	6.04	-36.49
CCC(CC)(NC(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=N[N-]N=N1	REAL300019803244	0	36	-1.0	-32.74	316.75	4.06	-28.68
CCC(CC)(NC(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=NN=N[N-]1	REAL300019803244	1	36	-1.0	-32.74	316.81	4.07	-28.67
CCC(CC)(NC(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL300019803245	0	42	-1.0	-42.08	342.67	4.00	-38.08
CCC(CC)(NC(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL300019803245	1	42	-1.0	-42.07	342.60	3.98	-38.09
CCC(CC)(NC(=O)CC1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300019803246	0	43	-1.0	-39.61	341.75	5.49	-34.12
CCC(CC)(NC(=O)CC1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300019803246	1	43	-1.0	-39.59	341.68	5.47	-34.12
CCC(CC)(NC(=O)C(F)(F)C1(OC)CCOCC1)C1=N[N-]N=N1	REAL300019803247	0	46	-1.0	-34.25	341.49	2.96	-31.29
CCC(CC)(NC(=O)C(F)(F)C1(OC)CCOCC1)C1=NN=N[N-]1	REAL300019803247	1	46	-1.0	-34.25	341.56	2.98	-31.27
CCC(CC)(NC(=O)CN1N=NC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019803248	0	45	-1.0	-39.11	354.61	2.76	-36.35
CCC(CC)(NC(=O)CN1N=NC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019803248	1	45	-1.0	-39.15	354.55	2.75	-36.40
CCC(CC)(NC(=O)C1=CC2=C(C=CS2)N1CC1CC1)C1=N[N-]N=N1	REAL300019803249	0	46	-1.0	-36.28	370.24	7.38	-28.90
CCC(CC)(NC(=O)C1=CC2=C(C=CS2)N1CC1CC1)C1=NN=N[N-]1	REAL300019803249	1	46	-1.0	-36.27	370.31	7.41	-28.86
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)C1=N[N-]N=N1	REAL300019803250	0	45	-1.0	-36.84	366.68	8.37	-28.47
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)C1=NN=N[N-]1	REAL300019803250	1	45	-1.0	-36.85	366.75	8.38	-28.47
CCC(CC)(NC(=O)C1=NN(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300019803251	0	39	-1.0	-45.40	323.59	4.07	-41.33
CCC(CC)(NC(=O)C1=NN(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300019803251	1	39	-1.0	-45.36	323.53	4.07	-41.29
CCC(CC)(NC(=O)C(F)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019803252	0	38	-1.0	-34.45	310.70	5.22	-29.23
CCC(CC)(NC(=O)C(F)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019803252	1	38	-1.0	-34.44	310.76	5.24	-29.20
CCC(CC)(NC(=O)C1=CC2=C(C=C(Br)S2)N1)C1=N[N-]N=N1	REAL300019803253	0	36	-1.0	-32.73	321.38	4.17	-28.56
CCC(CC)(NC(=O)C1=CC2=C(C=C(Br)S2)N1)C1=NN=N[N-]1	REAL300019803253	1	36	-1.0	-32.77	321.44	4.18	-28.59
CCC(CC)(NC(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2)C1=N[N-]N=N1	REAL300019803254	0	49	-1.0	-35.82	367.56	7.90	-27.92
CCC(CC)(NC(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2)C1=NN=N[N-]1	REAL300019803254	1	49	-1.0	-35.80	367.63	7.92	-27.88
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1Br	REAL300019803255	0	41	-1.0	-35.11	334.01	6.43	-28.68
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1Br	REAL300019803255	1	41	-1.0	-35.11	334.07	6.44	-28.67
CCCC1=C(Br)C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)S1	REAL300019803256	0	41	-1.0	-33.31	352.11	6.34	-26.97
CCCC1=C(Br)C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)S1	REAL300019803256	1	41	-1.0	-33.32	352.18	6.36	-26.96
CCC(CC)(NC(=O)C1=CC=C(SC)C(Br)=C1)C1=N[N-]N=N1	REAL300019803257	0	39	-1.0	-35.79	334.35	6.12	-29.67
CCC(CC)(NC(=O)C1=CC=C(SC)C(Br)=C1)C1=NN=N[N-]1	REAL300019803257	1	39	-1.0	-35.73	334.42	6.12	-29.61
CCC(CC)(NC(=O)C1=CC2=C(N1)C(Br)=CS2)C1=N[N-]N=N1	REAL300019803258	0	36	-1.0	-34.34	321.14	4.05	-30.29
CCC(CC)(NC(=O)C1=CC2=C(N1)C(Br)=CS2)C1=NN=N[N-]1	REAL300019803258	1	36	-1.0	-34.34	321.21	4.07	-30.27
CCC(CC)(NC(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019803259	0	45	-1.0	-37.35	354.56	5.03	-32.32
CCC(CC)(NC(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019803259	1	45	-1.0	-37.40	354.50	5.02	-32.38
CCC(CC)(NC(=O)C1=COC2=CC(F)=CC(F)=C12)C1=N[N-]N=N1	REAL300019803260	0	38	-1.0	-36.54	313.55	5.03	-31.51
CCC(CC)(NC(=O)C1=COC2=CC(F)=CC(F)=C12)C1=NN=N[N-]1	REAL300019803260	1	38	-1.0	-36.55	313.62	5.03	-31.52
CCC(CC)(NC(=O)C1=CN(CCCF)N=N1)C1=NN=N[N-]1	REAL300019803261	0	40	-1.0	-44.19	326.65	2.54	-41.65
CCC(CC)(NC(=O)C1=CN(CCCF)N=N1)C1=N[N-]N=N1	REAL300019803261	1	40	-1.0	-44.20	326.58	2.52	-41.68
CCN1C=C(OC2=CN=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)C=N2)C=N1	REAL300019803262	0	47	-1.0	-40.19	378.17	2.44	-37.75
CCN1C=C(OC2=CN=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)C=N2)C=N1	REAL300019803262	1	47	-1.0	-40.14	378.10	2.43	-37.71
CCC(CC)(NC(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=NN=N[N-]1	REAL300019803263	0	38	-1.0	-37.46	319.51	3.84	-33.62
CCC(CC)(NC(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=N[N-]N=N1	REAL300019803263	1	38	-1.0	-37.48	319.44	3.82	-33.66
CCC(CC)(NC(=O)C1=NC=C(OCC2CC2)C=C1F)C1=NN=N[N-]1	REAL300019803264	0	45	-1.0	-37.81	360.73	4.59	-33.22
CCC(CC)(NC(=O)C1=NC=C(OCC2CC2)C=C1F)C1=N[N-]N=N1	REAL300019803264	1	45	-1.0	-37.83	360.66	4.58	-33.25
CCC(CC)(NC(=O)C1=CC2=C(S1)N(C)N=C2)C1=NN=N[N-]1	REAL300019803265	0	38	-1.0	-36.73	317.61	3.54	-33.19
CCC(CC)(NC(=O)C1=CC2=C(S1)N(C)N=C2)C1=N[N-]N=N1	REAL300019803265	1	38	-1.0	-36.71	317.55	3.53	-33.18
CCC(CC)(NC(=O)C1=CN(C2=CC=CC=C2OC)C=N1)C1=NN=N[N-]1	REAL300019803266	0	46	-1.0	-43.01	367.80	6.35	-36.66
CCC(CC)(NC(=O)C1=CN(C2=CC=CC=C2OC)C=N1)C1=N[N-]N=N1	REAL300019803266	1	46	-1.0	-42.99	367.75	6.35	-36.64
CCC(CC)(NC(=O)C1=CN=C(C2CCOCC2)N=C1)C1=N[N-]N=N1	REAL300019803267	0	47	-1.0	-34.77	361.50	3.15	-31.62
CCC(CC)(NC(=O)C1=CN=C(C2CCOCC2)N=C1)C1=NN=N[N-]1	REAL300019803267	1	47	-1.0	-34.73	361.57	3.17	-31.56
CCC(CC)(NC(=O)C1=CC(C)=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL300019803268	0	41	-1.0	-35.65	332.27	6.16	-29.49
CCC(CC)(NC(=O)C1=CC(C)=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL300019803268	1	41	-1.0	-35.65	332.34	6.18	-29.47
CCC(CC)(NC(=O)C1CC2C=CCC(C2)C1)C1=N[N-]N=N1	REAL300019803269	0	46	-1.0	-35.37	292.02	5.51	-29.86
CCC(CC)(NC(=O)C1CC2C=CCC(C2)C1)C1=NN=N[N-]1	REAL300019803269	1	46	-1.0	-35.40	292.08	5.53	-29.87
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2)C(CC(C)C)=C1)C1=N[N-]N=N1	REAL300019803270	0	54	-1.0	-42.06	416.53	7.92	-34.14
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2)C(CC(C)C)=C1)C1=NN=N[N-]1	REAL300019803270	1	54	-1.0	-42.07	416.60	7.94	-34.13
CCC(CC)(NC(=O)C1=CC=C(N2CCC(C)CC2)C=C1)C1=N[N-]N=N1	REAL300019803271	0	53	-1.0	-35.07	388.63	6.42	-28.65
CCC(CC)(NC(=O)C1=CC=C(N2CCC(C)CC2)C=C1)C1=NN=N[N-]1	REAL300019803271	1	53	-1.0	-35.06	388.69	6.43	-28.63
CCC(CC)(NC(=O)CC1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL300019803272	0	37	-1.0	-36.33	309.73	3.77	-32.56
CCC(CC)(NC(=O)CC1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL300019803272	1	37	-1.0	-36.37	309.80	3.78	-32.59
CCC(CC)(NC(=O)C1=CC2=CC=C(O)C=C2N1)C1=NN=N[N-]1	REAL300019803273	0	40	-1.0	-36.22	320.69	1.54	-34.68
CCC(CC)(NC(=O)C1=CC2=CC=C(O)C=C2N1)C1=N[N-]N=N1	REAL300019803273	1	40	-1.0	-36.18	320.62	1.52	-34.66
CCC(CC)(NC(=O)C1=C2NC(C)=CC(=O)N2N=C1)C1=N[N-]N=N1	REAL300019803274	0	41	-1.0	-44.14	329.48	2.84	-41.30
CCC(CC)(NC(=O)C1=C2NC(C)=CC(=O)N2N=C1)C1=NN=N[N-]1	REAL300019803274	1	41	-1.0	-44.15	329.54	2.85	-41.30
CCC(CC)(NC(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=N[N-]N=N1	REAL300019803275	0	42	-1.0	-42.84	342.93	1.22	-41.62
CCC(CC)(NC(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=NN=N[N-]1	REAL300019803275	1	42	-1.0	-42.84	343.00	1.23	-41.61
CCC(CC)(NC(=O)C(C)C1=CC=C(OC)C(F)=C1)C1=N[N-]N=N1	REAL300019803276	0	45	-1.0	-39.17	352.15	5.04	-34.13
CCC(CC)(NC(=O)C(C)C1=CC=C(OC)C(F)=C1)C1=NN=N[N-]1	REAL300019803276	1	45	-1.0	-39.19	352.21	5.06	-34.13
CCC(CC)(NC(=O)C(OC)C1CC(F)(F)C1)C1=N[N-]N=N1	REAL300019803277	0	42	-1.0	-36.90	326.49	4.18	-32.72
CCC(CC)(NC(=O)C(OC)C1CC(F)(F)C1)C1=NN=N[N-]1	REAL300019803277	1	42	-1.0	-36.90	326.56	4.19	-32.71
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C1=N[N-]N=N1	REAL300019803278	0	45	-1.0	-34.64	371.97	5.18	-29.46
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C1=NN=N[N-]1	REAL300019803278	1	45	-1.0	-34.70	372.04	5.20	-29.50
CCC(CC)(NC(=O)C1CC(C)(C(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803279	0	50	-1.0	-34.33	344.50	5.59	-28.74
CCC(CC)(NC(=O)C1CC(C)(C(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803279	1	50	-1.0	-34.30	344.56	5.61	-28.69
CCC(CC)(NC(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL300019803280	0	41	-1.0	-38.08	342.52	2.98	-35.10
CCC(CC)(NC(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL300019803280	1	41	-1.0	-38.04	342.45	2.97	-35.07
CCC(CC)(NC(=O)COCC1=NC(C2CC2)=NO1)C1=N[N-]N=N1	REAL300019803281	0	44	-1.0	-42.16	357.93	2.47	-39.69
CCC(CC)(NC(=O)COCC1=NC(C2CC2)=NO1)C1=NN=N[N-]1	REAL300019803281	1	44	-1.0	-42.19	358.00	2.48	-39.71
CCC(CC)(NC(=O)CC1=CC=C2C(=C1)CCN2C)C1=N[N-]N=N1	REAL300019803282	0	47	-1.0	-37.17	361.27	4.97	-32.20
CCC(CC)(NC(=O)CC1=CC=C2C(=C1)CCN2C)C1=NN=N[N-]1	REAL300019803282	1	47	-1.0	-37.20	361.33	4.98	-32.22
CCC(CC)(NC(=O)CCC1=NN(C)C(C)=C1)C1=N[N-]N=N1	REAL300019803283	0	44	-1.0	-39.34	344.20	4.08	-35.26
CCC(CC)(NC(=O)CCC1=NN(C)C(C)=C1)C1=NN=N[N-]1	REAL300019803283	1	44	-1.0	-39.36	344.26	4.09	-35.27
CCC(CC)(NC(=O)CN1C=NC(Br)=C1)C1=NN=N[N-]1	REAL300019803284	0	35	-1.0	-38.66	302.33	4.80	-33.86
CCC(CC)(NC(=O)CN1C=NC(Br)=C1)C1=N[N-]N=N1	REAL300019803284	1	35	-1.0	-38.71	302.27	4.79	-33.92
CCC(CC)(NC(=O)C1=CC=C2C(=O)NCC2=C1)C1=N[N-]N=N1	REAL300019803285	0	40	-1.0	-39.83	318.10	1.92	-37.91
CCC(CC)(NC(=O)C1=CC=C2C(=O)NCC2=C1)C1=NN=N[N-]1	REAL300019803285	1	40	-1.0	-39.86	318.17	1.93	-37.93
CCC(CC)(NC(=O)C1=CC=C(NS(=O)(=O)CC)C=C1)C1=N[N-]N=N1	REAL300019803286	0	46	-1.0	-41.73	370.73	2.05	-39.68
CCC(CC)(NC(=O)C1=CC=C(NS(=O)(=O)CC)C=C1)C1=NN=N[N-]1	REAL300019803286	1	46	-1.0	-41.72	370.79	2.06	-39.66
CCC(CC)(NC(=O)C1=CC2=C(Br)C=CC=C2S1)C1=N[N-]N=N1	REAL300019803287	0	38	-1.0	-36.81	335.00	6.42	-30.39
CCC(CC)(NC(=O)C1=CC2=C(Br)C=CC=C2S1)C1=NN=N[N-]1	REAL300019803287	1	38	-1.0	-36.78	335.07	6.43	-30.35
CCC(CC)(NC(=O)C1CC(C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803288	0	58	-1.0	-36.01	420.82	6.22	-29.79
CCC(CC)(NC(=O)C1CC(C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803288	1	58	-1.0	-36.00	420.89	6.23	-29.77
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL300019803289	0	41	-1.0	-36.32	344.82	5.19	-31.13
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL300019803289	1	41	-1.0	-36.28	344.75	5.17	-31.11
CCC(CC)(NC(=O)C1=CN(CCN2CCOCC2)N=N1)C1=N[N-]N=N1	REAL300019803290	0	50	-1.0	-41.41	386.03	0.22	-41.19
CCC(CC)(NC(=O)C1=CN(CCN2CCOCC2)N=N1)C1=NN=N[N-]1	REAL300019803290	1	50	-1.0	-41.50	386.10	0.23	-41.27
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=NN=N[N-]1	REAL300019803291	0	37	-1.0	-34.87	315.96	3.75	-31.12
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=N[N-]N=N1	REAL300019803291	1	37	-1.0	-34.89	315.90	3.74	-31.15
CCC(CC)(NC(=O)C1=C2C(=NN1)N=CNC2=O)C1=NN=N[N-]1	REAL300019803292	0	37	-1.0	-44.59	299.66	2.19	-42.40
CCC(CC)(NC(=O)C1=C2C(=NN1)N=CNC2=O)C1=N[N-]N=N1	REAL300019803292	1	37	-1.0	-44.56	299.60	2.19	-42.37
CCC(CC)(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019803293	0	61	-1.0	-39.02	440.75	5.82	-33.20
CCC(CC)(NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019803293	1	61	-1.0	-39.04	440.82	5.82	-33.22
CCC(CC)(NC(=O)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803294	0	59	-1.0	-38.34	438.52	6.58	-31.76
CCC(CC)(NC(=O)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803294	1	59	-1.0	-38.30	438.59	6.60	-31.70
CCC(CC)(NC(=O)C1=COC2=C1C(O)CCC2)C1=N[N-]N=N1	REAL300019803295	0	43	-1.0	-39.92	329.14	2.97	-36.95
CCC(CC)(NC(=O)C1=COC2=C1C(O)CCC2)C1=NN=N[N-]1	REAL300019803295	1	43	-1.0	-39.91	329.21	2.98	-36.93
CCC(CC)(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)N=C1C)C1=N[N-]N=N1	REAL300019803296	0	53	-1.0	-37.79	405.47	5.41	-32.38
CCC(CC)(NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)N=C1C)C1=NN=N[N-]1	REAL300019803296	1	53	-1.0	-37.81	405.54	5.42	-32.39
CCC(CC)(NC(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=NN=N[N-]1	REAL300019803297	0	40	-1.0	-35.99	328.80	3.79	-32.20
CCC(CC)(NC(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=N[N-]N=N1	REAL300019803297	1	40	-1.0	-35.99	328.74	3.78	-32.21
CCC(CC)(NC(=O)C(O)C1CCCCCC1)C1=N[N-]N=N1	REAL300019803298	0	48	-1.0	-33.84	333.46	4.00	-29.84
CCC(CC)(NC(=O)C(O)C1CCCCCC1)C1=NN=N[N-]1	REAL300019803298	1	48	-1.0	-33.86	333.52	4.01	-29.85
CCC(CC)(NC(=O)C(O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300019803299	0	39	-1.0	-34.52	320.91	3.18	-31.34
CCC(CC)(NC(=O)C(O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL300019803299	1	39	-1.0	-34.55	320.98	3.19	-31.36
CCC(CC)(NC(=O)CC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300019803300	0	39	-1.0	-37.90	326.78	5.53	-32.37
CCC(CC)(NC(=O)CC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300019803300	1	39	-1.0	-37.91	326.85	5.54	-32.37
CCC(CC)(NC(=O)CC(C1=CC=CC=C1)C(F)F)C1=N[N-]N=N1	REAL300019803301	0	44	-1.0	-35.12	344.90	6.42	-28.70
CCC(CC)(NC(=O)CC(C1=CC=CC=C1)C(F)F)C1=NN=N[N-]1	REAL300019803301	1	44	-1.0	-35.14	344.97	6.43	-28.71
CCC(CC)(NC(=O)C1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300019803302	0	43	-1.0	-36.37	329.58	4.53	-31.84
CCC(CC)(NC(=O)C1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300019803302	1	43	-1.0	-36.34	329.65	4.54	-31.80
CCC(CC)(NC(=O)C1=CC(C)=C(Cl)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019803303	0	40	-1.0	-37.10	335.16	6.06	-31.04
CCC(CC)(NC(=O)C1=CC(C)=C(Cl)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019803303	1	40	-1.0	-37.12	335.23	6.07	-31.05
CCC(CC)(NC(=O)C1=CC(C)=NC2=C1C(=O)CCC2)C1=N[N-]N=N1	REAL300019803304	0	46	-1.0	-42.13	355.15	6.08	-36.05
CCC(CC)(NC(=O)C1=CC(C)=NC2=C1C(=O)CCC2)C1=NN=N[N-]1	REAL300019803304	1	46	-1.0	-42.10	355.21	6.09	-36.01
CCC(CC)(NC(=O)C1=CC2(C1)CCOCC2)C1=N[N-]N=N1	REAL300019803305	0	44	-1.0	-35.32	335.40	4.03	-31.29
CCC(CC)(NC(=O)C1=CC2(C1)CCOCC2)C1=NN=N[N-]1	REAL300019803305	1	44	-1.0	-35.33	335.47	4.04	-31.29
CCC(CC)(NC(=O)C(F)(F)C1=CSC(N)=N1)C1=NN=N[N-]1	REAL300019803306	0	36	-1.0	-37.75	309.36	1.84	-35.91
CCC(CC)(NC(=O)C(F)(F)C1=CSC(N)=N1)C1=N[N-]N=N1	REAL300019803306	1	36	-1.0	-37.72	309.29	1.83	-35.89
CCOCC1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CS1	REAL300019803307	0	41	-1.0	-40.51	340.56	2.17	-38.34
CCOCC1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CS1	REAL300019803307	1	41	-1.0	-40.48	340.62	2.19	-38.29
CCC(CC)(NC(=O)C1=C(C)N(C2CCOC2)N=N1)C1=N[N-]N=N1	REAL300019803308	0	45	-1.0	-44.09	348.22	1.67	-42.42
CCC(CC)(NC(=O)C1=C(C)N(C2CCOC2)N=N1)C1=NN=N[N-]1	REAL300019803308	1	45	-1.0	-44.13	348.29	1.67	-42.46
CCC(CC)(NC(=O)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)C1=N[N-]N=N1	REAL300019803309	0	51	-1.0	-37.67	395.71	7.79	-29.88
CCC(CC)(NC(=O)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)C1=NN=N[N-]1	REAL300019803309	1	51	-1.0	-37.68	395.77	7.81	-29.87
CCC(CC)(NC(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=N[N-]N=N1	REAL300019803310	0	40	-1.0	-41.92	322.32	5.13	-36.79
CCC(CC)(NC(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=NN=N[N-]1	REAL300019803310	1	40	-1.0	-41.90	322.39	5.13	-36.77
CCC(CC)(NC(=O)C1CCC2=NN=NN2C1)C1=N[N-]N=N1	REAL300019803311	0	40	-1.0	-38.61	309.87	2.16	-36.45
CCC(CC)(NC(=O)C1CCC2=NN=NN2C1)C1=NN=N[N-]1	REAL300019803311	1	40	-1.0	-38.60	309.94	2.17	-36.43
CCC(CC)(NC(=O)C1=CC2=C(C)C=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL300019803312	0	42	-1.0	-33.54	346.29	5.65	-27.89
CCC(CC)(NC(=O)C1=CC2=C(C)C=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL300019803312	1	42	-1.0	-33.57	346.36	5.65	-27.92
CCC(CC)(NC(=O)CCC1=NC(C)=C(C)N1)C1=N[N-]N=N1	REAL300019803313	0	44	-1.0	-38.69	342.95	3.72	-34.97
CCC(CC)(NC(=O)CCC1=NC(C)=C(C)N1)C1=NN=N[N-]1	REAL300019803313	1	44	-1.0	-38.72	343.02	3.74	-34.98
CCC(CC)(NC(=O)CCC1=[NH+]C(C)=C(C)N1)C1=NN=N[N-]1	REAL300019803313	1	45	0.0	-48.96	346.37	4.16	-44.80
CCC(CC)(NC(=O)CC1=CC=C(OCCCC#N)C=C1)C1=N[N-]N=N1	REAL300019803314	0	49	-1.0	-42.62	394.20	6.66	-35.96
CCC(CC)(NC(=O)CC1=CC=C(OCCCC#N)C=C1)C1=NN=N[N-]1	REAL300019803314	1	49	-1.0	-42.59	394.26	6.68	-35.91
CCC(CC)(NC(=O)C1=CC=CC(NC(=O)C2=NN(C)C=C2)=C1)C1=NN=N[N-]1	REAL300019803315	0	49	-1.0	-48.04	392.81	4.39	-43.65
CCC(CC)(NC(=O)C1=CC=CC(NC(=O)C2=NN(C)C=C2)=C1)C1=N[N-]N=N1	REAL300019803315	1	49	-1.0	-48.04	392.74	4.38	-43.66
CCC(CC)(NC(=O)CN1N=NN=C1C1CC1)C1=N[N-]N=N1	REAL300019803316	0	40	-1.0	-41.03	322.27	3.00	-38.03
CCC(CC)(NC(=O)CN1N=NN=C1C1CC1)C1=NN=N[N-]1	REAL300019803316	1	40	-1.0	-41.04	322.33	3.02	-38.02
CCC(CC)(NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1=N[N-]N=N1	REAL300019803317	0	58	-1.0	-40.15	409.87	6.19	-33.96
CCC(CC)(NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1=NN=N[N-]1	REAL300019803317	1	58	-1.0	-40.13	409.94	6.20	-33.93
CCC(CC)(NC(=O)CC1(NC(=O)OC(C)(C)C)CCSC1)C1=N[N-]N=N1	REAL300019803318	0	56	-1.0	-36.35	419.12	4.94	-31.41
CCC(CC)(NC(=O)CC1(NC(=O)OC(C)(C)C)CCSC1)C1=NN=N[N-]1	REAL300019803318	1	56	-1.0	-36.32	419.19	4.93	-31.39
CCC(CC)(NC(=O)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803319	0	58	-1.0	-35.43	424.74	6.02	-29.41
CCC(CC)(NC(=O)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803319	1	58	-1.0	-35.45	424.79	6.03	-29.42
CCC(CC)(NC(=O)CSCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803320	0	52	-1.0	-39.84	411.52	3.25	-36.59
CCC(CC)(NC(=O)CSCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803320	1	52	-1.0	-39.83	411.59	3.26	-36.57
CCC(CC)(NC(=O)C(O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019803321	0	39	-1.0	-35.11	320.01	3.28	-31.83
CCC(CC)(NC(=O)C(O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019803321	1	39	-1.0	-35.15	320.07	3.28	-31.87
CCC(CC)(NC(=O)C1=C(N)N(CCO)N=C1)C1=NN=N[N-]1	REAL300019803322	0	41	-1.0	-38.17	324.23	-1.30	-39.47
CCC(CC)(NC(=O)C1=C(N)N(CCO)N=C1)C1=N[N-]N=N1	REAL300019803322	1	41	-1.0	-38.11	324.17	-1.31	-39.42
CCC(CC)(NC(=O)CC1(N2C=NN=N2)CCSCC1)C1=NN=N[N-]1	REAL300019803323	0	47	-1.0	-45.97	354.33	4.98	-40.99
CCC(CC)(NC(=O)CC1(N2C=NN=N2)CCSCC1)C1=N[N-]N=N1	REAL300019803323	1	47	-1.0	-45.95	354.27	4.97	-40.98
CCC(CC)(NC(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL300019803324	0	39	-1.0	-40.79	322.04	1.85	-38.94
CCC(CC)(NC(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL300019803324	1	39	-1.0	-40.75	322.10	1.86	-38.89
CCC(CC)(NC(=O)C=CC1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300019803325	0	43	-1.0	-39.87	349.18	4.35	-35.52
CCC(CC)(NC(=O)C=CC1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300019803325	1	43	-1.0	-39.90	349.25	4.36	-35.54
CCC(CC)(NC(=O)C=CC1=CC2=CC=CC=C2N=C1OC)C1=N[N-]N=N1	REAL300019803326	0	48	-1.0	-39.55	382.69	4.61	-34.94
CCC(CC)(NC(=O)C=CC1=CC2=CC=CC=C2N=C1OC)C1=NN=N[N-]1	REAL300019803326	1	48	-1.0	-39.56	382.76	4.63	-34.93
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803327	0	54	-1.0	-39.45	426.04	6.34	-33.11
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803327	1	54	-1.0	-39.44	426.11	6.35	-33.09
CCC(CC)(NC(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL300019803328	0	45	-1.0	-48.97	356.22	4.01	-44.96
CCC(CC)(NC(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL300019803328	1	45	-1.0	-48.99	356.29	4.02	-44.97
CCN1C=C(Cl)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL300019803329	0	38	-1.0	-41.05	317.97	3.61	-37.44
CCN1C=C(Cl)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL300019803329	1	38	-1.0	-41.06	317.90	3.60	-37.46
CCC(CC)(NC(=O)C1=NN=C2C=CC(Br)=CN21)C1=NN=N[N-]1	REAL300019803330	0	37	-1.0	-39.79	319.65	5.34	-34.45
CCC(CC)(NC(=O)C1=NN=C2C=CC(Br)=CN21)C1=N[N-]N=N1	REAL300019803330	1	37	-1.0	-39.76	319.58	5.33	-34.43
CCC(CC)(NC(=O)C1=CC=NC(OC)=C1Br)C1=NN=N[N-]1	REAL300019803331	0	38	-1.0	-35.04	318.11	1.94	-33.10
CCC(CC)(NC(=O)C1=CC=NC(OC)=C1Br)C1=N[N-]N=N1	REAL300019803331	1	38	-1.0	-35.01	318.04	1.94	-33.07
CCC(CC)(NC(=O)C=CC1=CC(OC)=NS1)C1=N[N-]N=N1	REAL300019803332	0	39	-1.0	-35.67	330.26	1.66	-34.01
CCC(CC)(NC(=O)C=CC1=CC(OC)=NS1)C1=NN=N[N-]1	REAL300019803332	1	39	-1.0	-35.67	330.32	1.68	-33.99
CCC(CC)(NC(=O)C=CC1=CC2=C(NC1=O)N(C(C)C)N=C2)C1=N[N-]N=N1	REAL300019803333	0	51	-1.0	-46.68	402.95	5.20	-41.48
CCC(CC)(NC(=O)C=CC1=CC2=C(NC1=O)N(C(C)C)N=C2)C1=NN=N[N-]1	REAL300019803333	1	51	-1.0	-46.69	403.02	5.21	-41.48
CCC(CC)(NC(=O)C1=CC=CN2C(CC(C)C)=NN=C12)C1=N[N-]N=N1	REAL300019803334	0	49	-1.0	-55.12	376.36	7.60	-47.52
CCC(CC)(NC(=O)C1=CC=CN2C(CC(C)C)=NN=C12)C1=NN=N[N-]1	REAL300019803334	1	49	-1.0	-55.12	376.43	7.61	-47.51
CCC(CC)(NC(=O)C(F)(F)C1(OC)CCC1)C1=N[N-]N=N1	REAL300019803335	0	42	-1.0	-34.35	321.84	4.17	-30.18
CCC(CC)(NC(=O)C(F)(F)C1(OC)CCC1)C1=NN=N[N-]1	REAL300019803335	1	42	-1.0	-34.38	321.90	4.18	-30.20
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C1CCOCC1	REAL300019803336	0	48	-1.0	-35.48	340.26	4.12	-31.36
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C1CCOCC1	REAL300019803336	1	48	-1.0	-35.48	340.33	4.13	-31.35
CCC(CC)(NC(=O)C1=CSC(CC(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019803337	0	37	-1.0	-40.32	325.53	3.30	-37.02
CCC(CC)(NC(=O)C1=CSC(CC(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019803337	1	37	-1.0	-40.31	325.60	3.32	-36.99
CCC(CC)(NC(=O)CC1CC(OC(C)(C)C)C12CCC2)C1=N[N-]N=N1	REAL300019803338	0	58	-1.0	-36.49	422.13	6.98	-29.51
CCC(CC)(NC(=O)CC1CC(OC(C)(C)C)C12CCC2)C1=NN=N[N-]1	REAL300019803338	1	58	-1.0	-36.54	422.19	6.99	-29.55
CCC(CC)(NC(=O)CCC1CCC(=O)NC1)C1=N[N-]N=N1	REAL300019803339	0	45	-1.0	-39.56	339.96	2.10	-37.46
CCC(CC)(NC(=O)CCC1CCC(=O)NC1)C1=NN=N[N-]1	REAL300019803339	1	45	-1.0	-39.57	340.02	2.12	-37.45
CCC(CC)(NC(=O)CC1CSC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300019803340	0	47	-1.0	-41.71	369.19	6.19	-35.52
CCC(CC)(NC(=O)CC1CSC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300019803340	1	47	-1.0	-41.70	369.26	6.20	-35.50
CCC(CC)(NC(=O)C1=COC2=C(F)C=C(F)C=C12)C1=N[N-]N=N1	REAL300019803341	0	38	-1.0	-34.29	316.57	5.03	-29.26
CCC(CC)(NC(=O)C1=COC2=C(F)C=C(F)C=C12)C1=NN=N[N-]1	REAL300019803341	1	38	-1.0	-34.30	316.63	5.04	-29.26
CCC1=CC=CC2=CC=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)N=C21	REAL300019803342	0	46	-1.0	-41.01	361.11	6.46	-34.55
CCC1=CC=CC2=CC=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)N=C21	REAL300019803342	1	46	-1.0	-41.01	361.04	6.45	-34.56
CCC(CC)(NC(=O)C1=CC=C(C2(C(F)(F)F)CC2)C=C1)C1=N[N-]N=N1	REAL300019803343	0	45	-1.0	-36.08	362.31	7.46	-28.62
CCC(CC)(NC(=O)C1=CC=C(C2(C(F)(F)F)CC2)C=C1)C1=NN=N[N-]1	REAL300019803343	1	45	-1.0	-36.08	362.38	7.47	-28.61
CCC(CC)(NC(=O)C1=CN(C2=NC(C3CC3)=NS2)C=N1)C1=NN=N[N-]1	REAL300019803344	0	44	-1.0	-38.28	372.06	7.08	-31.20
CCC(CC)(NC(=O)C1=CN(C2=NC(C3CC3)=NS2)C=N1)C1=N[N-]N=N1	REAL300019803344	1	44	-1.0	-38.29	371.99	7.07	-31.22
CCC(CC)(NC(=O)C1CC(C)(C)C1C(F)(F)F)C1=N[N-]N=N1	REAL300019803345	0	44	-1.0	-34.08	338.08	5.39	-28.69
CCC(CC)(NC(=O)C1CC(C)(C)C1C(F)(F)F)C1=NN=N[N-]1	REAL300019803345	1	44	-1.0	-34.09	338.15	5.39	-28.70
CCC(CC)(NC(=O)C1=CC=C2C(=O)NCCC2=C1)C1=N[N-]N=N1	REAL300019803346	0	43	-1.0	-40.14	334.61	3.01	-37.13
CCC(CC)(NC(=O)C1=CC=C2C(=O)NCCC2=C1)C1=NN=N[N-]1	REAL300019803346	1	43	-1.0	-40.17	334.67	3.02	-37.15
CCC(CC)(NC(=O)C1CCC(=O)N(C(C)C)C1)C1=N[N-]N=N1	REAL300019803347	0	48	-1.0	-35.50	353.10	4.20	-31.30
CCC(CC)(NC(=O)C1CCC(=O)N(C(C)C)C1)C1=NN=N[N-]1	REAL300019803347	1	48	-1.0	-35.52	353.17	4.21	-31.31
CCC(CC)(NC(=O)C1=CC=C2CNC(=O)C2=C1)C1=N[N-]N=N1	REAL300019803348	0	40	-1.0	-43.62	317.26	2.05	-41.57
CCC(CC)(NC(=O)C1=CC=C2CNC(=O)C2=C1)C1=NN=N[N-]1	REAL300019803348	1	40	-1.0	-43.60	317.33	2.05	-41.55
CCOC(=O)C1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CS1	REAL300019803349	0	40	-1.0	-43.82	342.32	3.17	-40.65
CCOC(=O)C1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CS1	REAL300019803349	1	40	-1.0	-43.80	342.25	3.16	-40.64
CCC(CC)(NC(=O)C[C@H](C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019803350	0	47	-1.0	-34.70	374.04	7.36	-27.34
CCC(CC)(NC(=O)C[C@H](C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019803350	1	47	-1.0	-34.75	374.11	7.38	-27.37
CCC(CC)(NC(=O)C[C@H](C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019803351	0	47	-1.0	-37.39	361.36	5.01	-32.38
CCC(CC)(NC(=O)C[C@H](C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019803351	1	47	-1.0	-37.46	361.43	5.02	-32.44
CCC(CC)(NC(=O)CC1CCCC2(CCC2)O1)C1=N[N-]N=N1	REAL300019803352	0	49	-1.0	-37.35	359.35	5.77	-31.58
CCC(CC)(NC(=O)CC1CCCC2(CCC2)O1)C1=NN=N[N-]1	REAL300019803352	1	49	-1.0	-37.33	359.42	5.79	-31.54
CCC(CC)(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300019803353	0	55	-1.0	-38.84	408.40	5.20	-33.64
CCC(CC)(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300019803353	1	55	-1.0	-38.89	408.47	5.22	-33.67
CCC(CC)(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300019803354	0	55	-1.0	-38.90	411.32	4.48	-34.42
CCC(CC)(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300019803354	1	55	-1.0	-38.96	411.39	4.50	-34.46
CCC(CC)(NC(=O)C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803355	0	55	-1.0	-37.21	410.43	5.08	-32.13
CCC(CC)(NC(=O)C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803355	1	55	-1.0	-37.23	410.49	5.09	-32.14
CCC(CC)(NC(=O)CN1N=CC(Br)=C1C)C1=N[N-]N=N1	REAL300019803356	0	38	-1.0	-37.32	322.25	3.57	-33.75
CCC(CC)(NC(=O)CN1N=CC(Br)=C1C)C1=NN=N[N-]1	REAL300019803356	1	38	-1.0	-37.29	322.32	3.59	-33.70
CCC(CC)(NC(=O)C1CNC(=O)CC12CCC2)C1=N[N-]N=N1	REAL300019803357	0	46	-1.0	-38.96	337.60	2.50	-36.46
CCC(CC)(NC(=O)C1CNC(=O)CC12CCC2)C1=NN=N[N-]1	REAL300019803357	1	46	-1.0	-38.97	337.67	2.51	-36.46
CCC(CC)(NC(=O)CSC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019803358	0	39	-1.0	-36.53	338.21	6.14	-30.39
CCC(CC)(NC(=O)CSC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019803358	1	39	-1.0	-36.58	338.28	6.15	-30.43
CCC(CC)(NC(=O)C1C[C@H]2CC(OC)[C@H]2C1)C1=N[N-]N=N1	REAL300019803359	0	46	-1.0	-35.41	338.36	4.23	-31.18
CCC(CC)(NC(=O)C1C[C@H]2CC(OC)[C@H]2C1)C1=NN=N[N-]1	REAL300019803359	1	46	-1.0	-35.42	338.43	4.24	-31.18
CCC(CC)(NC(=O)CC1COCCN1CC(F)(F)F)C1=N[N-]N=N1	REAL300019803360	0	47	-1.0	-35.32	359.01	1.68	-33.64
CCC(CC)(NC(=O)CC1COCCN1CC(F)(F)F)C1=NN=N[N-]1	REAL300019803360	1	47	-1.0	-35.28	359.08	1.69	-33.59
CCC(CC)(NC(=O)C1=C2C=C(C)OC2=CC=C1)C1=NN=N[N-]1	REAL300019803361	0	41	-1.0	-38.46	322.96	5.60	-32.86
CCC(CC)(NC(=O)C1=C2C=C(C)OC2=CC=C1)C1=N[N-]N=N1	REAL300019803361	1	41	-1.0	-38.42	322.89	5.59	-32.83
C=C(F)C1(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019803362	0	56	-1.0	-41.21	423.42	5.65	-35.56
C=C(F)C1(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019803362	1	56	-1.0	-41.24	423.50	5.65	-35.59
CCC(CC)(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300019803363	0	61	-1.0	-36.91	440.32	6.34	-30.57
CCC(CC)(NC(=O)CC1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300019803363	1	61	-1.0	-36.93	440.39	6.35	-30.58
CCC(CC)(NC(=O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803364	0	58	-1.0	-36.20	420.66	5.94	-30.26
CCC(CC)(NC(=O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803364	1	58	-1.0	-36.21	420.73	5.96	-30.25
CCC(CC)(NC(=O)CC12CCC(CC1)C2(C)C)C1=N[N-]N=N1	REAL300019803365	0	51	-1.0	-33.91	352.31	6.48	-27.43
CCC(CC)(NC(=O)CC12CCC(CC1)C2(C)C)C1=NN=N[N-]1	REAL300019803365	1	51	-1.0	-33.90	352.39	6.48	-27.42
CCC(CC)(NC(=O)CN1C=C(C2CCOC2)C=N1)C1=NN=N[N-]1	REAL300019803366	0	46	-1.0	-40.15	357.77	3.24	-36.91
CCC(CC)(NC(=O)CN1C=C(C2CCOC2)C=N1)C1=N[N-]N=N1	REAL300019803366	1	46	-1.0	-40.18	357.71	3.23	-36.95
CCC(CC)(NC(=O)C1CCC2(CCC2)CC1)C1=N[N-]N=N1	REAL300019803367	0	48	-1.0	-33.61	344.70	6.44	-27.17
CCC(CC)(NC(=O)C1CCC2(CCC2)CC1)C1=NN=N[N-]1	REAL300019803367	1	48	-1.0	-33.64	344.76	6.45	-27.19
CCC1=CC2=C(OCC2)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019803368	0	46	-1.0	-40.25	352.88	6.65	-33.60
CCC1=CC2=C(OCC2)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019803368	1	46	-1.0	-40.27	352.94	6.65	-33.62
CCC(CC)(NC(=O)CCC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019803369	0	55	-1.0	-37.10	433.16	9.21	-27.89
CCC(CC)(NC(=O)CCC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019803369	1	55	-1.0	-37.13	433.23	9.22	-27.91
CCC(CC)(NC(=O)C1=C2C=CSC2=CC=C1)C1=NN=N[N-]1	REAL300019803370	0	38	-1.0	-36.17	308.56	5.78	-30.39
CCC(CC)(NC(=O)C1=C2C=CSC2=CC=C1)C1=N[N-]N=N1	REAL300019803370	1	38	-1.0	-36.18	308.50	5.76	-30.42
CCC(CC)(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1)C1=NN=N[N-]1	REAL300019803371	0	45	-1.0	-39.68	376.75	6.61	-33.07
CCC(CC)(NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1)C1=N[N-]N=N1	REAL300019803371	1	45	-1.0	-39.67	376.68	6.60	-33.07
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CS1)C1=N[N-]N=N1	REAL300019803372	0	35	-1.0	-33.41	307.06	4.58	-28.83
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CS1)C1=NN=N[N-]1	REAL300019803372	1	35	-1.0	-33.41	307.12	4.59	-28.82
CCC(CC)(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=N[N-]N=N1	REAL300019803373	0	42	-1.0	-39.66	339.51	-2.28	-41.94
CCC(CC)(NC(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=NN=N[N-]1	REAL300019803373	1	42	-1.0	-39.71	339.57	-2.27	-41.98
CCC(CC)(NC(=O)C1=CC=CC(OCC2CC2)=C1)C1=N[N-]N=N1	REAL300019803374	0	46	-1.0	-36.88	358.86	6.25	-30.63
CCC(CC)(NC(=O)C1=CC=CC(OCC2CC2)=C1)C1=NN=N[N-]1	REAL300019803374	1	46	-1.0	-36.87	358.93	6.26	-30.61
CCC(CC)(NC(=O)C1=CC=C(SC)C=C1Cl)C1=N[N-]N=N1	REAL300019803375	0	39	-1.0	-34.98	327.61	6.08	-28.90
CCC(CC)(NC(=O)C1=CC=C(SC)C=C1Cl)C1=NN=N[N-]1	REAL300019803375	1	39	-1.0	-35.01	327.68	6.09	-28.92
CCC(CC)(NC(=O)C1=CC(Cl)=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL300019803376	0	38	-1.0	-32.79	329.31	6.05	-26.74
CCC(CC)(NC(=O)C1=CC(Cl)=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL300019803376	1	38	-1.0	-32.78	329.38	6.07	-26.71
CCC(CC)(NC(=O)C1=C2SC(C(F)F)=NC2=CC=C1)C1=N[N-]N=N1	REAL300019803377	0	40	-1.0	-37.95	340.25	4.85	-33.10
CCC(CC)(NC(=O)C1=C2SC(C(F)F)=NC2=CC=C1)C1=NN=N[N-]1	REAL300019803377	1	40	-1.0	-37.97	340.32	4.87	-33.10
CCC(CC)(NC(=O)C1=CC=CC(C(C)(F)F)=C1)C1=N[N-]N=N1	REAL300019803378	0	41	-1.0	-35.68	328.25	6.08	-29.60
CCC(CC)(NC(=O)C1=CC=CC(C(C)(F)F)=C1)C1=NN=N[N-]1	REAL300019803378	1	41	-1.0	-35.73	328.32	6.08	-29.65
CCC(CC)(NC(=O)C1=CC=C2C=CSC2=C1)C1=NN=N[N-]1	REAL300019803379	0	38	-1.0	-35.89	312.01	5.93	-29.96
CCC(CC)(NC(=O)C1=CC=C2C=CSC2=C1)C1=N[N-]N=N1	REAL300019803379	1	38	-1.0	-35.88	311.94	5.93	-29.95
CCC(CC)(NC(=O)C1=CC(C)=NC(OC)=C1)C1=N[N-]N=N1	REAL300019803380	0	41	-1.0	-35.83	324.85	1.78	-34.05
CCC(CC)(NC(=O)C1=CC(C)=NC(OC)=C1)C1=NN=N[N-]1	REAL300019803380	1	41	-1.0	-35.80	324.92	1.79	-34.01
CCC(CC)(NC(=O)C1CCC2=NC(C)=NC=C2C1)C1=N[N-]N=N1	REAL300019803381	0	46	-1.0	-35.89	351.55	4.74	-31.15
CCC(CC)(NC(=O)C1CCC2=NC(C)=NC=C2C1)C1=NN=N[N-]1	REAL300019803381	1	46	-1.0	-35.94	351.61	4.76	-31.18
CCC(CC)(NC(=O)CC1=C(C)OC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019803382	0	41	-1.0	-37.22	340.42	4.99	-32.23
CCC(CC)(NC(=O)CC1=C(C)OC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019803382	1	41	-1.0	-37.25	340.48	5.00	-32.25
CCC1=NC=C2CC(C(=O)NC(CC)(CC)C3=N[N-]N=N3)CCC2=N1	REAL300019803383	0	49	-1.0	-35.90	373.13	5.36	-30.54
CCC1=NC=C2CC(C(=O)NC(CC)(CC)C3=NN=N[N-]3)CCC2=N1	REAL300019803383	1	49	-1.0	-35.90	373.20	5.38	-30.52
CCC(CC)(NC(=O)C(F)(F)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019803384	0	39	-1.0	-34.67	318.75	5.01	-29.66
CCC(CC)(NC(=O)C(F)(F)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019803384	1	39	-1.0	-34.66	318.69	5.00	-29.66
CCC(CC)(NC(=O)C1=CC=C(CN2C=C(C)C=N2)C=C1)C1=NN=N[N-]1	REAL300019803385	0	48	-1.0	-39.89	381.56	6.78	-33.11
CCC(CC)(NC(=O)C1=CC=C(CN2C=C(C)C=N2)C=C1)C1=N[N-]N=N1	REAL300019803385	1	48	-1.0	-39.87	381.50	6.76	-33.11
CCC(CC)(NC(=O)C1=COC(C(F)F)=N1)C1=N[N-]N=N1	REAL300019803386	0	34	-1.0	-41.17	289.20	0.16	-41.01
CCC(CC)(NC(=O)C1=COC(C(F)F)=N1)C1=NN=N[N-]1	REAL300019803386	1	34	-1.0	-41.21	289.27	0.16	-41.05
CCC(CC)(NC(=O)CCC1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300019803387	0	38	-1.0	-34.21	333.80	5.74	-28.47
CCC(CC)(NC(=O)CCC1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300019803387	1	38	-1.0	-34.20	333.86	5.76	-28.44
CCC(CC)(NC(=O)CC(C)(C)C(C)(F)F)C1=N[N-]N=N1	REAL300019803388	0	43	-1.0	-34.29	317.43	4.59	-29.70
CCC(CC)(NC(=O)CC(C)(C)C(C)(F)F)C1=NN=N[N-]1	REAL300019803388	1	43	-1.0	-34.28	317.49	4.60	-29.68
CCC(CC)(NC(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=NN=N[N-]1	REAL300019803389	0	49	-1.0	-41.52	370.56	5.82	-35.70
CCC(CC)(NC(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=N[N-]N=N1	REAL300019803389	1	49	-1.0	-41.50	370.49	5.81	-35.69
CCC(CC)(NC(=O)C1=CC2=C(C=C(C)S2)N1CC1CC1)C1=N[N-]N=N1	REAL300019803390	0	49	-1.0	-36.89	393.15	8.32	-28.57
CCC(CC)(NC(=O)C1=CC2=C(C=C(C)S2)N1CC1CC1)C1=NN=N[N-]1	REAL300019803390	1	49	-1.0	-36.92	393.22	8.34	-28.58
CCC(CC)(NC(=O)CCC=CBr)C1=N[N-]N=N1	REAL300019803391	0	35	-1.0	-34.00	296.27	4.17	-29.83
CCC(CC)(NC(=O)CCC=CBr)C1=NN=N[N-]1	REAL300019803391	1	35	-1.0	-34.04	296.33	4.19	-29.85
CCC(CC)(NC(=O)C(CC1CCOC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803392	0	59	-1.0	-35.87	431.55	3.22	-32.65
CCC(CC)(NC(=O)C(CC1CCOC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803392	1	59	-1.0	-35.86	431.62	3.24	-32.62
CCC(CC)(NC(=O)C(C)C1=CC(C)=CC(F)=C1)C1=N[N-]N=N1	REAL300019803393	0	44	-1.0	-36.24	343.47	6.51	-29.73
CCC(CC)(NC(=O)C(C)C1=CC(C)=CC(F)=C1)C1=NN=N[N-]1	REAL300019803393	1	44	-1.0	-36.25	343.53	6.52	-29.73
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=NC=C1OC)C1=NN=N[N-]1	REAL300019803394	0	41	-1.0	-36.93	338.29	4.25	-32.68
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=NC=C1OC)C1=N[N-]N=N1	REAL300019803394	1	41	-1.0	-36.92	338.22	4.24	-32.68
CCC(CC)(NC(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F)C1=N[N-]N=N1	REAL300019803395	0	42	-1.0	-37.10	355.54	6.31	-30.79
CCC(CC)(NC(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F)C1=NN=N[N-]1	REAL300019803395	1	42	-1.0	-37.12	355.61	6.32	-30.80
CCC(CC)(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=N[N-]N=N1	REAL300019803396	0	50	-1.0	-35.02	382.20	6.47	-28.55
CCC(CC)(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NN=N[N-]1	REAL300019803396	1	50	-1.0	-35.05	382.26	6.48	-28.57
CCC(CC)(NC(=O)CC(C1=CC=CC=C1F)C(F)F)C1=N[N-]N=N1	REAL300019803397	0	44	-1.0	-35.95	349.34	6.50	-29.45
CCC(CC)(NC(=O)CC(C1=CC=CC=C1F)C(F)F)C1=NN=N[N-]1	REAL300019803397	1	44	-1.0	-35.91	349.40	6.52	-29.39
CCC(CC)(NC(=O)C1CCCC2=CC=NN21)C1=N[N-]N=N1	REAL300019803398	0	42	-1.0	-40.20	319.47	4.13	-36.07
CCC(CC)(NC(=O)C1CCCC2=CC=NN21)C1=NN=N[N-]1	REAL300019803398	1	42	-1.0	-40.18	319.54	4.14	-36.04
CCC(CC)(NC(=O)COC1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL300019803399	0	42	-1.0	-39.10	339.37	5.85	-33.25
CCC(CC)(NC(=O)COC1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL300019803399	1	42	-1.0	-39.08	339.44	5.86	-33.22
CCC(CC)(NC(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=N[N-]N=N1	REAL300019803400	0	42	-1.0	-39.05	334.89	6.76	-32.29
CCC(CC)(NC(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=NN=N[N-]1	REAL300019803400	1	42	-1.0	-39.05	334.96	6.77	-32.28
CCC(CC)(NC(=O)C1=CN=C2CCCC2=C1)C1=N[N-]N=N1	REAL300019803401	0	41	-1.0	-36.97	316.40	4.52	-32.45
CCC(CC)(NC(=O)C1=CN=C2CCCC2=C1)C1=NN=N[N-]1	REAL300019803401	1	41	-1.0	-36.99	316.47	4.53	-32.46
CCC(CC)(NC(=O)C1=CN=C(C2CC2)N=C1C)C1=N[N-]N=N1	REAL300019803402	0	43	-1.0	-34.14	334.65	4.76	-29.38
CCC(CC)(NC(=O)C1=CN=C(C2CC2)N=C1C)C1=NN=N[N-]1	REAL300019803402	1	43	-1.0	-34.16	334.71	4.77	-29.39
CCOC1=C2C=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)SC2=NC=C1	REAL300019803403	0	44	-1.0	-40.14	361.26	4.23	-35.91
CCOC1=C2C=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)SC2=NC=C1	REAL300019803403	1	44	-1.0	-40.16	361.19	4.21	-35.95
CCC(CC)(NC(=O)CCC1=NN=C(C)N1C)C1=N[N-]N=N1	REAL300019803404	0	43	-1.0	-42.55	337.30	4.76	-37.79
CCC(CC)(NC(=O)CCC1=NN=C(C)N1C)C1=NN=N[N-]1	REAL300019803404	1	43	-1.0	-42.55	337.37	4.77	-37.78
CCC1=NC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C(C)=N1	REAL300019803405	0	42	-1.0	-33.52	324.81	3.79	-29.73
CCC1=NC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C(C)=N1	REAL300019803405	1	42	-1.0	-33.53	324.87	3.80	-29.73
CCC(CC)(NC(=O)C1=CN=C(C2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL300019803406	0	50	-1.0	-34.44	377.19	3.90	-30.54
CCC(CC)(NC(=O)C1=CN=C(C2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL300019803406	1	50	-1.0	-34.40	377.25	3.91	-30.49
CCC(CC)(NC(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=N[N-]N=N1	REAL300019803407	0	46	-1.0	-35.13	325.59	3.81	-31.32
CCC(CC)(NC(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=NN=N[N-]1	REAL300019803407	1	46	-1.0	-35.10	325.65	3.82	-31.28
CCC(CC)(NC(=O)C1CC2CC1C1C2C1(F)F)C1=N[N-]N=N1	REAL300019803408	0	43	-1.0	-34.51	319.19	5.69	-28.82
CCC(CC)(NC(=O)C1CC2CC1C1C2C1(F)F)C1=NN=N[N-]1	REAL300019803408	1	43	-1.0	-34.52	319.25	5.69	-28.83
CCC(CC)(NC(=O)C1C2CC1(C1=CN=CS1)CC2)C1=NN=N[N-]1	REAL300019803409	0	45	-1.0	-36.93	343.40	5.25	-31.68
CCC(CC)(NC(=O)C1C2CC1(C1=CN=CS1)CC2)C1=N[N-]N=N1	REAL300019803409	1	45	-1.0	-36.88	343.34	5.25	-31.63
CCC(CC)(NC(=O)C1CCC2(CC1)COCCO2)C1=N[N-]N=N1	REAL300019803410	0	50	-1.0	-36.68	360.42	3.72	-32.96
CCC(CC)(NC(=O)C1CCC2(CC1)COCCO2)C1=NN=N[N-]1	REAL300019803410	1	50	-1.0	-36.69	360.49	3.74	-32.95
CCC(CC)(NC(=O)C1=CC=NC2=NC=CN=C12)C1=NN=N[N-]1	REAL300019803411	0	38	-1.0	-42.28	305.28	2.38	-39.90
CCC(CC)(NC(=O)C1=CC=NC2=NC=CN=C12)C1=N[N-]N=N1	REAL300019803411	1	38	-1.0	-42.26	305.22	2.37	-39.89
CCC(CC)(NC(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL300019803412	0	38	-1.0	-38.09	330.47	5.55	-32.54
CCC(CC)(NC(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL300019803412	1	38	-1.0	-38.07	330.53	5.56	-32.51
CCC(CC)(NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019803413	0	61	-1.0	-37.86	446.24	5.34	-32.52
CCC(CC)(NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019803413	1	61	-1.0	-37.85	446.30	5.34	-32.51
CCC(CC)(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=N[N-]N=N1	REAL300019803414	0	46	-1.0	-36.35	358.87	7.10	-29.25
CCC(CC)(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=NN=N[N-]1	REAL300019803414	1	46	-1.0	-36.33	358.94	7.11	-29.22
CCC(CC)(NC(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL300019803415	0	41	-1.0	-46.61	337.22	-2.44	-49.05
CCC(CC)(NC(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL300019803415	1	41	-1.0	-46.62	337.15	-2.45	-49.07
CCC(CC)(NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=N[N-]N=N1	REAL300019803416	0	42	-1.0	-36.21	318.25	5.41	-30.80
CCC(CC)(NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=NN=N[N-]1	REAL300019803416	1	42	-1.0	-36.26	318.31	5.42	-30.84
CCC(CC)(NC(=O)C1=CC2=C(CCCNC2=O)O1)C1=N[N-]N=N1	REAL300019803417	0	43	-1.0	-40.57	337.63	1.77	-38.80
CCC(CC)(NC(=O)C1=CC2=C(CCCNC2=O)O1)C1=NN=N[N-]1	REAL300019803417	1	43	-1.0	-40.56	337.69	1.79	-38.77
CCC(CC)(NC(=O)C1=C2C=C(F)C=CC2=NN1)C1=NN=N[N-]1	REAL300019803418	0	38	-1.0	-34.94	309.35	3.21	-31.73
CCC(CC)(NC(=O)C1=C2C=C(F)C=CC2=NN1)C1=N[N-]N=N1	REAL300019803418	1	38	-1.0	-34.97	309.29	3.20	-31.77
CCC(CC)(NC(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300019803419	0	39	-1.0	-34.83	321.78	3.31	-31.52
CCC(CC)(NC(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300019803419	1	39	-1.0	-34.82	321.85	3.32	-31.50
CCC(CC)(NC(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019803420	0	39	-1.0	-35.58	326.31	3.34	-32.24
CCC(CC)(NC(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019803420	1	39	-1.0	-35.66	326.37	3.35	-32.31
CCC1=NN(C)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1Cl	REAL300019803421	0	41	-1.0	-34.52	337.20	3.91	-30.61
CCC1=NN(C)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1Cl	REAL300019803421	1	41	-1.0	-34.48	337.27	3.91	-30.57
CCC(CC)(NC(=O)CSC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019803422	0	39	-1.0	-35.62	325.43	5.65	-29.97
CCC(CC)(NC(=O)CSC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019803422	1	39	-1.0	-35.59	325.50	5.66	-29.93
CCC(CC)(NC(=O)C1=CC2=C(C=C(Br)O2)N1)C1=N[N-]N=N1	REAL300019803423	0	36	-1.0	-33.40	311.73	3.17	-30.23
CCC(CC)(NC(=O)C1=CC2=C(C=C(Br)O2)N1)C1=NN=N[N-]1	REAL300019803423	1	36	-1.0	-33.42	311.79	3.18	-30.24
CCC(CC)(NC(=O)C1CCC(=O)N1CCC(F)(F)F)C1=N[N-]N=N1	REAL300019803424	0	45	-1.0	-38.79	362.77	4.19	-34.60
CCC(CC)(NC(=O)C1CCC(=O)N1CCC(F)(F)F)C1=NN=N[N-]1	REAL300019803424	1	45	-1.0	-38.81	362.83	4.20	-34.61
CCC(CC)(NC(=O)C1=CC(Br)=CC(Cl)=C1C)C1=N[N-]N=N1	REAL300019803425	0	38	-1.0	-31.92	326.25	6.27	-25.65
CCC(CC)(NC(=O)C1=CC(Br)=CC(Cl)=C1C)C1=NN=N[N-]1	REAL300019803425	1	38	-1.0	-31.87	326.31	6.27	-25.60
CCC(CC)(NC(=O)C1CC(=O)NC2=NC=CC=C21)C1=NN=N[N-]1	REAL300019803426	0	42	-1.0	-42.40	330.33	2.64	-39.76
CCC(CC)(NC(=O)C1CC(=O)NC2=NC=CC=C21)C1=N[N-]N=N1	REAL300019803426	1	42	-1.0	-42.42	330.27	2.64	-39.78
CCC(CC)(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=N[N-]N=N1	REAL300019803427	0	50	-1.0	-35.02	382.20	6.47	-28.55
CCC(CC)(NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NN=N[N-]1	REAL300019803427	1	50	-1.0	-35.05	382.26	6.48	-28.57
CCC(CC)(NC(=O)C1=CC2=CC(C)=CC(C)=C2N1)C1=NN=N[N-]1	REAL300019803428	0	45	-1.0	-34.89	351.46	5.82	-29.07
CCC(CC)(NC(=O)C1=CC2=CC(C)=CC(C)=C2N1)C1=N[N-]N=N1	REAL300019803428	1	45	-1.0	-34.87	351.40	5.82	-29.05
CCC(CC)(NC(=O)C1=CC2=C(N1)SC(C)=N2)C1=N[N-]N=N1	REAL300019803429	0	38	-1.0	-36.19	316.55	2.30	-33.89
CCC(CC)(NC(=O)C1=CC2=C(N1)SC(C)=N2)C1=NN=N[N-]1	REAL300019803429	1	38	-1.0	-36.16	316.61	2.31	-33.85
CCC(CC)(NC(=O)C1=C2COC(C)(C)C2=NN1)C1=N[N-]N=N1	REAL300019803430	0	43	-1.0	-33.84	335.12	1.53	-32.31
CCC(CC)(NC(=O)C1=C2COC(C)(C)C2=NN1)C1=NN=N[N-]1	REAL300019803430	1	43	-1.0	-33.85	335.19	1.54	-32.31
CCC(CC)(NC(=O)C1=CC(C2CCOCC2)=NN1)C1=N[N-]N=N1	REAL300019803431	0	46	-1.0	-34.15	351.45	2.39	-31.76
CCC(CC)(NC(=O)C1=CC(C2CCOCC2)=NN1)C1=NN=N[N-]1	REAL300019803431	1	46	-1.0	-34.12	351.52	2.39	-31.73
CCC(CC)(NC(=O)C1=CN(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL300019803432	0	45	-1.0	-36.91	343.78	4.85	-32.06
CCC(CC)(NC(=O)C1=CN(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL300019803432	1	45	-1.0	-36.91	343.71	4.84	-32.07
CCC(CC)(NC(=O)C1=NOC2=C1CC(F)(F)CC2)C1=N[N-]N=N1	REAL300019803433	0	41	-1.0	-39.24	327.23	4.65	-34.59
CCC(CC)(NC(=O)C1=NOC2=C1CC(F)(F)CC2)C1=NN=N[N-]1	REAL300019803433	1	41	-1.0	-39.25	327.30	4.66	-34.59
CCC(CC)(NC(=O)CCN1C=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019803434	0	44	-1.0	-39.47	349.69	6.30	-33.17
CCC(CC)(NC(=O)CCN1C=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019803434	1	44	-1.0	-39.48	349.63	6.29	-33.19
CCC(CC)(NC(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019803435	0	40	-1.0	-38.58	327.76	6.40	-32.18
CCC(CC)(NC(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019803435	1	40	-1.0	-38.61	327.84	6.41	-32.20
CCCC1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CS1	REAL300019803436	0	40	-1.0	-38.79	328.03	3.69	-35.10
CCCC1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CS1	REAL300019803436	1	40	-1.0	-38.76	328.09	3.70	-35.06
CCC(CC)(NC(=O)C1=C(Cl)C(C)=NN1C)C1=N[N-]N=N1	REAL300019803437	0	38	-1.0	-35.00	319.49	3.15	-31.85
CCC(CC)(NC(=O)C1=C(Cl)C(C)=NN1C)C1=NN=N[N-]1	REAL300019803437	1	38	-1.0	-34.97	319.56	3.16	-31.81
CCC(CC)(NC(=O)C1=CC=C(C(C)(C)C)N1)C1=N[N-]N=N1	REAL300019803438	0	45	-1.0	-34.65	343.90	4.69	-29.96
CCC(CC)(NC(=O)C1=CC=C(C(C)(C)C)N1)C1=NN=N[N-]1	REAL300019803438	1	45	-1.0	-34.62	343.97	4.69	-29.93
CCC(CC)(NC(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300019803439	0	41	-1.0	-44.62	343.94	2.17	-42.45
CCC(CC)(NC(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300019803439	1	41	-1.0	-44.64	344.00	2.18	-42.46
CCC(CC)(NC(=O)C1=CC2=CC=C(OC)N=C2N1)C1=N[N-]N=N1	REAL300019803440	0	42	-1.0	-37.04	336.51	2.14	-34.90
CCC(CC)(NC(=O)C1=CC2=CC=C(OC)N=C2N1)C1=NN=N[N-]1	REAL300019803440	1	42	-1.0	-37.05	336.57	2.16	-34.89
CCC(CC)(NC(=O)C1=C(C)SC(C(=O)OC)=C1)C1=N[N-]N=N1	REAL300019803441	0	41	-1.0	-39.50	339.13	5.03	-34.47
CCC(CC)(NC(=O)C1=C(C)SC(C(=O)OC)=C1)C1=NN=N[N-]1	REAL300019803441	1	41	-1.0	-39.49	339.20	5.03	-34.46
CCC(CC)(NC(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=N[N-]N=N1	REAL300019803442	0	48	-1.0	-46.64	368.06	2.33	-44.31
CCC(CC)(NC(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=NN=N[N-]1	REAL300019803442	1	48	-1.0	-46.67	368.12	2.35	-44.32
CCC(CC)(NC(=O)C1=CN=C(C(C)(C)C)N1)C1=N[N-]N=N1	REAL300019803443	0	44	-1.0	-34.33	339.38	3.71	-30.62
CCC(CC)(NC(=O)C1=CN=C(C(C)(C)C)N1)C1=NN=N[N-]1	REAL300019803443	1	44	-1.0	-34.30	339.44	3.72	-30.58
CCC(CC)(NC(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=NN=N[N-]1	REAL300019803444	0	38	-1.0	-41.47	322.20	4.87	-36.60
CCC(CC)(NC(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=N[N-]N=N1	REAL300019803444	1	38	-1.0	-41.51	322.14	4.87	-36.64
CCC(CC)(NC(=O)C1=CC2=C(S1)SC(C(=O)OC)=C2)C1=N[N-]N=N1	REAL300019803445	0	41	-1.0	-35.57	361.01	5.65	-29.92
CCC(CC)(NC(=O)C1=CC2=C(S1)SC(C(=O)OC)=C2)C1=NN=N[N-]1	REAL300019803445	1	41	-1.0	-35.54	361.08	5.67	-29.87
CCN1C=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CC1=O	REAL300019803446	0	41	-1.0	-41.05	322.85	4.17	-36.88
CCN1C=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CC1=O	REAL300019803446	1	41	-1.0	-41.05	322.91	4.19	-36.86
CCC(CC)(NC(=O)C1=CC=C2CCOC2=C1)C1=N[N-]N=N1	REAL300019803447	0	40	-1.0	-37.26	310.89	4.41	-32.85
CCC(CC)(NC(=O)C1=CC=C2CCOC2=C1)C1=NN=N[N-]1	REAL300019803447	1	40	-1.0	-37.24	310.96	4.42	-32.82
CCC(CC)(NC(=O)C1=NC=CC(OC)=C1F)C1=NN=N[N-]1	REAL300019803448	0	38	-1.0	-41.78	306.50	2.25	-39.53
CCC(CC)(NC(=O)C1=NC=CC(OC)=C1F)C1=N[N-]N=N1	REAL300019803448	1	38	-1.0	-41.74	306.44	2.25	-39.49
CCC(CC)(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=N[N-]N=N1	REAL300019803449	0	44	-1.0	-41.09	365.80	4.91	-36.18
CCC(CC)(NC(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=NN=N[N-]1	REAL300019803449	1	44	-1.0	-41.07	365.86	4.93	-36.14
CCC(CC)(NC(=O)CSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019803450	0	39	-1.0	-35.14	335.75	6.09	-29.05
CCC(CC)(NC(=O)CSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019803450	1	39	-1.0	-35.15	335.81	6.10	-29.05
CCC(CC)(NC(=O)C1=CC(COC)=CN=C1OC)C1=NN=N[N-]1	REAL300019803451	0	45	-1.0	-38.48	355.25	2.07	-36.41
CCC(CC)(NC(=O)C1=CC(COC)=CN=C1OC)C1=N[N-]N=N1	REAL300019803451	1	45	-1.0	-38.51	355.18	2.06	-36.45
CCC(CC)(NC(=O)CCN1C=CC2=CC(C)=CC=C21)C1=N[N-]N=N1	REAL300019803452	0	48	-1.0	-36.38	376.08	7.79	-28.59
CCC(CC)(NC(=O)CCN1C=CC2=CC(C)=CC=C21)C1=NN=N[N-]1	REAL300019803452	1	48	-1.0	-36.40	376.14	7.80	-28.60
CCC(CC)(NC(=O)C=C(C)C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019803453	0	46	-1.0	-36.03	359.70	5.76	-30.27
CCC(CC)(NC(=O)C=C(C)C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019803453	1	46	-1.0	-36.00	359.76	5.77	-30.23
CCC(CC)(NC(=O)CN1N=NC(C2CC2)=N1)C1=N[N-]N=N1	REAL300019803454	0	40	-1.0	-39.41	324.23	2.66	-36.75
CCC(CC)(NC(=O)CN1N=NC(C2CC2)=N1)C1=NN=N[N-]1	REAL300019803454	1	40	-1.0	-39.37	324.30	2.68	-36.69
CCC(CC)(NC(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300019803455	0	44	-1.0	-35.90	343.98	4.73	-31.17
CCC(CC)(NC(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300019803455	1	44	-1.0	-35.87	344.05	4.74	-31.13
CCC(CC)(NC(=O)CC(C1=CC=C(OC)C=C1)C(F)F)C1=N[N-]N=N1	REAL300019803456	0	48	-1.0	-36.36	374.60	5.73	-30.63
CCC(CC)(NC(=O)CC(C1=CC=C(OC)C=C1)C(F)F)C1=NN=N[N-]1	REAL300019803456	1	48	-1.0	-36.36	374.67	5.74	-30.62
CCC(CC)(NC(=O)C1=CC(OC)=CC2=C1OCC2)C1=N[N-]N=N1	REAL300019803457	0	44	-1.0	-39.51	340.29	4.37	-35.14
CCC(CC)(NC(=O)C1=CC(OC)=CC2=C1OCC2)C1=NN=N[N-]1	REAL300019803457	1	44	-1.0	-39.50	340.35	4.38	-35.12
CCC(CC)(NC(=O)CCN1C=NC(C)=CC1=O)C1=N[N-]N=N1	REAL300019803458	0	43	-1.0	-42.71	342.34	4.52	-38.19
CCC(CC)(NC(=O)CCN1C=NC(C)=CC1=O)C1=NN=N[N-]1	REAL300019803458	1	43	-1.0	-42.75	342.41	4.54	-38.21
CCC(CC)(NC(=O)C1=C2SC=C(C)C2=NC=N1)C1=NN=N[N-]1	REAL300019803459	0	39	-1.0	-37.27	323.74	4.57	-32.70
CCC(CC)(NC(=O)C1=C2SC=C(C)C2=NC=N1)C1=N[N-]N=N1	REAL300019803459	1	39	-1.0	-37.26	323.67	4.57	-32.69
CCC(CC)(NC(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019803460	0	49	-1.0	-38.78	378.68	4.68	-34.10
CCC(CC)(NC(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019803460	1	49	-1.0	-38.78	378.75	4.69	-34.09
CCC(CC)(NC(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019803461	0	52	-1.0	-44.37	402.40	2.68	-41.69
CCC(CC)(NC(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019803461	1	52	-1.0	-44.39	402.46	2.70	-41.69
CCC(CC)(NC(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803462	0	56	-1.0	-41.89	424.86	4.95	-36.94
CCC(CC)(NC(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803462	1	56	-1.0	-41.87	424.91	4.95	-36.92
CCC(CC)(NC(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803463	0	55	-1.0	-36.19	409.53	3.86	-32.33
CCC(CC)(NC(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803463	1	55	-1.0	-36.15	409.59	3.87	-32.28
CCC(CC)(NC(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803464	0	58	-1.0	-38.56	436.18	4.75	-33.81
CCC(CC)(NC(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803464	1	58	-1.0	-38.56	436.25	4.76	-33.80
CCC(CC)(NC(=O)CCOCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803465	0	55	-1.0	-38.07	422.45	2.03	-36.04
CCC(CC)(NC(=O)CCOCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803465	1	55	-1.0	-38.08	422.52	2.04	-36.04
CCC(CC)(NC(=O)CC1=NN=C2COCCN12)C1=N[N-]N=N1	REAL300019803466	0	42	-1.0	-42.70	329.51	2.56	-40.14
CCC(CC)(NC(=O)CC1=NN=C2COCCN12)C1=NN=N[N-]1	REAL300019803466	1	42	-1.0	-42.71	329.58	2.57	-40.14
CCC(CC)(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1N)C1=N[N-]N=N1	REAL300019803467	0	49	-1.0	-34.91	380.21	2.02	-32.89
CCC(CC)(NC(=O)C1=CC(OC)=C(OC)C(OC)=C1N)C1=NN=N[N-]1	REAL300019803467	1	49	-1.0	-34.86	380.27	2.03	-32.83
CCC(CC)(NC(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300019803468	0	37	-1.0	-32.18	316.84	3.84	-28.34
CCC(CC)(NC(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300019803468	1	37	-1.0	-32.16	316.90	3.85	-28.31
CCC(CC)(NC(=O)C1=CC(Br)=CC=C1N)C1=N[N-]N=N1	REAL300019803469	0	37	-1.0	-34.93	306.70	3.39	-31.54
CCC(CC)(NC(=O)C1=CC(Br)=CC=C1N)C1=NN=N[N-]1	REAL300019803469	1	37	-1.0	-34.94	306.77	3.39	-31.55
CCC(CC)(NC(=O)C1=CC(Cl)=CC=C1N)C1=N[N-]N=N1	REAL300019803470	0	37	-1.0	-35.09	302.13	3.29	-31.80
CCC(CC)(NC(=O)C1=CC(Cl)=CC=C1N)C1=NN=N[N-]1	REAL300019803470	1	37	-1.0	-35.12	302.20	3.29	-31.83
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300019803471	0	37	-1.0	-33.43	300.12	3.33	-30.10
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300019803471	1	37	-1.0	-33.41	300.18	3.34	-30.07
CCC(CC)(NC(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=N[N-]N=N1	REAL300019803472	0	40	-1.0	-33.27	319.97	3.91	-29.36
CCC(CC)(NC(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=NN=N[N-]1	REAL300019803472	1	40	-1.0	-33.23	320.03	3.91	-29.32
CCC(CC)(NC(=O)C1=CC(F)=C(F)C=C1N)C1=N[N-]N=N1	REAL300019803473	0	37	-1.0	-33.93	297.53	2.89	-31.04
CCC(CC)(NC(=O)C1=CC(F)=C(F)C=C1N)C1=NN=N[N-]1	REAL300019803473	1	37	-1.0	-33.95	297.58	2.90	-31.05
CCC(CC)(NC(=O)C1=CC(C)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019803474	0	40	-1.0	-33.32	326.45	4.00	-29.32
CCC(CC)(NC(=O)C1=CC(C)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019803474	1	40	-1.0	-33.34	326.51	4.02	-29.32
CCC(CC)(NC(=O)C1=CC(F)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019803475	0	37	-1.0	-32.50	310.65	3.52	-28.98
CCC(CC)(NC(=O)C1=CC(F)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019803475	1	37	-1.0	-32.46	310.72	3.53	-28.93
CCC(CC)(NC(=O)C1=CC=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019803476	0	37	-1.0	-33.31	304.25	3.46	-29.85
CCC(CC)(NC(=O)C1=CC=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019803476	1	37	-1.0	-33.29	304.32	3.46	-29.83
CCC(CC)(NC(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=N[N-]N=N1	REAL300019803477	0	37	-1.0	-31.60	314.37	3.81	-27.79
CCC(CC)(NC(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=NN=N[N-]1	REAL300019803477	1	37	-1.0	-31.61	314.43	3.82	-27.79
CCC(CC)(NC(=O)C1=C(C)C=CC(F)=C1N)C1=N[N-]N=N1	REAL300019803478	0	40	-1.0	-35.40	308.75	2.71	-32.69
CCC(CC)(NC(=O)C1=C(C)C=CC(F)=C1N)C1=NN=N[N-]1	REAL300019803478	1	40	-1.0	-35.43	308.82	2.71	-32.72
CCC(CC)(NC(=O)C1=CC(F)=CC(C)=C1N)C1=N[N-]N=N1	REAL300019803479	0	40	-1.0	-35.86	309.94	3.49	-32.37
CCC(CC)(NC(=O)C1=CC(F)=CC(C)=C1N)C1=NN=N[N-]1	REAL300019803479	1	40	-1.0	-35.91	310.01	3.50	-32.41
CCC(CC)(NC(=O)C1=CC(Br)=CC(F)=C1N)C1=N[N-]N=N1	REAL300019803480	0	37	-1.0	-32.02	312.40	3.48	-28.54
CCC(CC)(NC(=O)C1=CC(Br)=CC(F)=C1N)C1=NN=N[N-]1	REAL300019803480	1	37	-1.0	-32.08	312.45	3.48	-28.60
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=N[N-]N=N1	REAL300019803481	0	40	-1.0	-35.87	324.41	3.78	-32.09
CCC(CC)(NC(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=NN=N[N-]1	REAL300019803481	1	40	-1.0	-35.83	324.48	3.78	-32.05
CCC(CC)(NC(=O)C1=CC(Br)=CC(C)=C1N)C1=N[N-]N=N1	REAL300019803482	0	40	-1.0	-35.09	324.82	4.03	-31.06
CCC(CC)(NC(=O)C1=CC(Br)=CC(C)=C1N)C1=NN=N[N-]1	REAL300019803482	1	40	-1.0	-35.11	324.89	4.05	-31.06
CCC(CC)(NC(=O)C1=CC(Br)=C(F)C=C1N)C1=N[N-]N=N1	REAL300019803483	0	37	-1.0	-33.29	311.79	3.44	-29.85
CCC(CC)(NC(=O)C1=CC(Br)=C(F)C=C1N)C1=NN=N[N-]1	REAL300019803483	1	37	-1.0	-33.28	311.87	3.44	-29.84
CCC(CC)(NC(=O)C1=CC(Cl)=CC(C)=C1N)C1=N[N-]N=N1	REAL300019803484	0	40	-1.0	-35.23	320.26	3.93	-31.30
CCC(CC)(NC(=O)C1=CC(Cl)=CC(C)=C1N)C1=NN=N[N-]1	REAL300019803484	1	40	-1.0	-35.23	320.32	3.94	-31.29
CCC(CC)(NC(=O)C1=CC(C)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300019803485	0	40	-1.0	-33.43	322.31	3.88	-29.55
CCC(CC)(NC(=O)C1=CC(C)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300019803485	1	40	-1.0	-33.40	322.38	3.90	-29.50
CCC(CC)(NC(=O)C1=CC(Cl)=C(F)C=C1N)C1=N[N-]N=N1	REAL300019803486	0	37	-1.0	-33.32	307.39	3.34	-29.98
CCC(CC)(NC(=O)C1=CC(Cl)=C(F)C=C1N)C1=NN=N[N-]1	REAL300019803486	1	37	-1.0	-33.31	307.46	3.34	-29.97
CCC(CC)(NC(=O)C1=CC(Cl)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019803487	0	37	-1.0	-32.05	320.98	3.97	-28.08
CCC(CC)(NC(=O)C1=CC(Cl)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019803487	1	37	-1.0	-32.11	321.03	3.97	-28.14
CCC(CC)(NC(=O)C1=CC(N2C=C(C)C=N2)=C(F)C=C1N)C1=NN=N[N-]1	REAL300019803488	0	47	-1.0	-39.76	368.99	4.63	-35.13
CCC(CC)(NC(=O)C1=CC(N2C=C(C)C=N2)=C(F)C=C1N)C1=N[N-]N=N1	REAL300019803488	1	47	-1.0	-39.76	368.92	4.63	-35.13
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=C(OC)C=C1N)C1=N[N-]N=N1	REAL300019803489	0	47	-1.0	-46.19	371.91	0.16	-46.03
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=C(OC)C=C1N)C1=NN=N[N-]1	REAL300019803489	1	47	-1.0	-46.17	371.98	0.16	-46.01
CCC(CC)(NC(=O)C1=CC=C(Br)C(C)=C1N)C1=N[N-]N=N1	REAL300019803490	0	40	-1.0	-33.17	320.79	4.04	-29.13
CCC(CC)(NC(=O)C1=CC=C(Br)C(C)=C1N)C1=NN=N[N-]1	REAL300019803490	1	40	-1.0	-33.20	320.84	4.06	-29.14
CCC(CC)(NC(=O)C1=CC=C(F)C(C)=C1N)C1=N[N-]N=N1	REAL300019803491	0	40	-1.0	-33.15	308.03	3.57	-29.58
CCC(CC)(NC(=O)C1=CC=C(F)C(C)=C1N)C1=NN=N[N-]1	REAL300019803491	1	40	-1.0	-33.19	308.09	3.58	-29.61
CCC(CC)(NC(=O)C1=CC=C(C)C(Cl)=C1N)C1=N[N-]N=N1	REAL300019803492	0	40	-1.0	-33.42	317.90	3.92	-29.50
CCC(CC)(NC(=O)C1=CC=C(C)C(Cl)=C1N)C1=NN=N[N-]1	REAL300019803492	1	40	-1.0	-33.42	317.97	3.93	-29.49
CCC(CC)(NC(=O)C1=CC(C)=C(F)C=C1N)C1=N[N-]N=N1	REAL300019803493	0	40	-1.0	-32.91	311.49	3.48	-29.43
CCC(CC)(NC(=O)C1=CC(C)=C(F)C=C1N)C1=NN=N[N-]1	REAL300019803493	1	40	-1.0	-32.90	311.57	3.48	-29.42
CCC(CC)(NC(=O)C1=CC(F)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300019803494	0	37	-1.0	-32.51	306.54	3.40	-29.11
CCC(CC)(NC(=O)C1=CC(F)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300019803494	1	37	-1.0	-32.54	306.59	3.41	-29.13
CCC(CC)(NC(=O)C1=CC=C(OC)C(F)=C1N)C1=N[N-]N=N1	REAL300019803495	0	41	-1.0	-34.64	319.47	2.19	-32.45
CCC(CC)(NC(=O)C1=CC=C(OC)C(F)=C1N)C1=NN=N[N-]1	REAL300019803495	1	41	-1.0	-34.67	319.53	2.20	-32.47
CCC(CC)(NC(=O)C1=CC(F)=C(OC)C(F)=C1N)C1=N[N-]N=N1	REAL300019803496	0	41	-1.0	-33.17	330.52	2.36	-30.81
CCC(CC)(NC(=O)C1=CC(F)=C(OC)C(F)=C1N)C1=NN=N[N-]1	REAL300019803496	1	41	-1.0	-33.18	330.59	2.36	-30.82
CCC(CC)(NC(=O)C1=CC(Br)=CC(N)=C1N)C1=N[N-]N=N1	REAL300019803497	0	39	-1.0	-35.77	319.72	1.40	-34.37
CCC(CC)(NC(=O)C1=CC(Br)=CC(N)=C1N)C1=NN=N[N-]1	REAL300019803497	1	39	-1.0	-35.83	319.79	1.42	-34.41
CCC(CC)(NC(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=N[N-]N=N1	REAL300019803498	0	37	-1.0	-33.19	316.70	3.75	-29.44
CCC(CC)(NC(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=NN=N[N-]1	REAL300019803498	1	37	-1.0	-33.17	316.77	3.75	-29.42
CCC(CC)(NC(=O)C1=CC(F)=C(Br)C=C1N)C1=N[N-]N=N1	REAL300019803499	0	37	-1.0	-33.60	311.82	3.44	-30.16
CCC(CC)(NC(=O)C1=CC(F)=C(Br)C=C1N)C1=NN=N[N-]1	REAL300019803499	1	37	-1.0	-33.60	311.88	3.44	-30.16
CCC(CC)(NC(=O)C1=CC(OC)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019803500	0	41	-1.0	-34.84	334.51	2.63	-32.21
CCC(CC)(NC(=O)C1=CC(OC)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019803500	1	41	-1.0	-34.84	334.58	2.64	-32.20
CCC(CC)(NC(=O)C1=CC=C(Cl)C(F)=C1N)C1=N[N-]N=N1	REAL300019803501	0	37	-1.0	-31.77	306.45	3.37	-28.40
CCC(CC)(NC(=O)C1=CC=C(Cl)C(F)=C1N)C1=NN=N[N-]1	REAL300019803501	1	37	-1.0	-31.78	306.52	3.37	-28.41
CCC(CC)(NC(=O)C1=CC(Br)=C(OC)C=C1N)C1=N[N-]N=N1	REAL300019803502	0	41	-1.0	-36.18	334.59	2.76	-33.42
CCC(CC)(NC(=O)C1=CC(Br)=C(OC)C=C1N)C1=NN=N[N-]1	REAL300019803502	1	41	-1.0	-36.19	334.67	2.77	-33.42
CCC(CC)(NC(=O)C1=CC=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL300019803503	0	37	-1.0	-31.64	310.86	3.47	-28.17
CCC(CC)(NC(=O)C1=CC=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL300019803503	1	37	-1.0	-31.65	310.93	3.47	-28.18
CCC(CC)(NC(=O)C1=C(N)C=CC(F)=C1C)C1=N[N-]N=N1	REAL300019803504	0	40	-1.0	-35.71	308.02	2.73	-32.98
CCC(CC)(NC(=O)C1=C(N)C=CC(F)=C1C)C1=NN=N[N-]1	REAL300019803504	1	40	-1.0	-35.73	308.08	2.73	-33.00
CCC(CC)(NC(=O)C1=C(OC)C=C(OC)C(Cl)=C1N)C1=N[N-]N=N1	REAL300019803505	0	45	-1.0	-38.67	360.41	1.56	-37.11
CCC(CC)(NC(=O)C1=C(OC)C=C(OC)C(Cl)=C1N)C1=NN=N[N-]1	REAL300019803505	1	45	-1.0	-38.65	360.47	1.57	-37.08
CCC(CC)(NC(=O)C1=CC=C(Br)C(Cl)=N1)C1=NN=N[N-]1	REAL300019803506	0	34	-1.0	-36.57	309.44	3.72	-32.85
CCC(CC)(NC(=O)C1=CC=C(Br)C(Cl)=N1)C1=N[N-]N=N1	REAL300019803506	1	34	-1.0	-36.56	309.37	3.70	-32.86
CCC(CC)(NC(=O)[C@H](CO)NS(=O)(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019803507	0	50	-1.0	-39.99	403.75	-1.09	-41.08
CCC(CC)(NC(=O)[C@H](CO)NS(=O)(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019803507	1	50	-1.0	-40.04	403.82	-1.08	-41.12
CCC(CC)(NC(=O)CSCC[NH+](C)C)C1=N[N-]N=N1	REAL300019803508	0	44	0.0	-59.13	342.96	4.78	-54.35
CCC(CC)(NC(=O)CSCC[NH+](C)C)C1=NN=N[N-]1	REAL300019803508	1	44	0.0	-59.11	343.03	4.79	-54.32
CCC(CC)(NC(=O)CCC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL300019803509	0	38	-1.0	-35.04	330.93	5.49	-29.55
CCC(CC)(NC(=O)CCC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL300019803509	1	38	-1.0	-35.04	330.99	5.50	-29.54
CCC(CC)(NC(=O)C1=CN(C)C=C(Br)C1=O)C1=N[N-]N=N1	REAL300019803510	0	38	-1.0	-55.52	319.98	4.66	-50.86
CCC(CC)(NC(=O)C1=CN(C)C=C(Br)C1=O)C1=NN=N[N-]1	REAL300019803510	1	38	-1.0	-55.55	320.03	4.67	-50.88
CCC(CC)(NC(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300019803511	0	57	-1.0	-36.23	412.89	6.57	-29.66
CCC(CC)(NC(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300019803511	1	57	-1.0	-36.23	412.96	6.58	-29.65
CCC(CC)(NC(=O)C12CC(C1)CN2C1CC1)C1=N[N-]N=N1	REAL300019803512	0	45	-1.0	-35.97	331.59	2.95	-33.02
CCC(CC)(NC(=O)C12CC(C1)CN2C1CC1)C1=NN=N[N-]1	REAL300019803512	1	45	-1.0	-35.98	331.65	2.95	-33.03
CCC(CC)(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=NN=N[N-]1	REAL300019803512	1	46	0.0	-47.01	334.45	5.52	-41.49
CCC(CC)(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=NN=N[N-]1	REAL300019803512	1	46	0.0	-47.14	327.36	4.87	-42.27
CCC(CC)(NC(=O)C1=NN=C2C(Br)=CC=CN12)C1=NN=N[N-]1	REAL300019803513	0	37	-1.0	-43.19	319.69	5.30	-37.89
CCC(CC)(NC(=O)C1=NN=C2C(Br)=CC=CN12)C1=N[N-]N=N1	REAL300019803513	1	37	-1.0	-43.18	319.62	5.29	-37.89
CCC(CC)(NC(=O)C1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300019803514	0	43	-1.0	-39.25	336.15	3.40	-35.85
CCC(CC)(NC(=O)C1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300019803514	1	43	-1.0	-39.27	336.21	3.41	-35.86
CCC(CC)(NC(=O)C1=C(C)C2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL300019803515	0	42	-1.0	-33.95	333.63	5.13	-28.82
CCC(CC)(NC(=O)C1=C(C)C2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL300019803515	1	42	-1.0	-33.97	333.69	5.14	-28.83
CCC(CC)(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019803516	0	42	-1.0	-35.43	335.73	6.34	-29.09
CCC(CC)(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019803516	1	42	-1.0	-35.41	335.79	6.35	-29.06
CCC(CC)(NC(=O)C=CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019803517	0	43	-1.0	-37.23	343.61	5.34	-31.89
CCC(CC)(NC(=O)C=CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019803517	1	43	-1.0	-37.24	343.67	5.35	-31.89
CCC(CC)(NC(=O)C1=C(C)C2=CC(OC(F)(F)F)=CC=C2N1)C1=N[N-]N=N1	REAL300019803518	0	46	-1.0	-33.32	373.24	4.84	-28.48
CCC(CC)(NC(=O)C1=C(C)C2=CC(OC(F)(F)F)=CC=C2N1)C1=NN=N[N-]1	REAL300019803518	1	46	-1.0	-33.32	373.30	4.85	-28.47
CCC(CC)(NC(=O)CC1CC(=O)NC(=O)C1)C1=N[N-]N=N1	REAL300019803519	0	41	-1.0	-41.67	318.69	0.78	-40.89
CCC(CC)(NC(=O)CC1CC(=O)NC(=O)C1)C1=NN=N[N-]1	REAL300019803519	1	41	-1.0	-41.67	318.75	0.79	-40.88
CCC(CC)(NC(=O)C1=CC=NC2=NNC=C21)C1=NN=N[N-]1	REAL300019803520	0	37	-1.0	-38.22	296.21	2.43	-35.79
CCC(CC)(NC(=O)C1=CC=NC2=NNC=C21)C1=N[N-]N=N1	REAL300019803520	1	37	-1.0	-38.20	296.14	2.42	-35.78
CCC(CC)(NC(=O)CC1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL300019803521	0	39	-1.0	-36.94	316.55	2.40	-34.54
CCC(CC)(NC(=O)CC1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL300019803521	1	39	-1.0	-36.95	316.61	2.41	-34.54
CCC(CC)(NC(=O)C1CC2CC(O)CC(C2)C1)C1=N[N-]N=N1	REAL300019803522	0	49	-1.0	-36.36	346.22	3.09	-33.27
CCC(CC)(NC(=O)C1CC2CC(O)CC(C2)C1)C1=NN=N[N-]1	REAL300019803522	1	49	-1.0	-36.33	346.29	3.10	-33.23
CCC(CC)(NC(=O)C1=CC2=C(N1)SC(Br)=N2)C1=N[N-]N=N1	REAL300019803523	0	35	-1.0	-33.11	315.52	2.28	-30.83
CCC(CC)(NC(=O)C1=CC2=C(N1)SC(Br)=N2)C1=NN=N[N-]1	REAL300019803523	1	35	-1.0	-33.16	315.59	2.28	-30.88
CCC(CC)(NC(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=N[N-]N=N1	REAL300019803524	0	41	-1.0	-35.12	332.53	2.71	-32.41
CCC(CC)(NC(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=NN=N[N-]1	REAL300019803524	1	41	-1.0	-35.13	332.59	2.72	-32.41
CCC(CC)(NC(=O)C1=CC2=CNN=C2S1)C1=N[N-]N=N1	REAL300019803525	0	35	-1.0	-42.54	294.56	2.26	-40.28
CCC(CC)(NC(=O)C1=CC2=CNN=C2S1)C1=NN=N[N-]1	REAL300019803525	1	35	-1.0	-42.52	294.63	2.27	-40.25
CCC(CC)(NC(=O)C1=C(Br)SN=C1C)C1=N[N-]N=N1	REAL300019803526	0	34	-1.0	-32.71	298.24	3.07	-29.64
CCC(CC)(NC(=O)C1=C(Br)SN=C1C)C1=NN=N[N-]1	REAL300019803526	1	34	-1.0	-32.72	298.32	3.08	-29.64
CCC(CC)(NC(=O)C1CCC2=NC(C)=CN2C1)C1=N[N-]N=N1	REAL300019803527	0	45	-1.0	-36.12	342.47	5.15	-30.97
CCC(CC)(NC(=O)C1CCC2=NC(C)=CN2C1)C1=NN=N[N-]1	REAL300019803527	1	45	-1.0	-36.14	342.53	5.17	-30.97
CCC(CC)(NC(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=NN=N[N-]1	REAL300019803528	0	37	-1.0	-34.45	314.84	4.66	-29.79
CCC(CC)(NC(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=N[N-]N=N1	REAL300019803528	1	37	-1.0	-34.47	314.78	4.65	-29.82
CCC(CC)(NC(=O)C1=CC(OC)=CC(C(=O)OC)=C1Cl)C1=N[N-]N=N1	REAL300019803529	0	45	-1.0	-39.15	368.35	4.79	-34.36
CCC(CC)(NC(=O)C1=CC(OC)=CC(C(=O)OC)=C1Cl)C1=NN=N[N-]1	REAL300019803529	1	45	-1.0	-39.14	368.42	4.80	-34.34
CCC(CC)(NC(=O)C1=CN=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019803530	0	36	-1.0	-32.80	299.35	1.65	-31.15
CCC(CC)(NC(=O)C1=CN=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019803530	1	36	-1.0	-32.81	299.40	1.65	-31.16
CCC(CC)(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=N[N-]N=N1	REAL300019803531	0	45	0.0	-72.25	335.97	2.55	-69.70
CCC(CC)(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL300019803531	1	45	0.0	-72.22	336.04	2.57	-69.65
CCC(CC)(NC(=O)CCN1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019803532	0	50	-1.0	-36.09	370.56	5.59	-30.50
CCC(CC)(NC(=O)CCN1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019803532	1	50	-1.0	-36.10	370.62	5.61	-30.49
CCC(CC)(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803533	0	52	-1.0	-39.83	398.02	0.23	-39.60
CCC(CC)(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803533	1	52	-1.0	-39.80	398.09	0.24	-39.56
CCC(CC)(NC(=O)C1CC2(C1)C(C(=O)OC)C2(F)F)C1=N[N-]N=N1	REAL300019803534	0	45	-1.0	-38.38	364.09	5.57	-32.81
CCC(CC)(NC(=O)C1CC2(C1)C(C(=O)OC)C2(F)F)C1=NN=N[N-]1	REAL300019803534	1	45	-1.0	-38.40	364.15	5.58	-32.82
CCC(CC)(NC(=O)C(O)CC1=CC=NC=C1Br)C1=N[N-]N=N1	REAL300019803535	0	41	-1.0	-34.80	337.06	2.83	-31.97
CCC(CC)(NC(=O)C(O)CC1=CC=NC=C1Br)C1=NN=N[N-]1	REAL300019803535	1	41	-1.0	-34.80	337.12	2.84	-31.96
CCC(CC)(NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C1=NN=N[N-]1	REAL300019803536	0	42	0.0	-51.32	327.71	6.15	-45.17
CCC(CC)(NC(=O)C1=CN2C(=CN=C2C)C=C1)C1=NN=N[N-]1	REAL300019803536	1	41	-1.0	-36.03	324.28	5.70	-30.33
CCC(CC)(NC(=O)[C@H]1C[C@]1(Cl)C(=O)OC)C1=N[N-]N=N1	REAL300019803537	0	38	-1.0	-36.29	318.78	4.10	-32.19
CCC(CC)(NC(=O)[C@H]1C[C@]1(Cl)C(=O)OC)C1=NN=N[N-]1	REAL300019803537	1	38	-1.0	-36.28	318.85	4.12	-32.16
CCC(CC)(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803538	0	52	-1.0	-38.17	398.28	0.44	-37.73
CCC(CC)(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803538	1	52	-1.0	-38.18	398.35	0.46	-37.72
CCC(CC)(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803539	0	56	-1.0	-44.64	420.56	5.56	-39.08
CCC(CC)(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803539	1	56	-1.0	-44.69	420.62	5.56	-39.13
CCC(CC)(NC(=O)C1=NOC(C)=C1I)C1=N[N-]N=N1	REAL300019803540	0	34	-1.0	-36.98	301.73	3.60	-33.38
CCC(CC)(NC(=O)C1=NOC(C)=C1I)C1=NN=N[N-]1	REAL300019803540	1	34	-1.0	-36.99	301.80	3.61	-33.38
CCC(CC)(NC(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL300019803541	0	50	-1.0	-38.72	383.62	4.48	-34.24
CCC(CC)(NC(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL300019803541	1	50	-1.0	-38.69	383.69	4.50	-34.19
CCC(CC)(NC(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803542	0	49	-1.0	-37.18	384.33	2.57	-34.61
CCC(CC)(NC(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803542	1	49	-1.0	-37.20	384.39	2.59	-34.61
CCC(CC)(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=N[N-]N=N1	REAL300019803543	0	56	-1.0	-43.40	421.28	1.84	-41.56
CCC(CC)(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=NN=N[N-]1	REAL300019803543	1	56	-1.0	-43.39	421.35	1.85	-41.54
CCC(CC)(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803544	0	56	-1.0	-44.64	420.56	5.56	-39.08
CCC(CC)(NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803544	1	56	-1.0	-44.69	420.62	5.56	-39.13
CCC(CC)(NC(=O)[C@H]1C[C@H](N2C=NN=C2)C1)C1=NN=N[N-]1	REAL300019803545	0	41	-1.0	-39.74	319.52	6.23	-33.51
CCC(CC)(NC(=O)[C@H]1C[C@H](N2C=NN=C2)C1)C1=N[N-]N=N1	REAL300019803545	1	41	-1.0	-39.76	319.46	6.23	-33.53
CCN1CCOCC1CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803546	0	47	-1.0	-35.34	341.71	1.12	-34.22
CCN1CCOCC1CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803546	1	47	-1.0	-35.38	341.78	1.14	-34.24
CC[N@@H+]1CCOCC1CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803546	1	48	0.0	-54.50	339.10	3.29	-51.21
CC[N@H+]1CCOCC1CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803546	1	48	0.0	-55.18	344.29	3.32	-51.86
CCC(CC)(NC(=O)C1=CC=C(C(CF)(OC)OC)C=C1)C1=N[N-]N=N1	REAL300019803547	0	49	-1.0	-36.81	376.17	4.89	-31.92
CCC(CC)(NC(=O)C1=CC=C(C(CF)(OC)OC)C=C1)C1=NN=N[N-]1	REAL300019803547	1	49	-1.0	-36.79	376.24	4.90	-31.89
CCOC(=O)CCC(F)(F)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803548	0	43	-1.0	-35.50	349.56	4.76	-30.74
CCOC(=O)CCC(F)(F)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803548	1	43	-1.0	-35.50	349.63	4.77	-30.73
CCC(CC)(NC(=O)C1=CC(OC)=CC(OC)=C1N)C1=N[N-]N=N1	REAL300019803549	0	45	-1.0	-37.93	344.24	1.34	-36.59
CCC(CC)(NC(=O)C1=CC(OC)=CC(OC)=C1N)C1=NN=N[N-]1	REAL300019803549	1	45	-1.0	-37.90	344.31	1.35	-36.55
CCC(CC)(NC(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019803550	0	44	-1.0	-36.59	342.46	4.33	-32.26
CCC(CC)(NC(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019803550	1	44	-1.0	-36.61	342.53	4.35	-32.26
CCC(CC)(NC(=O)COC1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019803551	0	50	-1.0	-47.00	391.31	1.42	-45.58
CCC(CC)(NC(=O)COC1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019803551	1	50	-1.0	-47.07	391.38	1.44	-45.63
CCC(CC)(NC(=O)C1=CC=CC(N2C=C(C)C=N2)=C1)C1=NN=N[N-]1	REAL300019803552	0	45	-1.0	-41.91	356.19	6.32	-35.59
CCC(CC)(NC(=O)C1=CC=CC(N2C=C(C)C=N2)=C1)C1=N[N-]N=N1	REAL300019803552	1	45	-1.0	-41.95	356.12	6.31	-35.64
CCC(CC)(NC(=O)C(C)CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019803553	0	44	-1.0	-35.67	349.97	6.51	-29.16
CCC(CC)(NC(=O)C(C)CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019803553	1	44	-1.0	-35.63	350.04	6.53	-29.10
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL300019803554	0	46	-1.0	-42.35	373.73	8.16	-34.19
CCC(CC)(NC(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL300019803554	1	46	-1.0	-42.33	373.80	8.17	-34.16
CCC(CC)(NC(=O)C1=CC=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300019803555	0	41	-1.0	-35.43	323.01	6.89	-28.54
CCC(CC)(NC(=O)C1=CC=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300019803555	1	41	-1.0	-35.38	322.96	6.89	-28.49
CCC(CC)(NC(=O)C1=NC=C(Br)N1C)C1=NN=N[N-]1	REAL300019803556	0	35	-1.0	-35.54	297.98	3.38	-32.16
CCC(CC)(NC(=O)C1=NC=C(Br)N1C)C1=N[N-]N=N1	REAL300019803556	1	35	-1.0	-35.56	297.92	3.37	-32.19
CCC(CC)(NC(=O)C1=CN=C2OC=CC2=C1)C1=NN=N[N-]1	REAL300019803557	0	37	-1.0	-38.45	298.25	1.75	-36.70
CCC(CC)(NC(=O)C1=CN=C2OC=CC2=C1)C1=N[N-]N=N1	REAL300019803557	1	37	-1.0	-38.44	298.18	1.73	-36.71
CCC(CC)(NC(=O)CCC1=CSC(Br)=C1)C1=N[N-]N=N1	REAL300019803558	0	38	-1.0	-34.24	333.55	5.59	-28.65
CCC(CC)(NC(=O)CCC1=CSC(Br)=C1)C1=NN=N[N-]1	REAL300019803558	1	38	-1.0	-34.21	333.62	5.60	-28.61
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL300019803559	0	52	-1.0	-39.91	405.17	8.05	-31.86
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300019803559	1	52	-1.0	-39.90	405.23	8.05	-31.85
CCC(CC)(NC(=O)C1=CC=NN1C1CC1(F)F)C1=NN=N[N-]1	REAL300019803560	0	39	-1.0	-34.87	319.29	4.12	-30.75
CCC(CC)(NC(=O)C1=CC=NN1C1CC1(F)F)C1=N[N-]N=N1	REAL300019803560	1	39	-1.0	-34.85	319.22	4.10	-30.75
CCC(CC)(NC(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803561	0	48	-1.0	-36.22	357.81	4.53	-31.69
CCC(CC)(NC(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803561	1	48	-1.0	-36.19	357.88	4.54	-31.65
CCOC1=CC=C2NC(C(=O)NC(CC)(CC)C3=N[N-]N=N3)=C(C)C2=C1	REAL300019803562	0	49	-1.0	-35.80	378.61	5.27	-30.53
CCOC1=CC=C2NC(C(=O)NC(CC)(CC)C3=NN=N[N-]3)=C(C)C2=C1	REAL300019803562	1	49	-1.0	-35.82	378.67	5.28	-30.54
CCC1=CC=C2NC(C(=O)NC(CC)(CC)C3=N[N-]N=N3)=C(C)C2=C1	REAL300019803563	0	48	-1.0	-35.27	370.08	6.50	-28.77
CCC1=CC=C2NC(C(=O)NC(CC)(CC)C3=NN=N[N-]3)=C(C)C2=C1	REAL300019803563	1	48	-1.0	-35.27	370.14	6.51	-28.76
CCC(CC)(NC(=O)C1=C(C)C2=C(C)C=C(C)C=C2N1)C1=NN=N[N-]1	REAL300019803564	0	48	-1.0	-35.89	362.98	6.19	-29.70
CCC(CC)(NC(=O)C1=C(C)C2=C(C)C=C(C)C=C2N1)C1=N[N-]N=N1	REAL300019803564	1	48	-1.0	-35.90	362.91	6.18	-29.72
CCC(CC)(NC(=O)C1=C(C)C2=CC(C(C)C)=CC=C2N1)C1=N[N-]N=N1	REAL300019803565	0	51	-1.0	-35.12	387.25	6.97	-28.15
CCC(CC)(NC(=O)C1=C(C)C2=CC(C(C)C)=CC=C2N1)C1=NN=N[N-]1	REAL300019803565	1	51	-1.0	-35.06	387.32	6.98	-28.08
CCC(CC)(NC(=O)C1=CC2=C(C(=O)OC)C=CC=C2S1)C1=N[N-]N=N1	REAL300019803566	0	44	-1.0	-42.74	365.80	6.38	-36.36
CCC(CC)(NC(=O)C1=CC2=C(C(=O)OC)C=CC=C2S1)C1=NN=N[N-]1	REAL300019803566	1	44	-1.0	-42.73	365.87	6.39	-36.34
CCC(CC)(NC(=O)CCC1=CC=CN=C1C(=O)OC)C1=NN=N[N-]1	REAL300019803567	0	46	-1.0	-41.81	363.67	4.54	-37.27
CCC(CC)(NC(=O)CCC1=CC=CN=C1C(=O)OC)C1=N[N-]N=N1	REAL300019803567	1	46	-1.0	-41.85	363.60	4.53	-37.32
CCC(CC)(NC(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803568	0	55	-1.0	-37.82	414.14	3.79	-34.03
CCC(CC)(NC(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803568	1	55	-1.0	-37.85	414.20	3.80	-34.05
CCC(CC)(NC(=O)C=CC1=CC=CN=C1C)C1=N[N-]N=N1	REAL300019803569	0	41	-1.0	-36.55	323.11	4.38	-32.17
CCC(CC)(NC(=O)C=CC1=CC=CN=C1C)C1=NN=N[N-]1	REAL300019803569	1	41	-1.0	-36.59	323.17	4.39	-32.20
CCC(CC)(NC(=O)C=CC1=CC=NC=C1C)C1=N[N-]N=N1	REAL300019803570	0	41	-1.0	-36.13	323.25	4.40	-31.73
CCC(CC)(NC(=O)C=CC1=CC=NC=C1C)C1=NN=N[N-]1	REAL300019803570	1	41	-1.0	-36.14	323.32	4.42	-31.72
CCC(CC)(NC(=O)C=CC1=CN=CC(C(=O)NC)=C1)C1=N[N-]N=N1	REAL300019803571	0	45	-1.0	-41.57	361.89	2.14	-39.43
CCC(CC)(NC(=O)C=CC1=CN=CC(C(=O)NC)=C1)C1=NN=N[N-]1	REAL300019803571	1	45	-1.0	-41.62	361.96	2.15	-39.47
CCC(CC)(NC(=O)C=CC1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL300019803572	0	38	-1.0	-36.04	322.31	4.32	-31.72
CCC(CC)(NC(=O)C=CC1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL300019803572	1	38	-1.0	-36.04	322.37	4.33	-31.71
CCC(CC)(NC(=O)C1=CC=CC(OC)=C1N)C1=N[N-]N=N1	REAL300019803573	0	41	-1.0	-35.71	313.99	2.15	-33.56
CCC(CC)(NC(=O)C1=CC=CC(OC)=C1N)C1=NN=N[N-]1	REAL300019803573	1	41	-1.0	-35.71	314.03	2.16	-33.55
CCC(CC)(NC(=O)C1=C(C)C=CC(OC)=C1N)C1=N[N-]N=N1	REAL300019803574	0	44	-1.0	-37.16	331.58	2.05	-35.11
CCC(CC)(NC(=O)C1=C(C)C=CC(OC)=C1N)C1=NN=N[N-]1	REAL300019803574	1	44	-1.0	-37.19	331.63	2.03	-35.16
CCC(CC)(NC(=O)C=CC1=CC=NC2=CC=CC=C12)C1=N[N-]N=N1	REAL300019803575	0	44	-1.0	-38.04	349.14	5.94	-32.10
CCC(CC)(NC(=O)C=CC1=CC=NC2=CC=CC=C12)C1=NN=N[N-]1	REAL300019803575	1	44	-1.0	-38.03	349.21	5.96	-32.07
CCC(CC)(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019803576	0	42	-1.0	-35.43	335.73	6.34	-29.09
CCC(CC)(NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019803576	1	42	-1.0	-35.41	335.79	6.35	-29.06
CCC(CC)(NC(=O)C(C)=CC1=CC=CS1)C1=N[N-]N=N1	REAL300019803577	0	39	-1.0	-35.26	309.79	5.02	-30.24
CCC(CC)(NC(=O)C(C)=CC1=CC=CS1)C1=NN=N[N-]1	REAL300019803577	1	39	-1.0	-35.27	309.86	5.04	-30.23
CCC(CC)(NC(=O)C1CCC(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019803578	0	46	-1.0	-46.11	343.14	-0.67	-46.78
CCC(CC)(NC(=O)C1CCC(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019803578	1	46	-1.0	-46.11	343.21	-0.66	-46.77
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300019803579	0	41	-1.0	-40.13	339.12	5.58	-34.55
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300019803579	1	41	-1.0	-40.15	339.05	5.57	-34.58
CCC(CC)(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019803580	0	39	-1.0	-34.43	329.90	3.72	-30.71
CCC(CC)(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019803580	1	39	-1.0	-34.46	329.96	3.72	-30.74
CCC(CC)(NC(=O)C1=C(OC)C(OC)=CS1)C1=N[N-]N=N1	REAL300019803581	0	40	-1.0	-37.70	327.81	3.42	-34.28
CCC(CC)(NC(=O)C1=C(OC)C(OC)=CS1)C1=NN=N[N-]1	REAL300019803581	1	40	-1.0	-37.70	327.88	3.43	-34.27
CCC(CC)(NC(=O)C1=CC=C(Br)C2=CC=CN=C12)C1=NN=N[N-]1	REAL300019803582	0	40	-1.0	-39.03	332.65	5.87	-33.16
CCC(CC)(NC(=O)C1=CC=C(Br)C2=CC=CN=C12)C1=N[N-]N=N1	REAL300019803582	1	40	-1.0	-39.05	332.58	5.87	-33.18
CCC(CC)(NC(=O)C(SC)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019803583	0	42	-1.0	-34.56	356.98	6.62	-27.94
CCC(CC)(NC(=O)C(SC)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019803583	1	42	-1.0	-34.56	357.05	6.63	-27.93
CCC(CC)(NC(=O)C1=CC2=CC=C(C)C=C2N=C1)C1=N[N-]N=N1	REAL300019803584	0	43	-1.0	-37.68	337.71	5.60	-32.08
CCC(CC)(NC(=O)C1=CC2=CC=C(C)C=C2N=C1)C1=NN=N[N-]1	REAL300019803584	1	43	-1.0	-37.68	337.78	5.60	-32.08
CCC(CC)(NC(=O)C1=CC=C(F)C(OC)=C1F)C1=N[N-]N=N1	REAL300019803585	0	39	-1.0	-35.79	319.06	4.11	-31.68
CCC(CC)(NC(=O)C1=CC=C(F)C(OC)=C1F)C1=NN=N[N-]1	REAL300019803585	1	39	-1.0	-35.80	319.12	4.11	-31.69
CCC(CC)(NC(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019803586	0	41	-1.0	-41.30	339.39	4.49	-36.81
CCC(CC)(NC(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019803586	1	41	-1.0	-41.30	339.45	4.50	-36.80
CCC(CC)(NC(=O)C1=CN=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL300019803587	0	41	-1.0	-36.90	329.30	4.37	-32.53
CCC(CC)(NC(=O)C1=CN=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL300019803587	1	41	-1.0	-36.89	329.24	4.37	-32.52
CCC(CC)(NC(=O)C[C@H](C)C1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019803588	0	48	-1.0	-34.60	380.54	6.25	-28.35
CCC(CC)(NC(=O)C[C@H](C)C1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019803588	1	48	-1.0	-34.63	380.60	6.25	-28.38
CCC(CC)(NC(=O)C1CCS(=O)(=O)C1(C)C)C1=N[N-]N=N1	REAL300019803589	0	44	-1.0	-40.48	329.26	1.23	-39.25
CCC(CC)(NC(=O)C1CCS(=O)(=O)C1(C)C)C1=NN=N[N-]1	REAL300019803589	1	44	-1.0	-40.48	329.32	1.24	-39.24
CCC(CC)(NC(=O)C1=CC(F)=CC(OC)=C1N)C1=N[N-]N=N1	REAL300019803590	0	41	-1.0	-35.24	321.24	2.12	-33.12
CCC(CC)(NC(=O)C1=CC(F)=CC(OC)=C1N)C1=NN=N[N-]1	REAL300019803590	1	41	-1.0	-35.21	321.30	2.13	-33.08
CCC(CC)(NC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C1=NN=N[N-]1	REAL300019803591	0	41	-1.0	-38.31	318.07	2.75	-35.56
CCC(CC)(NC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C1=N[N-]N=N1	REAL300019803591	1	41	-1.0	-38.29	318.00	2.74	-35.55
CCCC1=CC=C(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019803592	0	47	-1.0	-35.57	364.88	7.34	-28.23
CCCC1=CC=C(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019803592	1	47	-1.0	-35.54	364.95	7.35	-28.19
CCC(CC)(NC(=O)C1=CC(=O)N(C(C)C)C=C1)C1=N[N-]N=N1	REAL300019803593	0	44	-1.0	-40.06	339.24	4.58	-35.48
CCC(CC)(NC(=O)C1=CC(=O)N(C(C)C)C=C1)C1=NN=N[N-]1	REAL300019803593	1	44	-1.0	-40.07	339.31	4.59	-35.48
CCC(CC)(NC(=O)CCCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL300019803594	0	47	-1.0	-43.21	370.23	4.16	-39.05
CCC(CC)(NC(=O)CCCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL300019803594	1	47	-1.0	-43.22	370.30	4.17	-39.05
CCC(CC)(NC(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019803595	0	47	-1.0	-35.67	357.50	6.83	-28.84
CCC(CC)(NC(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019803595	1	47	-1.0	-35.61	357.57	6.85	-28.76
CCC(CC)(NC(=O)C1COC2=C(Br)C=CC=C2C1)C1=N[N-]N=N1	REAL300019803596	0	43	-1.0	-35.39	350.65	5.65	-29.74
CCC(CC)(NC(=O)C1COC2=C(Br)C=CC=C2C1)C1=NN=N[N-]1	REAL300019803596	1	43	-1.0	-35.38	350.71	5.66	-29.72
C=CC1(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)CCOCC1	REAL300019803597	0	46	-1.0	-34.23	328.12	3.54	-30.69
C=CC1(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)CCOCC1	REAL300019803597	1	46	-1.0	-34.21	328.19	3.55	-30.66
CCC(CC)(NC(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=NN=N[N-]1	REAL300019803598	0	42	-1.0	-46.33	342.27	5.80	-40.53
CCC(CC)(NC(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=N[N-]N=N1	REAL300019803598	1	42	-1.0	-46.31	342.21	5.80	-40.51
CCC(CC)(NC(=O)C(C)=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019803599	0	42	-1.0	-34.94	329.45	6.28	-28.66
CCC(CC)(NC(=O)C(C)=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019803599	1	42	-1.0	-34.92	329.51	6.30	-28.62
CCCCC1=NC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CS1	REAL300019803600	0	43	-1.0	-38.89	349.53	4.47	-34.42
CCCCC1=NC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CS1	REAL300019803600	1	43	-1.0	-38.89	349.59	4.48	-34.41
CCC(CC)(NC(=O)C1=CC=C(C(=O)CF)C=C1)C1=N[N-]N=N1	REAL300019803601	0	40	-1.0	-39.45	324.65	5.07	-34.38
CCC(CC)(NC(=O)C1=CC=C(C(=O)CF)C=C1)C1=NN=N[N-]1	REAL300019803601	1	40	-1.0	-39.45	324.72	5.09	-34.36
CCC(CC)(NC(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300019803602	0	44	-1.0	-38.36	357.51	4.63	-33.73
CCC(CC)(NC(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300019803602	1	44	-1.0	-38.38	357.58	4.64	-33.74
CCC(CC)(NC(=O)C1=CC(C2=CC=CC(C)=C2)=NO1)C1=NN=N[N-]1	REAL300019803603	0	44	-1.0	-36.25	355.26	6.23	-30.02
CCC(CC)(NC(=O)C1=CC(C2=CC=CC(C)=C2)=NO1)C1=N[N-]N=N1	REAL300019803603	1	44	-1.0	-36.22	355.19	6.22	-30.00
CCC(CC)(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=NN=N[N-]1	REAL300019803604	0	41	-1.0	-34.88	351.31	5.97	-28.91
CCC(CC)(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=N[N-]N=N1	REAL300019803604	1	41	-1.0	-34.84	351.25	5.95	-28.89
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=NN=N[N-]1	REAL300019803605	0	41	-1.0	-38.49	346.99	6.13	-32.36
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=N[N-]N=N1	REAL300019803605	1	41	-1.0	-38.42	346.92	6.11	-32.31
CCC(CC)(NC(=O)C(F)(F)C1=CN=NN1C)C1=NN=N[N-]1	REAL300019803606	0	37	-1.0	-33.73	305.14	1.53	-32.20
CCC(CC)(NC(=O)C(F)(F)C1=CN=NN1C)C1=N[N-]N=N1	REAL300019803606	1	37	-1.0	-33.75	305.07	1.52	-32.23
CCC(CC)(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1=N[N-]N=N1	REAL300019803607	0	54	-1.0	-41.18	420.26	3.45	-37.73
CCC(CC)(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1=NN=N[N-]1	REAL300019803607	1	54	-1.0	-41.14	420.32	3.46	-37.68
CCC(CC)(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL300019803608	0	50	-1.0	-37.05	351.41	3.01	-34.04
CCC(CC)(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL300019803608	1	50	-1.0	-37.09	351.48	3.02	-34.07
CCC(CC)(NC(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803609	0	52	-1.0	-40.30	386.62	4.45	-35.85
CCC(CC)(NC(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803609	1	52	-1.0	-40.33	386.69	4.46	-35.87
CCC(CC)(NC(=O)C1=CC2=NNC(=O)N2C=C1)C1=N[N-]N=N1	REAL300019803610	0	38	-1.0	-35.78	308.19	2.74	-33.04
CCC(CC)(NC(=O)C1=CC2=NNC(=O)N2C=C1)C1=NN=N[N-]1	REAL300019803610	1	38	-1.0	-35.80	308.25	2.75	-33.05
CCC(CC)(NC(=O)C1=CC=CN2C=NN=C12)C1=NN=N[N-]1	REAL300019803611	0	37	-1.0	-55.12	296.41	6.06	-49.06
CCC(CC)(NC(=O)C1=CC=CN2C=NN=C12)C1=N[N-]N=N1	REAL300019803611	1	37	-1.0	-55.15	296.34	6.04	-49.11
CCC(CC)(NC(=O)C1=C(C)C2=CC(C(F)(F)F)=CC=C2N1)C1=N[N-]N=N1	REAL300019803612	0	45	-1.0	-33.78	366.18	6.06	-27.72
CCC(CC)(NC(=O)C1=C(C)C2=CC(C(F)(F)F)=CC=C2N1)C1=NN=N[N-]1	REAL300019803612	1	45	-1.0	-33.77	366.24	6.07	-27.70
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC(C)=C2N1)C1=NN=N[N-]1	REAL300019803613	0	45	-1.0	-35.54	348.50	5.72	-29.82
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC(C)=C2N1)C1=N[N-]N=N1	REAL300019803613	1	45	-1.0	-35.52	348.43	5.71	-29.81
CCC(CC)(NC(=O)C1=C(C)NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019803614	0	46	-1.0	-38.99	357.89	6.54	-32.45
CCC(CC)(NC(=O)C1=C(C)NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019803614	1	46	-1.0	-38.99	357.95	6.54	-32.45
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019803615	0	49	-1.0	-38.98	379.26	7.27	-31.71
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019803615	1	49	-1.0	-38.97	379.32	7.27	-31.70
CCC1=CN2C(=N1)C=CC=C2C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803616	0	44	-1.0	-37.11	342.49	6.17	-30.94
CCC1=CN2C(=N1)C=CC=C2C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803616	1	44	-1.0	-37.15	342.42	6.16	-30.99
CCC(CC)(NC(=O)CC1CCCC(C#N)C1)C1=N[N-]N=N1	REAL300019803617	0	45	-1.0	-42.68	335.97	5.50	-37.18
CCC(CC)(NC(=O)CC1CCCC(C#N)C1)C1=NN=N[N-]1	REAL300019803617	1	45	-1.0	-42.73	336.03	5.51	-37.22
CCC(CC)(NC(=O)CC1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL300019803618	0	54	-1.0	-34.55	386.37	5.64	-28.91
CCC(CC)(NC(=O)CC1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL300019803618	1	54	-1.0	-34.52	386.43	5.66	-28.86
CCC(CC)(NC(=O)CC1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL300019803619	0	45	-1.0	-40.50	338.31	6.16	-34.34
CCC(CC)(NC(=O)CC1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL300019803619	1	45	-1.0	-40.52	338.38	6.16	-34.36
CCC(CC)(NC(=O)CCCCCN1C=NN=N1)C1=NN=N[N-]1	REAL300019803620	0	45	-1.0	-45.91	355.98	4.66	-41.25
CCC(CC)(NC(=O)CCCCCN1C=NN=N1)C1=N[N-]N=N1	REAL300019803620	1	45	-1.0	-45.87	355.91	4.65	-41.22
CCC(CC)(NC(=O)CCC1=NC=C(F)C=N1)C1=N[N-]N=N1	REAL300019803621	0	39	-1.0	-36.06	318.30	3.19	-32.87
CCC(CC)(NC(=O)CCC1=NC=C(F)C=N1)C1=NN=N[N-]1	REAL300019803621	1	39	-1.0	-36.03	318.37	3.20	-32.83
CCC(CC)(NC(=O)CCC1=CC=C(C#N)C=C1Br)C1=N[N-]N=N1	REAL300019803622	0	42	-1.0	-37.27	359.89	6.77	-30.50
CCC(CC)(NC(=O)CCC1=CC=C(C#N)C=C1Br)C1=NN=N[N-]1	REAL300019803622	1	42	-1.0	-37.29	359.96	6.78	-30.51
CCC(CC)(NC(=O)C1=CC=C2NC(=O)NCC2=C1)C1=N[N-]N=N1	REAL300019803623	0	42	-1.0	-38.22	329.34	1.64	-36.58
CCC(CC)(NC(=O)C1=CC=C2NC(=O)NCC2=C1)C1=NN=N[N-]1	REAL300019803623	1	42	-1.0	-38.18	329.40	1.64	-36.54
CCC(CC)(NC(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019803624	0	44	-1.0	-34.26	352.68	6.53	-27.73
CCC(CC)(NC(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019803624	1	44	-1.0	-34.21	352.75	6.55	-27.66
CCC(CC)(NC(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300019803625	0	41	-1.0	-41.62	333.11	4.60	-37.02
CCC(CC)(NC(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300019803625	1	41	-1.0	-41.61	333.04	4.60	-37.01
CCC(CC)(NC(=O)C1=COC2=C1CS(=O)(=O)C2)C1=N[N-]N=N1	REAL300019803626	0	39	-1.0	-42.28	323.77	0.45	-41.83
CCC(CC)(NC(=O)C1=COC2=C1CS(=O)(=O)C2)C1=NN=N[N-]1	REAL300019803626	1	39	-1.0	-42.30	323.83	0.46	-41.84
CCC(CC)(NC(=O)C1=CC=C(C2CCOC2)C=C1)C1=N[N-]N=N1	REAL300019803627	0	46	-1.0	-35.81	349.81	5.16	-30.65
CCC(CC)(NC(=O)C1=CC=C(C2CCOC2)C=C1)C1=NN=N[N-]1	REAL300019803627	1	46	-1.0	-35.87	349.87	5.16	-30.71
CCC(CC)(NC(=O)C(F)(F)C1=CSC=C1Br)C1=NN=N[N-]1	REAL300019803628	0	35	-1.0	-35.35	314.27	4.53	-30.82
CCC(CC)(NC(=O)C(F)(F)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019803628	1	35	-1.0	-35.35	314.20	4.52	-30.83
CCC(CC)([N-]C(=O)C(F)(F)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019803628	1	34	-2.0	-99.13	311.74	3.13	-96.00
CCC(CC)(NC(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=NN=N[N-]1	REAL300019803629	0	41	-1.0	-37.58	338.52	3.41	-34.17
CCC(CC)(NC(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=N[N-]N=N1	REAL300019803629	1	41	-1.0	-37.58	338.46	3.41	-34.17
CCC(CC)(NC(=O)C1=CN=CC2=C1CCCC2)C1=N[N-]N=N1	REAL300019803630	0	44	-1.0	-36.11	327.18	5.25	-30.86
CCC(CC)(NC(=O)C1=CN=CC2=C1CCCC2)C1=NN=N[N-]1	REAL300019803630	1	44	-1.0	-36.10	327.25	5.26	-30.84
CCC(CC)(NC(=O)C1=C2C(C)=CC=CN2N=C1)C1=NN=N[N-]1	REAL300019803631	0	41	-1.0	-41.15	316.62	4.86	-36.29
CCC(CC)(NC(=O)C1=C2C(C)=CC=CN2N=C1)C1=N[N-]N=N1	REAL300019803631	1	41	-1.0	-41.19	316.55	4.85	-36.34
C=CCNC(=O)C1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019803632	0	46	-1.0	-37.40	366.54	4.12	-33.28
C=CCNC(=O)C1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019803632	1	46	-1.0	-37.44	366.61	4.13	-33.31
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019803633	0	44	-1.0	-38.32	355.78	6.43	-31.89
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019803633	1	44	-1.0	-38.32	355.72	6.43	-31.89
CCC(CC)(NC(=O)C1=CC=CC2=CN=NN21)C1=NN=N[N-]1	REAL300019803634	0	37	-1.0	-51.46	295.25	3.15	-48.31
CCC(CC)(NC(=O)C1=CC=CC2=CN=NN21)C1=N[N-]N=N1	REAL300019803634	1	37	-1.0	-51.43	295.18	3.14	-48.29
CCC(CC)(NC(=O)C1=C(C)C2=CC=C(C)C=C2N1)C1=NN=N[N-]1	REAL300019803635	0	45	-1.0	-35.56	348.66	5.73	-29.83
CCC(CC)(NC(=O)C1=C(C)C2=CC=C(C)C=C2N1)C1=N[N-]N=N1	REAL300019803635	1	45	-1.0	-35.57	348.60	5.72	-29.85
CCC(CC)(NC(=O)C1=C(C)C2=CC([N+](=O)[O-])=CC=C2N1)C1=N[N-]N=N1	REAL300019803636	0	44	-1.0	-34.80	355.30	5.72	-29.08
CCC(CC)(NC(=O)C1=C(C)C2=CC([N+](=O)[O-])=CC=C2N1)C1=NN=N[N-]1	REAL300019803636	1	44	-1.0	-34.83	355.37	5.74	-29.09
CCC(CC)(NC(=O)C1=C(C)C2=CC=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL300019803637	0	42	-1.0	-34.12	343.93	5.56	-28.56
CCC(CC)(NC(=O)C1=C(C)C2=CC=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL300019803637	1	42	-1.0	-34.10	344.00	5.57	-28.53
CCC(CC)(NC(=O)C1=C(C)C2=CC=C(F)C=C2N1)C1=N[N-]N=N1	REAL300019803638	0	42	-1.0	-34.51	333.63	5.13	-29.38
CCC(CC)(NC(=O)C1=C(C)C2=CC=C(F)C=C2N1)C1=NN=N[N-]1	REAL300019803638	1	42	-1.0	-34.53	333.69	5.14	-29.39
CCC(CC)(NC(=O)C1=NC2=C(C)C=NN2C=C1)C1=NN=N[N-]1	REAL300019803639	0	40	-1.0	-39.11	321.64	4.19	-34.92
CCC(CC)(NC(=O)C1=NC2=C(C)C=NN2C=C1)C1=N[N-]N=N1	REAL300019803639	1	40	-1.0	-39.10	321.57	4.19	-34.91
CCC(CC)(NC(=O)C1=CC(Br)=CC(F)=C1F)C1=N[N-]N=N1	REAL300019803640	0	35	-1.0	-33.60	307.19	5.32	-28.28
CCC(CC)(NC(=O)C1=CC(Br)=CC(F)=C1F)C1=NN=N[N-]1	REAL300019803640	1	35	-1.0	-33.56	307.26	5.33	-28.23
CCC(CC)(NC(=O)C1=C2SN=CC2=CC=C1)C1=NN=N[N-]1	REAL300019803641	0	37	-1.0	-40.83	305.92	4.64	-36.19
CCC(CC)(NC(=O)C1=C2SN=CC2=CC=C1)C1=N[N-]N=N1	REAL300019803641	1	37	-1.0	-40.87	305.86	4.63	-36.24
CCC(CC)(NC(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803642	0	59	-1.0	-43.73	432.05	6.18	-37.55
CCC(CC)(NC(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803642	1	59	-1.0	-43.72	432.11	6.19	-37.53
CCC(CCC(=O)NC(CC)(CC)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019803643	0	57	-1.0	-36.83	422.09	4.31	-32.52
CCC(CCC(=O)NC(CC)(CC)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019803643	1	57	-1.0	-36.85	422.15	4.32	-32.53
CCC(CC)(NC(=O)C1=CC=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL300019803644	0	37	-1.0	-37.79	306.57	3.76	-34.03
CCC(CC)(NC(=O)C1=CC=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL300019803644	1	37	-1.0	-37.79	306.50	3.76	-34.03
CCC(CC)(NC(=O)C1=C2SC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL300019803645	0	38	-1.0	-34.74	316.71	5.86	-28.88
CCC(CC)(NC(=O)C1=C2SC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL300019803645	1	38	-1.0	-34.76	316.64	5.85	-28.91
CCC(CC)(NC(=O)C1=CC=C(C)C(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019803646	0	48	-1.0	-36.86	373.26	8.57	-28.29
CCC(CC)(NC(=O)C1=CC=C(C)C(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019803646	1	48	-1.0	-36.82	373.32	8.59	-28.23
CCC(CC)(NC(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019803647	0	55	-1.0	-39.43	418.22	4.23	-35.20
CCC(CC)(NC(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019803647	1	55	-1.0	-39.47	418.29	4.24	-35.23
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1C)C1=NN=N[N-]1	REAL300019803648	0	48	-1.0	-37.80	365.31	8.65	-29.15
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1C)C1=N[N-]N=N1	REAL300019803648	1	48	-1.0	-37.77	365.27	8.64	-29.13
CCC(CC)(NC(=O)C1=COC2=C(Br)C=CC=C12)C1=N[N-]N=N1	REAL300019803649	0	38	-1.0	-35.99	325.82	5.40	-30.59
CCC(CC)(NC(=O)C1=COC2=C(Br)C=CC=C12)C1=NN=N[N-]1	REAL300019803649	1	38	-1.0	-35.99	325.89	5.41	-30.58
CCC(CC)(NC(=O)C1=CC(OC)=CC(OC)=C1Cl)C1=N[N-]N=N1	REAL300019803650	0	43	-1.0	-39.05	346.59	3.59	-35.46
CCC(CC)(NC(=O)C1=CC(OC)=CC(OC)=C1Cl)C1=NN=N[N-]1	REAL300019803650	1	43	-1.0	-39.08	346.65	3.61	-35.47
CCC(CC)(NC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)C1=N[N-]N=N1	REAL300019803651	0	40	-1.0	-39.90	313.29	3.59	-36.31
CCC(CC)(NC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)C1=NN=N[N-]1	REAL300019803651	1	40	-1.0	-39.88	313.35	3.60	-36.28
CCC(CC)(NC(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019803652	0	45	-1.0	-37.01	365.92	7.53	-29.48
CCC(CC)(NC(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019803652	1	45	-1.0	-37.02	365.99	7.54	-29.48
CCC(CC)(NC(=O)C1CCCC2=C1N=CS2)C1=N[N-]N=N1	REAL300019803653	0	41	-1.0	-38.90	322.50	4.52	-34.38
CCC(CC)(NC(=O)C1CCCC2=C1N=CS2)C1=NN=N[N-]1	REAL300019803653	1	41	-1.0	-38.94	322.57	4.53	-34.41
CCC(CC)(NC(=O)C1CC(F)(F)CCC1(C)C)C1=N[N-]N=N1	REAL300019803654	0	47	-1.0	-34.58	337.44	5.62	-28.96
CCC(CC)(NC(=O)C1CC(F)(F)CCC1(C)C)C1=NN=N[N-]1	REAL300019803654	1	47	-1.0	-34.55	337.50	5.64	-28.91
CCC(CC)(NC(=O)C=CC1=NC=CC=C1C)C1=N[N-]N=N1	REAL300019803655	0	41	-1.0	-38.51	325.41	4.66	-33.85
CCC(CC)(NC(=O)C=CC1=NC=CC=C1C)C1=NN=N[N-]1	REAL300019803655	1	41	-1.0	-38.52	325.48	4.67	-33.85
CCC(CC)(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300019803656	0	47	-1.0	-39.75	375.18	7.28	-32.47
CCC(CC)(NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300019803656	1	47	-1.0	-39.77	375.11	7.28	-32.49
CCC(CC)(NC(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=N[N-]N=N1	REAL300019803657	0	45	-1.0	-37.54	363.60	7.38	-30.16
CCC(CC)(NC(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=NN=N[N-]1	REAL300019803657	1	45	-1.0	-37.53	363.67	7.38	-30.15
CCC(CC)(NC(=O)C1=CN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300019803658	0	34	-1.0	-31.39	303.59	2.87	-28.52
CCC(CC)(NC(=O)C1=CN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300019803658	1	34	-1.0	-31.44	303.52	2.86	-28.58
CCC(CC)(NC(=O)C1=C2C=C(OC)C=CC2=NN1)C1=NN=N[N-]1	REAL300019803659	0	42	-1.0	-38.47	332.16	2.45	-36.02
CCC(CC)(NC(=O)C1=C2C=C(OC)C=CC2=NN1)C1=N[N-]N=N1	REAL300019803659	1	42	-1.0	-38.47	332.10	2.44	-36.03
CCC(CC)(NC(=O)C1=C(C)C2=CC(OC)=CC=C2N1)C1=N[N-]N=N1	REAL300019803660	0	46	-1.0	-35.97	356.75	4.34	-31.63
CCC(CC)(NC(=O)C1=C(C)C2=CC(OC)=CC=C2N1)C1=NN=N[N-]1	REAL300019803660	1	46	-1.0	-36.00	356.82	4.36	-31.64
CCC(CC)(NC(=O)C(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019803661	0	34	-1.0	-36.38	304.61	3.98	-32.40
CCC(CC)(NC(=O)C(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL300019803661	1	34	-1.0	-36.34	304.67	3.98	-32.36
CCC(CC)(NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=N[N-]N=N1	REAL300019803662	0	44	-1.0	-34.61	350.70	6.55	-28.06
CCC(CC)(NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=NN=N[N-]1	REAL300019803662	1	44	-1.0	-34.61	350.76	6.56	-28.05
CCC(CC)(NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=N[N-]N=N1	REAL300019803663	0	45	-1.0	-40.38	355.44	3.99	-36.39
CCC(CC)(NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=NN=N[N-]1	REAL300019803663	1	45	-1.0	-40.41	355.51	4.00	-36.41
CCC(CC)(NC(=O)C1=CSC(Br)=C1Cl)C1=N[N-]N=N1	REAL300019803664	0	32	-1.0	-33.94	300.79	4.70	-29.24
CCC(CC)(NC(=O)C1=CSC(Br)=C1Cl)C1=NN=N[N-]1	REAL300019803664	1	32	-1.0	-33.96	300.86	4.70	-29.26
CCC(CC)(NC(=O)C1=C2C=CC=CN2N=N1)C1=NN=N[N-]1	REAL300019803665	0	37	-1.0	-46.93	299.57	2.81	-44.12
CCC(CC)(NC(=O)C1=C2C=CC=CN2N=N1)C1=N[N-]N=N1	REAL300019803665	1	37	-1.0	-46.96	299.51	2.80	-44.16
CCC(CC)(NC(=O)CC1CCC(C)C(C)C1)C1=N[N-]N=N1	REAL300019803666	0	50	-1.0	-34.15	358.37	6.48	-27.67
CCC(CC)(NC(=O)CC1CCC(C)C(C)C1)C1=NN=N[N-]1	REAL300019803666	1	50	-1.0	-34.14	358.43	6.49	-27.65
CCC(CC)(NC(=O)C1=NC=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL300019803667	0	39	-1.0	-38.67	309.08	3.08	-35.59
CCC(CC)(NC(=O)C1=NC=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL300019803667	1	39	-1.0	-38.67	309.02	3.06	-35.61
CCN(CCC(=O)NC(CC)(CC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019803668	0	54	-1.0	-38.51	404.69	5.39	-33.12
CCN(CCC(=O)NC(CC)(CC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019803668	1	54	-1.0	-38.50	404.76	5.40	-33.10
CCC(CC)(NC(=O)C(F)(F)CCN1C=CN=N1)C1=NN=N[N-]1	REAL300019803669	0	40	-1.0	-39.12	328.51	2.81	-36.31
CCC(CC)(NC(=O)C(F)(F)CCN1C=CN=N1)C1=N[N-]N=N1	REAL300019803669	1	40	-1.0	-39.11	328.45	2.79	-36.32
CCC(CC)(NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL300019803670	0	41	-1.0	-33.04	328.31	5.61	-27.43
CCC(CC)(NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL300019803670	1	41	-1.0	-33.05	328.25	5.60	-27.45
CCC(CC)(NC(=O)C(F)(F)CCN1C=CC=N1)C1=NN=N[N-]1	REAL300019803671	0	41	-1.0	-36.41	334.71	4.03	-32.38
CCC(CC)(NC(=O)C(F)(F)CCN1C=CC=N1)C1=N[N-]N=N1	REAL300019803671	1	41	-1.0	-36.42	334.64	4.01	-32.41
CCC(CC)(NC(=O)CC1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL300019803672	0	44	-1.0	-42.19	338.99	1.40	-40.79
CCC(CC)(NC(=O)CC1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL300019803672	1	44	-1.0	-42.20	339.05	1.42	-40.78
CCC(CC)(NC(=O)C1=CN(CC(F)F)N=C1)C1=NN=N[N-]1	REAL300019803673	0	38	-1.0	-37.79	314.65	3.45	-34.34
CCC(CC)(NC(=O)C1=CN(CC(F)F)N=C1)C1=N[N-]N=N1	REAL300019803673	1	38	-1.0	-37.75	314.59	3.45	-34.30
CCC(CC)(NC(=O)CC=CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019803674	0	45	-1.0	-36.40	352.94	7.11	-29.29
CCC(CC)(NC(=O)CC=CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019803674	1	45	-1.0	-36.44	353.00	7.12	-29.32
CCC(CC)(NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=N[N-]N=N1	REAL300019803675	0	40	-1.0	-42.45	327.01	0.13	-42.32
CCC(CC)(NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=NN=N[N-]1	REAL300019803675	1	40	-1.0	-42.43	327.08	0.14	-42.29
CCC(CC)(NC(=O)C1CCCN2C=NN=C12)C1=N[N-]N=N1	REAL300019803676	0	41	-1.0	-47.85	313.84	5.35	-42.50
CCC(CC)(NC(=O)C1CCCN2C=NN=C12)C1=NN=N[N-]1	REAL300019803676	1	41	-1.0	-47.83	313.91	5.36	-42.47
CCC(CC)(NC(=O)C1=CC(Br)=C(OC)C=C1F)C1=N[N-]N=N1	REAL300019803677	0	39	-1.0	-36.43	330.19	4.48	-31.95
CCC(CC)(NC(=O)C1=CC(Br)=C(OC)C=C1F)C1=NN=N[N-]1	REAL300019803677	1	39	-1.0	-36.44	330.25	4.50	-31.94
CCC(CC)(NC(=O)C1=CC=CC(C(C)C)=C1F)C1=N[N-]N=N1	REAL300019803678	0	44	-1.0	-38.20	338.41	6.50	-31.70
CCC(CC)(NC(=O)C1=CC=CC(C(C)C)=C1F)C1=NN=N[N-]1	REAL300019803678	1	44	-1.0	-38.21	338.48	6.50	-31.71
CCC(CC)(NC(=O)C1=CC(C(C)C)=CC=C1F)C1=N[N-]N=N1	REAL300019803679	0	44	-1.0	-37.36	339.77	6.54	-30.82
CCC(CC)(NC(=O)C1=CC(C(C)C)=CC=C1F)C1=NN=N[N-]1	REAL300019803679	1	44	-1.0	-37.39	339.84	6.55	-30.84
CCC(CC)(NC(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019803680	0	41	-1.0	-38.89	324.85	6.87	-32.02
CCC(CC)(NC(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019803680	1	41	-1.0	-38.87	324.79	6.87	-32.00
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=N[N-]N=N1	REAL300019803681	0	41	-1.0	-35.86	335.54	6.11	-29.75
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=NN=N[N-]1	REAL300019803681	1	41	-1.0	-35.88	335.61	6.13	-29.75
CCC(CC)(NC(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019803682	0	48	-1.0	-34.63	381.31	6.14	-28.49
CCC(CC)(NC(=O)CC(C)C1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019803682	1	48	-1.0	-34.62	381.37	6.16	-28.46
CCC(CC)(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CS2)C1=N[N-]N=N1	REAL300019803683	0	42	-1.0	-41.30	355.85	4.09	-37.21
CCC(CC)(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CS2)C1=NN=N[N-]1	REAL300019803683	1	42	-1.0	-41.29	355.91	4.10	-37.19
CCC(CC)(NC(=O)C1=CC2=C(C=C(C(=O)OC)S2)N1)C1=N[N-]N=N1	REAL300019803684	0	42	-1.0	-35.55	356.09	4.23	-31.32
CCC(CC)(NC(=O)C1=CC2=C(C=C(C(=O)OC)S2)N1)C1=NN=N[N-]1	REAL300019803684	1	42	-1.0	-35.50	356.16	4.24	-31.26
CCC(CC)(NC(=O)C(F)(F)C1=CN=CC=N1)C1=NN=N[N-]1	REAL300019803685	0	36	-1.0	-37.32	298.76	2.24	-35.08
CCC(CC)(NC(=O)C(F)(F)C1=CN=CC=N1)C1=N[N-]N=N1	REAL300019803685	1	36	-1.0	-37.27	298.70	2.23	-35.04
CCC(CC)(NC(=O)C#CC1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019803686	0	41	-1.0	-36.85	337.09	5.11	-31.74
CCC(CC)(NC(=O)C#CC1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019803686	1	41	-1.0	-36.87	337.15	5.13	-31.74
CCC(CC)(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803687	0	58	-1.0	-36.78	427.30	4.48	-32.30
CCC(CC)(NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803687	1	58	-1.0	-36.77	427.37	4.50	-32.27
CCC(CC)(NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803688	0	51	-1.0	-37.93	394.77	2.71	-35.22
CCC(CC)(NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803688	1	51	-1.0	-37.90	394.83	2.72	-35.18
CCC(CC)(NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=N[N-]N=N1	REAL300019803689	0	45	-1.0	-37.80	358.38	4.11	-33.69
CCC(CC)(NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=NN=N[N-]1	REAL300019803689	1	45	-1.0	-37.77	358.45	4.12	-33.65
CCC(CC)(NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019803690	0	49	-1.0	-37.54	373.39	8.07	-29.47
CCC(CC)(NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019803690	1	49	-1.0	-37.55	373.47	8.08	-29.47
CCC(CC)(NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019803691	0	49	-1.0	-37.69	374.32	7.96	-29.73
CCC(CC)(NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019803691	1	49	-1.0	-37.72	374.38	7.97	-29.75
CCC(CC)(NC(=O)C(COC)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300019803692	0	49	-1.0	-37.11	394.72	6.02	-31.09
CCC(CC)(NC(=O)C(COC)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300019803692	1	49	-1.0	-37.10	394.79	6.03	-31.07
CCC(CC)(NC(=O)C1=CC2=CN=CN=C2N1)C1=NN=N[N-]1	REAL300019803693	0	37	-1.0	-36.09	299.19	3.49	-32.60
CCC(CC)(NC(=O)C1=CC2=CN=CN=C2N1)C1=N[N-]N=N1	REAL300019803693	1	37	-1.0	-36.05	299.13	3.48	-32.57
CCC(CC)(NC(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=N[N-]N=N1	REAL300019803694	0	48	-1.0	-37.65	381.05	3.76	-33.89
CCC(CC)(NC(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1)C1=NN=N[N-]1	REAL300019803694	1	48	-1.0	-37.60	381.12	3.76	-33.84
CCC(CC)(NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=N[N-]N=N1	REAL300019803695	0	44	-1.0	-34.74	350.62	6.55	-28.19
CCC(CC)(NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=NN=N[N-]1	REAL300019803695	1	44	-1.0	-34.71	350.69	6.57	-28.14
CCC(CC)(NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=N[N-]N=N1	REAL300019803696	0	45	-1.0	-45.05	361.38	4.88	-40.17
CCC(CC)(NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=NN=N[N-]1	REAL300019803696	1	45	-1.0	-45.04	361.44	4.89	-40.15
CCN1C(C)=NN(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C1=O	REAL300019803697	0	44	-1.0	-46.28	351.27	4.33	-41.95
CCN1C(C)=NN(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C1=O	REAL300019803697	1	44	-1.0	-46.29	351.33	4.34	-41.95
CCC(CC)(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=N[N-]N=N1	REAL300019803698	0	49	-1.0	-36.96	371.99	8.31	-28.65
CCC(CC)(NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=NN=N[N-]1	REAL300019803698	1	49	-1.0	-36.95	372.06	8.32	-28.63
CCC(CC)(NC(=O)C1=CC(Br)=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300019803699	0	38	-1.0	-34.70	327.03	6.25	-28.45
CCC(CC)(NC(=O)C1=CC(Br)=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300019803699	1	38	-1.0	-34.70	327.09	6.25	-28.45
CCC(CC)(NC(=O)C1=CC(C2CC2)=CC=N1)C1=N[N-]N=N1	REAL300019803700	0	41	-1.0	-38.47	322.53	4.83	-33.64
CCC(CC)(NC(=O)C1=CC(C2CC2)=CC=N1)C1=NN=N[N-]1	REAL300019803700	1	41	-1.0	-38.50	322.60	4.84	-33.66
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=N[N-]N=N1	REAL300019803701	0	37	-1.0	-40.52	322.75	-1.54	-42.06
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=NN=N[N-]1	REAL300019803701	1	37	-1.0	-40.54	322.82	-1.54	-42.08
CCC(CC)(NC(=O)C1=CN=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL300019803702	0	43	-1.0	-35.59	336.56	2.11	-33.48
CCC(CC)(NC(=O)C1=CN=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL300019803702	1	43	-1.0	-35.57	336.49	2.10	-33.47
CCC(CC)(NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=N[N-]N=N1	REAL300019803703	0	40	-1.0	-45.69	321.93	2.00	-43.69
CCC(CC)(NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=NN=N[N-]1	REAL300019803703	1	40	-1.0	-45.67	322.00	2.00	-43.67
CCC(CC)(NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300019803704	0	49	-1.0	-46.19	386.83	6.11	-40.08
CCC(CC)(NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300019803704	1	49	-1.0	-46.17	386.90	6.12	-40.05
CCC(CC)(NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=N[N-]N=N1	REAL300019803705	0	47	-1.0	-42.92	381.12	7.38	-35.54
CCC(CC)(NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=NN=N[N-]1	REAL300019803705	1	47	-1.0	-42.93	381.19	7.40	-35.53
CCC(CC)(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C1=N[N-]N=N1	REAL300019803706	0	55	-1.0	-35.54	408.31	2.64	-32.90
CCC(CC)(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C1=NN=N[N-]1	REAL300019803706	1	55	-1.0	-35.48	408.34	2.65	-32.83
CCC(CC)(NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803707	0	58	-1.0	-37.37	427.45	5.73	-31.64
CCC(CC)(NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803707	1	58	-1.0	-37.37	427.52	5.75	-31.62
CCC(C)C1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C(=O)N1	REAL300019803708	0	47	-1.0	-49.05	356.31	4.43	-44.62
CCC(C)C1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C(=O)N1	REAL300019803708	1	47	-1.0	-49.08	356.37	4.44	-44.64
CCC(CC)(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=N[N-]N=N1	REAL300019803709	0	57	-1.0	-35.94	422.30	8.51	-27.43
CCC(CC)(NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=NN=N[N-]1	REAL300019803709	1	57	-1.0	-36.00	422.37	8.52	-27.48
CCC(CC)(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300019803710	0	45	-1.0	-35.05	362.85	6.70	-28.35
CCC(CC)(NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300019803710	1	45	-1.0	-35.05	362.91	6.71	-28.34
CCC(CC)(NC(=O)C1COC2=CC=C(Br)C=C2C1)C1=N[N-]N=N1	REAL300019803711	0	43	-1.0	-33.46	351.79	5.57	-27.89
CCC(CC)(NC(=O)C1COC2=CC=C(Br)C=C2C1)C1=NN=N[N-]1	REAL300019803711	1	43	-1.0	-33.48	351.86	5.58	-27.90
CCC(CC)(NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300019803712	0	48	-1.0	-36.37	367.54	6.85	-29.52
CCC(CC)(NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300019803712	1	48	-1.0	-36.40	367.61	6.87	-29.53
CCC(CC)(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=N[N-]N=N1	REAL300019803713	0	48	-1.0	-40.98	372.59	0.72	-40.26
CCC(CC)(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=NN=N[N-]1	REAL300019803713	1	48	-1.0	-40.94	372.65	0.73	-40.21
CCC(CC)(NC(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019803714	0	41	-1.0	-35.45	333.32	7.32	-28.13
CCC(CC)(NC(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019803714	1	41	-1.0	-35.47	333.25	7.32	-28.15
CCC(CC)(NC(=O)CC1CCC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019803715	0	45	-1.0	-34.15	363.21	7.51	-26.64
CCC(CC)(NC(=O)CC1CCC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019803715	1	45	-1.0	-34.18	363.27	7.53	-26.65
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300019803716	0	44	-1.0	-35.96	350.90	6.26	-29.70
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019803716	1	44	-1.0	-35.94	350.84	6.26	-29.68
CCC(CC)(NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=NN=N[N-]1	REAL300019803717	0	33	-1.0	-33.76	310.45	2.86	-30.90
CCC(CC)(NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=N[N-]N=N1	REAL300019803717	1	33	-1.0	-33.76	310.38	2.85	-30.91
CCC(CC)(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CO2)C1=N[N-]N=N1	REAL300019803718	0	42	-1.0	-41.66	347.24	3.22	-38.44
CCC(CC)(NC(=O)C1=CC2=C(N1)C(C(=O)OC)=CO2)C1=NN=N[N-]1	REAL300019803718	1	42	-1.0	-41.70	347.30	3.24	-38.46
CCC(CC)(NC(=O)C1=CC2=C(C)C=C(C(=O)OC)C=C2N1)C1=N[N-]N=N1	REAL300019803719	0	48	-1.0	-37.01	384.20	5.77	-31.24
CCC(CC)(NC(=O)C1=CC2=C(C)C=C(C(=O)OC)C=C2N1)C1=NN=N[N-]1	REAL300019803719	1	48	-1.0	-37.01	384.26	5.77	-31.24
CCC(CC)(NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=N[N-]N=N1	REAL300019803720	0	40	-1.0	-47.00	336.85	3.13	-43.87
CCC(CC)(NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=NN=N[N-]1	REAL300019803720	1	40	-1.0	-47.03	336.92	3.15	-43.88
CCC(CC)(NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=N[N-]N=N1	REAL300019803721	0	46	-1.0	-36.98	365.44	6.81	-30.17
CCC(CC)(NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=NN=N[N-]1	REAL300019803721	1	46	-1.0	-36.94	365.50	6.82	-30.12
CCC(CC)(NC(=O)C1=CC=CC(C(=O)OC)=C1C)C1=N[N-]N=N1	REAL300019803722	0	44	-1.0	-37.27	339.98	5.75	-31.52
CCC(CC)(NC(=O)C1=CC=CC(C(=O)OC)=C1C)C1=NN=N[N-]1	REAL300019803722	1	44	-1.0	-37.26	340.05	5.76	-31.50
C=CCCC(CC(C)C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803723	0	50	-1.0	-34.15	363.87	6.48	-27.67
C=CCCC(CC(C)C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803723	1	50	-1.0	-34.13	363.94	6.48	-27.65
CCC(CC)(NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019803724	0	48	-1.0	-40.97	381.06	7.00	-33.97
CCC(CC)(NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019803724	1	48	-1.0	-40.99	381.12	7.01	-33.98
CCC(CC)(NC(=O)C1=NOC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803725	0	45	-1.0	-35.34	340.56	3.53	-31.81
CCC(CC)(NC(=O)C1=NOC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803725	1	45	-1.0	-35.36	340.62	3.54	-31.82
CCC(CC)(NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=N[N-]N=N1	REAL300019803726	0	42	-1.0	-36.15	340.83	6.86	-29.29
CCC(CC)(NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=NN=N[N-]1	REAL300019803726	1	42	-1.0	-36.12	340.89	6.88	-29.24
CCC(CC)(NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=N[N-]N=N1	REAL300019803727	0	42	-1.0	-42.66	331.61	5.39	-37.27
CCC(CC)(NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=NN=N[N-]1	REAL300019803727	1	42	-1.0	-42.65	331.68	5.40	-37.25
CCC(CC)(NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=N[N-]N=N1	REAL300019803728	0	41	-1.0	-35.02	339.02	4.99	-30.03
CCC(CC)(NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=NN=N[N-]1	REAL300019803728	1	41	-1.0	-35.01	339.08	5.01	-30.00
CCC(CC)(NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=N[N-]N=N1	REAL300019803729	0	40	-1.0	-42.91	320.39	2.18	-40.73
CCC(CC)(NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=NN=N[N-]1	REAL300019803729	1	40	-1.0	-42.94	320.46	2.18	-40.76
CCC(CC)(NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300019803730	0	38	-1.0	-44.14	321.28	5.11	-39.03
CCC(CC)(NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300019803730	1	38	-1.0	-44.16	321.21	5.10	-39.06
CCC(CC)(NC(=O)CCCCC1CSSC1)C1=N[N-]N=N1	REAL300019803731	0	46	-1.0	-38.03	368.34	7.61	-30.42
CCC(CC)(NC(=O)CCCCC1CSSC1)C1=NN=N[N-]1	REAL300019803731	1	46	-1.0	-38.00	368.40	7.62	-30.38
CCC(CC)(NC(=O)C1CCN(C(=O)NC)CC1)C1=N[N-]N=N1	REAL300019803732	0	47	-1.0	-40.71	351.14	2.43	-38.28
CCC(CC)(NC(=O)C1CCN(C(=O)NC)CC1)C1=NN=N[N-]1	REAL300019803732	1	47	-1.0	-40.72	351.21	2.44	-38.28
CCC(CC)(NC(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL300019803733	0	40	-1.0	-35.33	326.34	5.47	-29.86
CCC(CC)(NC(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL300019803733	1	40	-1.0	-35.33	326.27	5.46	-29.87
CCC(CC)(NC(=O)C1=CC(C)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019803734	0	43	-1.0	-43.31	336.36	5.92	-37.39
CCC(CC)(NC(=O)C1=CC(C)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019803734	1	43	-1.0	-43.28	336.29	5.90	-37.38
CCC(CC)(NC(=O)C1=CN=C2N=CC=CN12)C1=NN=N[N-]1	REAL300019803735	0	37	-1.0	-38.55	293.93	5.58	-32.97
CCC(CC)(NC(=O)C1=CN=C2N=CC=CN12)C1=N[N-]N=N1	REAL300019803735	1	37	-1.0	-38.57	293.87	5.57	-33.00
CCC(CC)(NC(=O)CC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300019803736	0	35	-1.0	-34.63	312.19	4.85	-29.78
CCC(CC)(NC(=O)CC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300019803736	1	35	-1.0	-34.64	312.26	4.87	-29.77
CCC(CC)(NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019803737	0	46	-1.0	-38.03	378.63	8.42	-29.61
CCC(CC)(NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019803737	1	46	-1.0	-38.05	378.69	8.44	-29.61
CCC(CC)(NC(=O)C1=CC=CC(C2(OC)COC2)=C1)C1=N[N-]N=N1	REAL300019803738	0	47	-1.0	-38.09	355.56	3.86	-34.23
CCC(CC)(NC(=O)C1=CC=CC(C2(OC)COC2)=C1)C1=NN=N[N-]1	REAL300019803738	1	47	-1.0	-38.11	355.63	3.86	-34.25
CCC(CC)(NC(=O)C1=C2C=CN(CCOC)C2=CC=C1)C1=N[N-]N=N1	REAL300019803739	0	49	-1.0	-40.06	382.91	6.13	-33.93
CCC(CC)(NC(=O)C1=C2C=CN(CCOC)C2=CC=C1)C1=NN=N[N-]1	REAL300019803739	1	49	-1.0	-40.03	382.98	6.14	-33.89
CCC(CC)(NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=NN=N[N-]1	REAL300019803740	0	48	-1.0	-40.18	366.59	7.67	-32.51
CCC(CC)(NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=N[N-]N=N1	REAL300019803740	1	48	-1.0	-40.16	366.52	7.66	-32.50
CCC(CC)(NC(=O)[C@H](C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019803741	0	41	-1.0	-34.79	322.82	5.74	-29.05
CCC(CC)(NC(=O)[C@H](C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019803741	1	41	-1.0	-34.79	322.89	5.75	-29.04
CCC(CC(=O)NC(CC)(CC)C1=N[N-]N=N1)CC(F)(F)F	REAL300019803742	0	43	-1.0	-35.93	326.21	4.91	-31.02
CCC(CC(=O)NC(CC)(CC)C1=NN=N[N-]1)CC(F)(F)F	REAL300019803742	1	43	-1.0	-35.95	326.28	4.93	-31.02
CCC(CC)(NC(=O)C1=CC=NN1CC1CC1)C1=NN=N[N-]1	REAL300019803743	0	42	-1.0	-34.04	328.92	4.57	-29.47
CCC(CC)(NC(=O)C1=CC=NN1CC1CC1)C1=N[N-]N=N1	REAL300019803743	1	42	-1.0	-34.02	328.83	4.56	-29.46
CCC(CC)(NC(=O)C1CCC(F)(F)CO1)C1=N[N-]N=N1	REAL300019803744	0	39	-1.0	-36.71	305.75	3.65	-33.06
CCC(CC)(NC(=O)C1CCC(F)(F)CO1)C1=NN=N[N-]1	REAL300019803744	1	39	-1.0	-36.72	305.81	3.66	-33.06
CCC(CC)(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=NN=N[N-]1	REAL300019803745	0	41	-1.0	-33.97	346.37	5.85	-28.12
CCC(CC)(NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=N[N-]N=N1	REAL300019803745	1	41	-1.0	-33.92	346.31	5.84	-28.08
CCC(CC)(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=NN=N[N-]1	REAL300019803746	0	41	-1.0	-33.65	356.69	6.30	-27.35
CCC(CC)(NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=N[N-]N=N1	REAL300019803746	1	41	-1.0	-33.61	356.63	6.30	-27.31
CCC(CC)(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL300019803747	0	41	-1.0	-33.88	356.70	6.30	-27.58
CCC(CC)(NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL300019803747	1	41	-1.0	-33.88	356.63	6.30	-27.58
CCC(CC)(NC(=O)CC1=CC=C(C(=O)C2=CC=C(C)C=C2)N1C)C1=N[N-]N=N1	REAL300019803748	0	54	-1.0	-40.60	421.00	8.28	-32.32
CCC(CC)(NC(=O)CC1=CC=C(C(=O)C2=CC=C(C)C=C2)N1C)C1=NN=N[N-]1	REAL300019803748	1	54	-1.0	-40.60	421.07	8.29	-32.31
CCC(CC)(NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL300019803749	0	42	-1.0	-32.75	337.99	5.12	-27.63
CCC(CC)(NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL300019803749	1	42	-1.0	-32.83	338.06	5.13	-27.70
CCC(CC)(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300019803750	0	54	-1.0	-40.99	421.07	3.17	-37.82
CCC(CC)(NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL300019803750	1	54	-1.0	-40.99	421.13	3.18	-37.81
CCC(CC)(NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803751	0	58	-1.0	-36.82	427.30	4.48	-32.34
CCC(CC)(NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803751	1	58	-1.0	-36.84	427.37	4.50	-32.34
CCC(CC)(NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=N[N-]N=N1	REAL300019803752	0	35	-1.0	-34.48	302.05	5.19	-29.29
CCC(CC)(NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=NN=N[N-]1	REAL300019803752	1	35	-1.0	-34.48	302.12	5.19	-29.29
CCC(CC)(NC(=O)C1=CC=C(CC(=O)OC)C=C1)C1=N[N-]N=N1	REAL300019803753	0	44	-1.0	-40.82	352.78	5.88	-34.94
CCC(CC)(NC(=O)C1=CC=C(CC(=O)OC)C=C1)C1=NN=N[N-]1	REAL300019803753	1	44	-1.0	-40.83	352.85	5.89	-34.94
CCC(CC)(NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803754	0	61	-1.0	-35.59	450.40	3.38	-32.21
CCC(CC)(NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803754	1	61	-1.0	-35.60	450.46	3.39	-32.21
CCC(CC)(NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=N[N-]N=N1	REAL300019803755	0	37	-1.0	-31.51	303.67	2.98	-28.53
CCC(CC)(NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=NN=N[N-]1	REAL300019803755	1	37	-1.0	-31.54	303.74	2.98	-28.56
CCC(CC)(NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803756	0	58	-1.0	-43.06	423.22	6.04	-37.02
CCC(CC)(NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803756	1	58	-1.0	-42.98	423.29	6.05	-36.93
CCC(CC)(NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803757	0	52	-1.0	-45.08	385.05	4.90	-40.18
CCC(CC)(NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803757	1	52	-1.0	-45.10	385.11	4.91	-40.19
CCC(CC)(NC(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803758	0	60	-1.0	-35.53	431.22	5.59	-29.94
CCC(CC)(NC(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803758	1	60	-1.0	-35.50	431.28	5.60	-29.90
CCC(CC)(NC(=O)C(CCOC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803759	0	61	-1.0	-41.48	454.72	4.11	-37.37
CCC(CC)(NC(=O)C(CCOC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803759	1	61	-1.0	-41.43	454.79	4.12	-37.31
CCC(CC)(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019803760	0	51	-1.0	-40.00	403.36	-0.43	-40.43
CCC(CC)(NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019803760	1	51	-1.0	-40.00	403.42	-0.42	-40.42
CCC(CC)(NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=N[N-]N=N1	REAL300019803761	0	43	-1.0	-36.26	342.78	5.59	-30.67
CCC(CC)(NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=NN=N[N-]1	REAL300019803761	1	43	-1.0	-36.25	342.85	5.59	-30.66
CCC(CC)(NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=N[N-]N=N1	REAL300019803762	0	45	-1.0	-45.57	356.26	3.10	-42.47
CCC(CC)(NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=NN=N[N-]1	REAL300019803762	1	45	-1.0	-45.56	356.33	3.11	-42.45
CCC(CC)(NC(=O)C1=NN2CC(F)CC2=C1)C1=N[N-]N=N1	REAL300019803763	0	39	-1.0	-44.66	311.79	3.14	-41.52
CCC(CC)(NC(=O)C1=NN2CC(F)CC2=C1)C1=NN=N[N-]1	REAL300019803763	1	39	-1.0	-44.66	311.86	3.16	-41.50
CCC(CC)(NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=N[N-]N=N1	REAL300019803764	0	36	-1.0	-35.19	311.75	3.07	-32.12
CCC(CC)(NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=NN=N[N-]1	REAL300019803764	1	36	-1.0	-35.19	311.81	3.08	-32.11
CCC(CC)(NC(=O)C1=CC2=C(C=C(C)O2)N1)C1=N[N-]N=N1	REAL300019803765	0	39	-1.0	-36.36	311.94	3.27	-33.09
CCC(CC)(NC(=O)C1=CC2=C(C=C(C)O2)N1)C1=NN=N[N-]1	REAL300019803765	1	39	-1.0	-36.38	312.01	3.28	-33.10
CCC(CC)(NC(=O)C1=NC2=CC(C(C)C)=CNC2=C1)C1=N[N-]N=N1	REAL300019803766	0	47	-1.0	-54.80	365.76	4.48	-50.32
CCC(CC)(NC(=O)C1=NC2=CC(C(C)C)=CNC2=C1)C1=NN=N[N-]1	REAL300019803766	1	47	-1.0	-54.82	365.82	4.49	-50.33
CCC(CC)(NC(=O)CC1=CC2=C(C=C1Br)OCO2)C1=N[N-]N=N1	REAL300019803767	0	41	-1.0	-37.22	344.18	4.26	-32.96
CCC(CC)(NC(=O)CC1=CC2=C(C=C1Br)OCO2)C1=NN=N[N-]1	REAL300019803767	1	41	-1.0	-37.23	344.25	4.27	-32.96
CCC(CC)(NC(=O)C1=NC2=CC(Br)=CNC2=N1)C1=N[N-]N=N1	REAL300019803768	0	37	-1.0	-53.66	321.80	3.06	-50.60
CCC(CC)(NC(=O)C1=NC2=CC(Br)=CNC2=N1)C1=NN=N[N-]1	REAL300019803768	1	37	-1.0	-53.66	321.87	3.08	-50.58
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803769	0	58	-1.0	-35.17	433.61	2.71	-32.46
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803769	1	58	-1.0	-35.24	433.68	2.72	-32.52
C#CCC1(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019803770	0	57	-1.0	-41.73	428.20	6.45	-35.28
C#CCC1(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019803770	1	57	-1.0	-41.71	428.27	6.47	-35.24
CCOC1=CC(Br)=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1N	REAL300019803771	0	44	-1.0	-34.35	357.97	3.60	-30.75
CCOC1=CC(Br)=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1N	REAL300019803771	1	44	-1.0	-34.39	358.03	3.61	-30.78
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019803772	0	42	-1.0	-37.09	346.69	6.96	-30.13
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019803772	1	42	-1.0	-37.10	346.75	6.98	-30.12
CCC(CC)(NC(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=N[N-]N=N1	REAL300019803773	0	55	-1.0	-37.04	418.61	3.74	-33.30
CCC(CC)(NC(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=NN=N[N-]1	REAL300019803773	1	55	-1.0	-37.07	418.67	3.75	-33.32
C=CCN(CCC(=O)NC(CC)(CC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019803774	0	55	-1.0	-38.37	418.13	5.95	-32.42
C=CCN(CCC(=O)NC(CC)(CC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019803774	1	55	-1.0	-38.39	418.19	5.96	-32.43
CCC(CC)(NC(=O)C(CC(C)C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803775	0	58	-1.0	-40.69	430.25	5.54	-35.15
CCC(CC)(NC(=O)C(CC(C)C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803775	1	58	-1.0	-40.68	430.31	5.55	-35.13
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019803776	0	44	-1.0	-36.56	333.25	7.40	-29.16
CCC(CC)(NC(=O)C1=C(C)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019803776	1	44	-1.0	-36.66	333.21	7.39	-29.27
CCC(CC)(NC(=O)CCC1=CC=CC(OC)=N1)C1=N[N-]N=N1	REAL300019803777	0	44	-1.0	-37.20	348.29	2.67	-34.53
CCC(CC)(NC(=O)CCC1=CC=CC(OC)=N1)C1=NN=N[N-]1	REAL300019803777	1	44	-1.0	-37.25	348.36	2.69	-34.56
CCC(CC)(NC(=O)C1=NN(C)C2=C1COCC2)C1=N[N-]N=N1	REAL300019803778	0	43	-1.0	-42.10	332.25	2.30	-39.80
CCC(CC)(NC(=O)C1=NN(C)C2=C1COCC2)C1=NN=N[N-]1	REAL300019803778	1	43	-1.0	-42.13	332.32	2.31	-39.82
CCC(CC)(NC(=O)[C@H](C)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019803779	0	44	-1.0	-35.07	337.04	6.45	-28.62
CCC(CC)(NC(=O)[C@H](C)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019803779	1	44	-1.0	-35.08	337.10	6.45	-28.63
CCC(CC)(NC(=O)C1=CN=C(OC)C=C1C)C1=N[N-]N=N1	REAL300019803780	0	41	-1.0	-34.81	319.25	1.86	-32.95
CCC(CC)(NC(=O)C1=CN=C(OC)C=C1C)C1=NN=N[N-]1	REAL300019803780	1	41	-1.0	-34.78	319.32	1.87	-32.91
CCC(CC)(NC(=O)C1=CC2=C(C=CS2)N1C)C1=NN=N[N-]1	REAL300019803781	0	39	-1.0	-36.51	317.56	5.07	-31.44
CCC(CC)(NC(=O)C1=CC2=C(C=CS2)N1C)C1=N[N-]N=N1	REAL300019803781	1	39	-1.0	-36.46	317.50	5.05	-31.41
CCC(CC)(NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=N[N-]N=N1	REAL300019803782	0	41	-1.0	-39.39	330.59	3.92	-35.47
CCC(CC)(NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=NN=N[N-]1	REAL300019803782	1	41	-1.0	-39.41	330.65	3.92	-35.49
CCC(CC)(NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=N[N-]N=N1	REAL300019803783	0	45	-1.0	-38.14	344.49	4.89	-33.25
CCC(CC)(NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=NN=N[N-]1	REAL300019803783	1	45	-1.0	-38.16	344.56	4.90	-33.26
CCC(CC)(NC(=O)C1=C2CCCCC2=CN1)C1=N[N-]N=N1	REAL300019803784	0	43	-1.0	-36.34	323.71	4.71	-31.63
CCC(CC)(NC(=O)C1=C2CCCCC2=CN1)C1=NN=N[N-]1	REAL300019803784	1	43	-1.0	-36.37	323.77	4.73	-31.64
CCC(CC)(NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803785	0	56	-1.0	-38.58	421.48	2.12	-36.46
CCC(CC)(NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803785	1	56	-1.0	-38.58	421.53	2.12	-36.46
CCC(CC)(NC(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803786	0	55	-1.0	-36.72	413.37	1.93	-34.79
CCC(CC)(NC(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803786	1	55	-1.0	-36.72	413.31	1.91	-34.81
CCC(CC)(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019803787	0	58	-1.0	-37.57	428.60	5.94	-31.63
CCC(CC)(NC(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019803787	1	58	-1.0	-37.59	428.67	5.96	-31.63
CCC(CC)(NC(=O)C1(OC)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803788	0	53	-1.0	-37.07	399.73	3.34	-33.73
CCC(CC)(NC(=O)C1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803788	1	53	-1.0	-37.04	399.79	3.35	-33.69
CCC(CC)(NC(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=N[N-]N=N1	REAL300019803789	0	61	-1.0	-35.44	447.97	6.07	-29.37
CCC(CC)(NC(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=NN=N[N-]1	REAL300019803789	1	61	-1.0	-35.41	448.04	6.08	-29.33
CCC(CC)(NC(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803790	0	59	-1.0	-40.70	433.79	2.56	-38.14
CCC(CC)(NC(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803790	1	59	-1.0	-40.72	433.86	2.58	-38.14
CCC(CC)(NC(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019803791	0	61	-1.0	-39.67	438.28	5.04	-34.63
CCC(CC)(NC(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019803791	1	61	-1.0	-39.70	438.35	5.05	-34.65
CCC(CC)(NC(=O)CN1N=C(C)C(C)=C1C)C1=N[N-]N=N1	REAL300019803792	0	44	-1.0	-39.28	341.32	4.27	-35.01
CCC(CC)(NC(=O)CN1N=C(C)C(C)=C1C)C1=NN=N[N-]1	REAL300019803792	1	44	-1.0	-39.32	341.38	4.27	-35.05
CCC(CC)(NC(=O)C1=CSC(C(C)=O)=N1)C1=N[N-]N=N1	REAL300019803793	0	36	-1.0	-47.70	308.92	2.06	-45.64
CCC(CC)(NC(=O)C1=CSC(C(C)=O)=N1)C1=NN=N[N-]1	REAL300019803793	1	36	-1.0	-47.69	308.99	2.07	-45.62
CCC(CC)(NC(=O)C1=C(Br)N(C)N=C1OC)C1=NN=N[N-]1	REAL300019803794	0	39	-1.0	-38.80	334.59	0.50	-38.30
CCC(CC)(NC(=O)C1=C(Br)N(C)N=C1OC)C1=N[N-]N=N1	REAL300019803794	1	39	-1.0	-38.82	334.52	0.48	-38.34
CCC(CC)(NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=N[N-]N=N1	REAL300019803795	0	42	-1.0	-42.68	335.57	3.53	-39.15
CCC(CC)(NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=NN=N[N-]1	REAL300019803795	1	42	-1.0	-42.73	335.64	3.53	-39.20
CCC(CC)(NC(=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1)C1=N[N-]N=N1	REAL300019803796	0	59	-1.0	-38.08	442.64	2.56	-35.52
CCC(CC)(NC(=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1)C1=NN=N[N-]1	REAL300019803796	1	59	-1.0	-38.06	442.71	2.58	-35.48
CCC(CC)(NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=N[N-]N=N1	REAL300019803797	0	38	-1.0	-36.70	322.13	4.33	-32.37
CCC(CC)(NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=NN=N[N-]1	REAL300019803797	1	38	-1.0	-36.73	322.19	4.34	-32.39
CCC(CC)(NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=N[N-]N=N1	REAL300019803798	0	48	-1.0	-55.75	375.69	3.76	-51.99
CCC(CC)(NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=NN=N[N-]1	REAL300019803798	1	48	-1.0	-55.76	375.74	3.76	-52.00
CCC(CC)(NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=N[N-]N=N1	REAL300019803799	0	41	-1.0	-38.23	349.69	6.40	-31.83
CCC(CC)(NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=NN=N[N-]1	REAL300019803799	1	41	-1.0	-38.22	349.76	6.41	-31.81
CCC(CC)(NC(=O)C1CCCC2=NN=CN21)C1=N[N-]N=N1	REAL300019803800	0	41	-1.0	-39.89	309.21	5.13	-34.76
CCC(CC)(NC(=O)C1CCCC2=NN=CN21)C1=NN=N[N-]1	REAL300019803800	1	41	-1.0	-39.90	309.28	5.15	-34.75
CCC(CC)(NC(=O)CC1CCCC(C)(C)O1)C1=N[N-]N=N1	REAL300019803801	0	48	-1.0	-36.75	349.34	5.09	-31.66
CCC(CC)(NC(=O)CC1CCCC(C)(C)O1)C1=NN=N[N-]1	REAL300019803801	1	48	-1.0	-36.80	349.40	5.10	-31.70
CCC(CC)(NC(=O)C(OC)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300019803802	0	41	-1.0	-37.04	327.79	3.34	-33.70
CCC(CC)(NC(=O)C(OC)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300019803802	1	41	-1.0	-37.01	327.73	3.32	-33.69
CCC(CC)(NC(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=N[N-]N=N1	REAL300019803803	0	38	-1.0	-34.00	342.29	6.99	-27.01
CCC(CC)(NC(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=NN=N[N-]1	REAL300019803803	1	38	-1.0	-33.97	342.35	7.00	-26.97
CCC(CC)(NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300019803804	0	47	-1.0	-41.61	345.27	1.29	-40.32
CCC(CC)(NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300019803804	1	47	-1.0	-41.60	345.34	1.30	-40.30
CCC(CC)(NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300019803805	0	42	-1.0	-37.66	340.16	6.65	-31.01
CCC(CC)(NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300019803805	1	42	-1.0	-37.67	340.22	6.66	-31.01
CCC(CC)(NC(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=N[N-]N=N1	REAL300019803806	0	51	-1.0	-54.33	389.54	7.54	-46.79
CCC(CC)(NC(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C)C1=NN=N[N-]1	REAL300019803806	1	51	-1.0	-54.37	389.61	7.56	-46.81
CCC(CC)(NC(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=N[N-]N=N1	REAL300019803807	0	49	-1.0	-46.77	377.88	6.38	-40.39
CCC(CC)(NC(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=NN=N[N-]1	REAL300019803807	1	49	-1.0	-46.84	377.94	6.38	-40.46
CCC(CC)(NC(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=N[N-]N=N1	REAL300019803808	0	43	-1.0	-48.46	340.85	5.41	-43.05
CCC(CC)(NC(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=NN=N[N-]1	REAL300019803808	1	43	-1.0	-48.49	340.91	5.41	-43.08
CCC(CC)(NC(=O)C1=CC=NC2=CC(OC)=CC=C21)C1=NN=N[N-]1	REAL300019803809	0	44	-1.0	-35.76	340.65	4.23	-31.53
CCC(CC)(NC(=O)C1=CC=NC2=CC(OC)=CC=C21)C1=N[N-]N=N1	REAL300019803809	1	44	-1.0	-35.70	340.58	4.23	-31.47
CCC(CC)(NC(=O)C1=CC=NC2=C1CCC2)C1=N[N-]N=N1	REAL300019803810	0	41	-1.0	-35.27	312.92	4.64	-30.63
CCC(CC)(NC(=O)C1=CC=NC2=C1CCC2)C1=NN=N[N-]1	REAL300019803810	1	41	-1.0	-35.24	312.99	4.65	-30.59
CCSC1CCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1	REAL300019803811	0	48	-1.0	-33.72	363.84	6.74	-26.98
CCSC1CCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1	REAL300019803811	1	48	-1.0	-33.68	363.91	6.74	-26.94
CCC(CC)(NC(=O)CCC1=CC(C)=NC(C)=C1)C1=N[N-]N=N1	REAL300019803812	0	46	-1.0	-36.40	360.00	5.38	-31.02
CCC(CC)(NC(=O)CCC1=CC(C)=NC(C)=C1)C1=NN=N[N-]1	REAL300019803812	1	46	-1.0	-36.37	360.07	5.39	-30.98
CCC(CC)(NC(=O)C1=CC2=CC=C(C)C=C2C=C1)C1=NN=N[N-]1	REAL300019803813	0	44	-1.0	-36.77	343.34	7.36	-29.41
CCC(CC)(NC(=O)C1=CC2=CC=C(C)C=C2C=C1)C1=N[N-]N=N1	REAL300019803813	1	44	-1.0	-36.75	343.27	7.35	-29.40
CCC(CC)(NC(=O)CCC1=CC=CC(=O)N1)C1=N[N-]N=N1	REAL300019803814	0	41	-1.0	-41.41	326.54	2.71	-38.70
CCC(CC)(NC(=O)CCC1=CC=CC(=O)N1)C1=NN=N[N-]1	REAL300019803814	1	41	-1.0	-41.39	326.61	2.72	-38.67
CCC(CC)(NC(=O)C1=CSC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019803815	0	32	-1.0	-34.14	296.38	4.59	-29.55
CCC(CC)(NC(=O)C1=CSC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300019803815	1	32	-1.0	-34.19	296.45	4.60	-29.59
CCC(CC)(NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=N[N-]N=N1	REAL300019803816	0	47	-1.0	-41.12	368.39	4.02	-37.10
CCC(CC)(NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=NN=N[N-]1	REAL300019803816	1	47	-1.0	-41.10	368.45	4.02	-37.08
CCC(CC)(NC(=O)C1=CN(C2CCC2)N=C1C)C1=N[N-]N=N1	REAL300019803817	0	45	-1.0	-35.83	343.51	4.89	-30.94
CCC(CC)(NC(=O)C1=CN(C2CCC2)N=C1C)C1=NN=N[N-]1	REAL300019803817	1	45	-1.0	-35.82	343.57	4.90	-30.92
CCC(CC)(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=NN=N[N-]1	REAL300019803818	0	42	-1.0	-37.02	343.30	5.68	-31.34
CCC(CC)(NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=N[N-]N=N1	REAL300019803818	1	42	-1.0	-37.00	343.23	5.66	-31.34
CCC(CC)(NC(=O)C1=CNC=C1Br)C1=N[N-]N=N1	REAL300019803819	0	33	-1.0	-39.14	282.58	2.93	-36.21
CCC(CC)(NC(=O)C1=CNC=C1Br)C1=NN=N[N-]1	REAL300019803819	1	33	-1.0	-39.16	282.65	2.94	-36.22
CCC(CC)(NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019803820	0	45	-1.0	-43.22	373.71	4.07	-39.15
CCC(CC)(NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019803820	1	45	-1.0	-43.24	373.77	4.08	-39.16
CCC1=C(C)SC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803821	0	41	-1.0	-35.22	323.43	5.61	-29.61
CCC1=C(C)SC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803821	1	41	-1.0	-35.26	323.49	5.62	-29.64
CCC(CC)(NC(=O)C1CC(OC(F)(F)F)C1)C1=N[N-]N=N1	REAL300019803822	0	39	-1.0	-35.03	319.47	2.97	-32.06
CCC(CC)(NC(=O)C1CC(OC(F)(F)F)C1)C1=NN=N[N-]1	REAL300019803822	1	39	-1.0	-35.01	319.53	2.98	-32.03
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=N[N-]N=N1	REAL300019803823	0	38	-1.0	-43.69	322.33	0.02	-43.67
CCC(CC)(NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=NN=N[N-]1	REAL300019803823	1	38	-1.0	-43.62	322.39	0.02	-43.60
CCC(CC)(NC(=O)CC1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL300019803824	0	46	-1.0	-37.45	354.21	5.20	-32.25
CCC(CC)(NC(=O)CC1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL300019803824	1	46	-1.0	-37.44	354.28	5.22	-32.22
CCC(CC)(NC(=O)CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300019803825	0	46	-1.0	-37.47	354.21	5.20	-32.27
CCC(CC)(NC(=O)CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300019803825	1	46	-1.0	-37.50	354.27	5.22	-32.28
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=NN=N[N-]1	REAL300019803826	0	44	-1.0	-35.55	350.91	6.26	-29.29
CCC(CC)(NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=N[N-]N=N1	REAL300019803826	1	44	-1.0	-35.55	350.85	6.26	-29.29
CCC(CC)(NC(=O)C1=CC=C(Br)C(C)=N1)C1=N[N-]N=N1	REAL300019803827	0	37	-1.0	-36.00	312.80	3.84	-32.16
CCC(CC)(NC(=O)C1=CC=C(Br)C(C)=N1)C1=NN=N[N-]1	REAL300019803827	1	37	-1.0	-35.98	312.87	3.85	-32.13
CCC(CC)(NC(=O)C1=NC=C(Br)C=C1OC)C1=NN=N[N-]1	REAL300019803828	0	38	-1.0	-38.49	321.17	3.84	-34.65
CCC(CC)(NC(=O)C1=NC=C(Br)C=C1OC)C1=N[N-]N=N1	REAL300019803828	1	38	-1.0	-38.48	321.10	3.84	-34.64
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=N[N-]N=N1	REAL300019803829	0	44	-1.0	-45.00	359.07	2.09	-42.91
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=NN=N[N-]1	REAL300019803829	1	44	-1.0	-45.03	359.13	2.11	-42.92
CCC(CC)(NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300019803830	0	42	-1.0	-39.26	340.28	5.73	-33.53
CCC(CC)(NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300019803830	1	42	-1.0	-39.25	340.35	5.74	-33.51
CCC1=CC=C(N2C=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)N=N2)C=C1	REAL300019803831	0	47	-1.0	-40.63	376.10	5.60	-35.03
CCC1=CC=C(N2C=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)N=N2)C=C1	REAL300019803831	1	47	-1.0	-40.61	376.03	5.58	-35.03
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019803832	0	50	-1.0	-38.75	406.46	3.87	-34.88
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019803832	1	50	-1.0	-38.78	406.53	3.89	-34.89
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019803833	0	50	-1.0	-40.23	403.89	3.97	-36.26
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019803833	1	50	-1.0	-40.24	403.95	3.98	-36.26
CCC(CC)(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019803834	0	40	-2.0	-73.65	339.88	3.07	-70.58
CCC(CC)(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019803834	1	40	-2.0	-73.68	339.95	3.09	-70.59
CCC(CC)(NC(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=NN=N[N-]1	REAL300019803835	0	45	-1.0	-38.64	377.99	6.12	-32.52
CCC(CC)(NC(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=N[N-]N=N1	REAL300019803835	1	45	-1.0	-38.69	377.92	6.10	-32.59
CCC(CC)(NC(=O)C1=CN(C)C(=O)C(C)=C1)C1=N[N-]N=N1	REAL300019803836	0	41	-1.0	-37.82	320.88	3.92	-33.90
CCC(CC)(NC(=O)C1=CN(C)C(=O)C(C)=C1)C1=NN=N[N-]1	REAL300019803836	1	41	-1.0	-37.83	320.95	3.93	-33.90
CCC(CC)(NC(=O)CC1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL300019803837	0	44	-1.0	-37.78	330.67	5.63	-32.15
CCC(CC)(NC(=O)CC1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL300019803837	1	44	-1.0	-37.77	330.73	5.63	-32.14
CCC(CC)(NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=N[N-]N=N1	REAL300019803838	0	56	-1.0	-36.50	410.70	9.48	-27.02
CCC(CC)(NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=NN=N[N-]1	REAL300019803838	1	56	-1.0	-36.45	410.76	9.50	-26.95
CCC(CC)(NC(=O)CC1CC(C(F)F)C1)C1=N[N-]N=N1	REAL300019803839	0	41	-1.0	-36.08	322.22	5.10	-30.98
CCC(CC)(NC(=O)CC1CC(C(F)F)C1)C1=NN=N[N-]1	REAL300019803839	1	41	-1.0	-36.11	322.29	5.11	-31.00
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803840	0	46	-1.0	-33.89	358.32	6.26	-27.63
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803840	1	46	-1.0	-33.91	358.38	6.27	-27.64
CCC(CC)(NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=N[N-]N=N1	REAL300019803841	0	43	-1.0	-36.12	351.02	4.58	-31.54
CCC(CC)(NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=NN=N[N-]1	REAL300019803841	1	43	-1.0	-36.09	351.09	4.59	-31.50
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=N[N-]N=N1	REAL300019803842	0	50	-1.0	-40.45	374.34	6.87	-33.58
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=NN=N[N-]1	REAL300019803842	1	50	-1.0	-40.46	374.41	6.88	-33.58
CCC(CC)(NC(=O)C1=C(Cl)C=C(C)S1)C1=N[N-]N=N1	REAL300019803843	0	35	-1.0	-35.58	303.53	4.75	-30.83
CCC(CC)(NC(=O)C1=C(Cl)C=C(C)S1)C1=NN=N[N-]1	REAL300019803843	1	35	-1.0	-35.54	303.60	4.76	-30.78
CCC(CC)(NC(=O)C1=CC2=CN=CC(Br)=C2S1)C1=NN=N[N-]1	REAL300019803844	0	37	-1.0	-35.56	330.73	4.71	-30.85
CCC(CC)(NC(=O)C1=CC2=CN=CC(Br)=C2S1)C1=N[N-]N=N1	REAL300019803844	1	37	-1.0	-35.62	330.66	4.70	-30.92
CCC(CC)(NC(=O)C1CCC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL300019803845	0	46	-1.0	-36.33	346.12	4.11	-32.22
CCC(CC)(NC(=O)C1CCC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL300019803845	1	46	-1.0	-36.36	346.19	4.12	-32.24
CCC(CC)(NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019803846	0	51	-1.0	-37.30	384.50	3.95	-33.35
CCC(CC)(NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019803846	1	51	-1.0	-37.27	384.57	3.97	-33.30
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300019803847	0	48	-1.0	-39.08	372.90	5.62	-33.46
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300019803847	1	48	-1.0	-39.15	372.97	5.64	-33.51
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=N[N-]N=N1	REAL300019803848	0	42	-1.0	-36.62	348.43	7.06	-29.56
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=NN=N[N-]1	REAL300019803848	1	42	-1.0	-36.60	348.49	7.07	-29.53
CCC(CC)(NC(=O)C1=CC(Cl)=NC=C1C#N)C1=NN=N[N-]1	REAL300019803849	0	35	-1.0	-34.92	304.74	3.48	-31.44
CCC(CC)(NC(=O)C1=CC(Cl)=NC=C1C#N)C1=N[N-]N=N1	REAL300019803849	1	35	-1.0	-34.90	304.67	3.48	-31.42
CCC(CC)(NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=N[N-]N=N1	REAL300019803850	0	40	-1.0	-48.79	312.44	3.26	-45.53
CCC(CC)(NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=NN=N[N-]1	REAL300019803850	1	40	-1.0	-48.78	312.51	3.27	-45.51
CCC(CC)(NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL300019803851	0	45	-1.0	-37.68	354.71	3.98	-33.70
CCC(CC)(NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL300019803851	1	45	-1.0	-37.66	354.77	3.99	-33.67
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1Cl	REAL300019803852	0	41	-1.0	-35.13	330.49	6.36	-28.77
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1Cl	REAL300019803852	1	41	-1.0	-35.13	330.56	6.36	-28.77
CCC(CC)(NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=NN=N[N-]1	REAL300019803853	0	49	-1.0	-38.39	372.89	3.58	-34.81
CCC(CC)(NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=N[N-]N=N1	REAL300019803853	1	49	-1.0	-38.39	372.83	3.57	-34.82
CCC(CC)(NC(=O)C1=CC=C(CC2CC2)C=C1)C1=N[N-]N=N1	REAL300019803854	0	45	-1.0	-35.42	350.35	7.45	-27.97
CCC(CC)(NC(=O)C1=CC=C(CC2CC2)C=C1)C1=NN=N[N-]1	REAL300019803854	1	45	-1.0	-35.41	350.42	7.46	-27.95
CCC(CC)(NC(=O)C1=NSC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019803855	0	37	-1.0	-35.82	327.92	5.07	-30.75
CCC(CC)(NC(=O)C1=NSC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019803855	1	37	-1.0	-35.82	327.85	5.06	-30.76
CCC(CC)(NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=N[N-]N=N1	REAL300019803856	0	38	-1.0	-36.60	323.60	5.51	-31.09
CCC(CC)(NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=NN=N[N-]1	REAL300019803856	1	38	-1.0	-36.62	323.66	5.51	-31.11
CCC(CC)(NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=NN=N[N-]1	REAL300019803857	0	37	-1.0	-39.24	323.17	4.49	-34.75
CCC(CC)(NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=N[N-]N=N1	REAL300019803857	1	37	-1.0	-39.26	323.11	4.48	-34.78
CCC(CC)(NC(=O)CCC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300019803858	0	42	-1.0	-37.99	348.18	6.33	-31.66
CCC(CC)(NC(=O)CCC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300019803858	1	42	-1.0	-37.98	348.25	6.35	-31.63
CCC(CC)(NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=N[N-]N=N1	REAL300019803859	0	41	-1.0	-38.03	330.30	1.86	-36.17
CCC(CC)(NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=NN=N[N-]1	REAL300019803859	1	41	-1.0	-38.04	330.37	1.87	-36.17
CCC(CC)(NC(=O)C1=CN=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019803860	0	44	-1.0	-36.24	333.84	5.11	-31.13
CCC(CC)(NC(=O)C1=CN=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019803860	1	44	-1.0	-36.21	333.91	5.13	-31.08
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803861	0	43	-1.0	-39.24	337.23	6.60	-32.64
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803861	1	43	-1.0	-39.22	337.30	6.60	-32.62
CCC(CC)(NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019803862	0	45	-1.0	-35.85	350.15	7.03	-28.82
CCC(CC)(NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019803862	1	45	-1.0	-35.90	350.22	7.05	-28.85
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C=CN2CCOC)C1=N[N-]N=N1	REAL300019803863	0	49	-1.0	-38.98	385.10	6.14	-32.84
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C=CN2CCOC)C1=NN=N[N-]1	REAL300019803863	1	49	-1.0	-38.97	385.17	6.16	-32.81
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=N[N-]N=N1	REAL300019803864	0	48	-1.0	-38.68	369.46	7.56	-31.12
CCC(CC)(NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=NN=N[N-]1	REAL300019803864	1	48	-1.0	-38.67	369.53	7.57	-31.10
CCC(CC)(NC(=O)C=CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019803865	0	42	-1.0	-37.59	336.43	4.31	-33.28
CCC(CC)(NC(=O)C=CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019803865	1	42	-1.0	-37.55	336.49	4.32	-33.23
CCC(CC)(NC(=O)C1=CC2=C(Br)C=NC=C2C=C1)C1=NN=N[N-]1	REAL300019803866	0	40	-1.0	-36.51	335.62	5.46	-31.05
CCC(CC)(NC(=O)C1=CC2=C(Br)C=NC=C2C=C1)C1=N[N-]N=N1	REAL300019803866	1	40	-1.0	-36.49	335.56	5.45	-31.04
CCC(CC)(NC(=O)C1=CC=CC2=NN=CN21)C1=NN=N[N-]1	REAL300019803867	0	37	-1.0	-37.97	293.03	5.50	-32.47
CCC(CC)(NC(=O)C1=CC=CC2=NN=CN21)C1=N[N-]N=N1	REAL300019803867	1	37	-1.0	-37.95	292.98	5.50	-32.45
C=CCOCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)C(C)(C)C	REAL300019803868	0	51	-1.0	-33.42	370.78	5.63	-27.79
C=CCOCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)C(C)(C)C	REAL300019803868	1	51	-1.0	-33.42	370.84	5.65	-27.77
CCC(CC)(NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300019803869	0	47	-1.0	-44.14	360.68	0.70	-43.44
CCC(CC)(NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300019803869	1	47	-1.0	-44.20	360.74	0.71	-43.49
CCC(CC)(NC(=O)C1=C(C(F)F)C=NN1C)C1=NN=N[N-]1	REAL300019803870	0	38	-1.0	-35.41	308.99	2.72	-32.69
CCC(CC)(NC(=O)C1=C(C(F)F)C=NN1C)C1=N[N-]N=N1	REAL300019803870	1	38	-1.0	-35.44	308.92	2.71	-32.73
CCC(CC)(NC(=O)C1=CC(C)=NN1C1CCC1)C1=N[N-]N=N1	REAL300019803871	0	45	-1.0	-34.33	344.66	5.09	-29.24
CCC(CC)(NC(=O)C1=CC(C)=NN1C1CCC1)C1=NN=N[N-]1	REAL300019803871	1	45	-1.0	-34.37	344.72	5.09	-29.28
CCC(CC)(NC(=O)C1=CC=NN1CCC(F)(F)F)C1=NN=N[N-]1	REAL300019803872	0	41	-1.0	-33.73	337.60	4.17	-29.56
CCC(CC)(NC(=O)C1=CC=NN1CCC(F)(F)F)C1=N[N-]N=N1	REAL300019803872	1	41	-1.0	-33.74	337.53	4.16	-29.58
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1OC)C1=N[N-]N=N1	REAL300019803873	0	46	-1.0	-38.20	372.35	6.38	-31.82
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1OC)C1=NN=N[N-]1	REAL300019803873	1	46	-1.0	-38.22	372.41	6.40	-31.82
CCC(CC)(NC(=O)CC1OCCCC1(C)C)C1=N[N-]N=N1	REAL300019803874	0	48	-1.0	-36.05	344.23	4.75	-31.30
CCC(CC)(NC(=O)CC1OCCCC1(C)C)C1=NN=N[N-]1	REAL300019803874	1	48	-1.0	-36.06	344.29	4.76	-31.30
CCC(CC)(NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=N[N-]N=N1	REAL300019803875	0	41	-1.0	-36.09	349.26	3.57	-32.52
CCC(CC)(NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=NN=N[N-]1	REAL300019803875	1	41	-1.0	-36.10	349.33	3.58	-32.52
CCC(CC)(NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300019803876	0	39	-1.0	-35.63	332.62	6.20	-29.43
CCC(CC)(NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300019803876	1	39	-1.0	-35.61	332.69	6.21	-29.40
CCC(CC)(NC(=O)C(COC(C)C)NC(C)=O)C1=N[N-]N=N1	REAL300019803877	0	48	-1.0	-40.20	368.02	2.30	-37.90
CCC(CC)(NC(=O)C(COC(C)C)NC(C)=O)C1=NN=N[N-]1	REAL300019803877	1	48	-1.0	-40.24	368.09	2.31	-37.93
CCC(CC)(NC(=O)CCC1COC(C)(C)O1)C1=N[N-]N=N1	REAL300019803878	0	46	-1.0	-35.73	351.80	3.31	-32.42
CCC(CC)(NC(=O)CCC1COC(C)(C)O1)C1=NN=N[N-]1	REAL300019803878	1	46	-1.0	-35.72	351.86	3.32	-32.40
CCCCOC1=CC=C(C=CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019803879	0	52	-1.0	-36.12	404.65	7.46	-28.66
CCCCOC1=CC=C(C=CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019803879	1	52	-1.0	-36.13	404.72	7.47	-28.66
CCC(CC)(NC(=O)CC1=CC2=CC=C(OC)C=C2C=C1)C1=N[N-]N=N1	REAL300019803880	0	48	-1.0	-38.48	375.96	6.67	-31.81
CCC(CC)(NC(=O)CC1=CC2=CC=C(OC)C=C2C=C1)C1=NN=N[N-]1	REAL300019803880	1	48	-1.0	-38.47	376.02	6.68	-31.79
CCC(CC)(NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=N[N-]N=N1	REAL300019803881	0	53	-1.0	-34.40	389.62	8.09	-26.31
CCC(CC)(NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=NN=N[N-]1	REAL300019803881	1	53	-1.0	-34.38	389.70	8.10	-26.28
CCC(CC)(NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300019803882	0	35	-1.0	-31.40	308.53	5.15	-26.25
CCC(CC)(NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300019803882	1	35	-1.0	-31.38	308.60	5.16	-26.22
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL300019803883	0	41	-1.0	-37.25	337.98	5.11	-32.14
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL300019803883	1	41	-1.0	-37.24	338.05	5.12	-32.12
CCC(CC)(NC(=O)C1=NC=C(F)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019803884	0	40	-1.0	-36.83	319.78	5.04	-31.79
CCC(CC)(NC(=O)C1=NC=C(F)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019803884	1	40	-1.0	-36.82	319.71	5.03	-31.79
CCC(CC)(NC(=O)C=CC1=CC=C(C(=O)OC)N=C1)C1=N[N-]N=N1	REAL300019803885	0	44	-1.0	-39.04	360.99	4.49	-34.55
CCC(CC)(NC(=O)C=CC1=CC=C(C(=O)OC)N=C1)C1=NN=N[N-]1	REAL300019803885	1	44	-1.0	-39.05	361.06	4.50	-34.55
CCC(CC)(NC(=O)C1=CC(C)=C(C)NC1=O)C1=N[N-]N=N1	REAL300019803886	0	41	-1.0	-50.59	316.58	2.91	-47.68
CCC(CC)(NC(=O)C1=CC(C)=C(C)NC1=O)C1=NN=N[N-]1	REAL300019803886	1	41	-1.0	-50.59	316.65	2.92	-47.67
CCC(CC)(NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL300019803887	0	44	-1.0	-35.27	356.32	6.62	-28.65
CCC(CC)(NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL300019803887	1	44	-1.0	-35.31	356.38	6.64	-28.67
CCC(CC)(NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019803888	0	44	-1.0	-35.97	348.04	6.47	-29.50
CCC(CC)(NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019803888	1	44	-1.0	-35.93	348.10	6.48	-29.45
CCC(CC)(NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019803889	0	47	-1.0	-38.92	363.32	4.94	-33.98
CCC(CC)(NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019803889	1	47	-1.0	-38.90	363.26	4.93	-33.97
CCC(CC)(NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=N[N-]N=N1	REAL300019803890	0	42	-1.0	-45.25	339.21	4.56	-40.69
CCC(CC)(NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=NN=N[N-]1	REAL300019803890	1	42	-1.0	-45.25	339.28	4.57	-40.68
CCC(CC)(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL300019803891	0	35	-2.0	-83.06	303.68	4.38	-78.68
CCC(CC)(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL300019803891	1	35	-2.0	-83.06	303.74	4.40	-78.66
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300019803892	0	43	-1.0	-41.29	357.41	3.89	-37.40
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300019803892	1	43	-1.0	-41.27	357.46	3.89	-37.38
CCC(CC)(NC(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019803893	0	44	-1.0	-37.76	371.94	4.92	-32.84
CCC(CC)(NC(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300019803893	1	44	-1.0	-37.78	371.87	4.90	-32.88
CCC(CC)(NC(=O)C1=C2N=CNC2=CC(Br)=C1)C1=N[N-]N=N1	REAL300019803894	0	38	-1.0	-43.79	322.30	4.86	-38.93
CCC(CC)(NC(=O)C1=C2N=CNC2=CC(Br)=C1)C1=NN=N[N-]1	REAL300019803894	1	38	-1.0	-43.82	322.37	4.88	-38.94
CCC(CC)(NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=N[N-]N=N1	REAL300019803895	0	45	-1.0	-40.40	353.47	5.48	-34.92
CCC(CC)(NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=NN=N[N-]1	REAL300019803895	1	45	-1.0	-40.38	353.54	5.49	-34.89
CCC(CC)(NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=N[N-]N=N1	REAL300019803896	0	47	-1.0	-41.25	373.78	2.84	-38.41
CCC(CC)(NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=NN=N[N-]1	REAL300019803896	1	47	-1.0	-41.28	373.85	2.86	-38.42
CCC(CC)(NC(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019803897	0	48	-1.0	-40.02	387.46	7.06	-32.96
CCC(CC)(NC(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019803897	1	48	-1.0	-40.06	387.53	7.07	-32.99
CCC(CC)(NC(=O)C1CCC2=C(C1)C(C)=NN2)C1=N[N-]N=N1	REAL300019803898	0	45	-1.0	-36.69	340.93	3.78	-32.91
CCC(CC)(NC(=O)C1CCC2=C(C1)C(C)=NN2)C1=NN=N[N-]1	REAL300019803898	1	45	-1.0	-36.69	341.00	3.80	-32.89
CCC(CC)(NC(=O)C1CCC2=NNC(C)=C2C1)C1=N[N-]N=N1	REAL300019803898	1	45	-1.0	-36.95	340.10	3.76	-33.19
CCC(CC)(NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300019803899	0	46	-1.0	-39.27	360.33	4.30	-34.97
CCC(CC)(NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300019803899	1	46	-1.0	-39.26	360.39	4.32	-34.94
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=N[N-]N=N1	REAL300019803900	0	41	-1.0	-34.15	339.60	5.99	-28.16
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=NN=N[N-]1	REAL300019803900	1	41	-1.0	-34.19	339.66	6.00	-28.19
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=N[N-]N=N1	REAL300019803901	0	37	-1.0	-41.86	316.58	-2.68	-44.54
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=NN=N[N-]1	REAL300019803901	1	37	-1.0	-41.85	316.65	-2.66	-44.51
CCC(CC)(NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=NN=N[N-]1	REAL300019803902	0	39	-1.0	-40.59	324.36	4.61	-35.98
CCC(CC)(NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=N[N-]N=N1	REAL300019803902	1	39	-1.0	-40.58	324.30	4.59	-35.99
CCC(CC)(NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=N[N-]N=N1	REAL300019803903	0	45	-1.0	-36.36	361.69	5.53	-30.83
CCC(CC)(NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=NN=N[N-]1	REAL300019803903	1	45	-1.0	-36.39	361.76	5.54	-30.85
CCC(CC)(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803904	0	49	-1.0	-41.23	379.89	3.18	-38.05
CCC(CC)(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803904	1	49	-1.0	-41.24	379.96	3.19	-38.05
CCC(CC)(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL300019803905	0	39	-1.0	-38.80	331.24	3.74	-35.06
CCC(CC)(NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL300019803905	1	39	-1.0	-38.78	331.31	3.75	-35.03
CCC(CC)(NC(=O)C1=CN2N=NC=C2C=C1)C1=NN=N[N-]1	REAL300019803906	0	37	-1.0	-36.92	297.75	2.96	-33.96
CCC(CC)(NC(=O)C1=CN2N=NC=C2C=C1)C1=N[N-]N=N1	REAL300019803906	1	37	-1.0	-36.91	297.69	2.95	-33.96
CCC(CC)(NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=N[N-]N=N1	REAL300019803907	0	46	-1.0	-33.87	351.77	2.57	-31.30
CCC(CC)(NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=NN=N[N-]1	REAL300019803907	1	46	-1.0	-33.87	351.83	2.57	-31.30
CCC(CC)(NC(=O)CCC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300019803908	0	38	-1.0	-34.71	331.57	5.56	-29.15
CCC(CC)(NC(=O)CCC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300019803908	1	38	-1.0	-34.72	331.64	5.57	-29.15
CCC(CC)(NC(=O)CCNC1=CN=CN=C1)C1=NN=N[N-]1	REAL300019803909	0	41	-1.0	-37.50	325.47	2.11	-35.39
CCC(CC)(NC(=O)CCNC1=CN=CN=C1)C1=N[N-]N=N1	REAL300019803909	1	41	-1.0	-37.52	325.41	2.09	-35.43
CCC(CC)(NC(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=N[N-]N=N1	REAL300019803910	0	41	-1.0	-41.73	343.81	5.24	-36.49
CCC(CC)(NC(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=NN=N[N-]1	REAL300019803910	1	41	-1.0	-41.76	343.88	5.25	-36.51
CCC(CC)(NC(=O)CC1=C(Br)C=C2NC=NC2=C1)C1=N[N-]N=N1	REAL300019803910	1	41	-1.0	-41.52	343.68	5.24	-36.28
CCC(CC)(NC(=O)CC1=C(Br)C=C2NC=NC2=C1)C1=NN=N[N-]1	REAL300019803910	1	41	-1.0	-41.53	343.75	5.25	-36.28
CCC(CC)(NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803911	0	56	-1.0	-38.68	411.22	7.35	-31.33
CCC(CC)(NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803911	1	56	-1.0	-38.65	411.28	7.36	-31.29
CCC(CC)(NC(=O)C1CCCC(F)(F)CC1)C1=N[N-]N=N1	REAL300019803912	0	44	-1.0	-36.16	321.26	5.25	-30.91
CCC(CC)(NC(=O)C1CCCC(F)(F)CC1)C1=NN=N[N-]1	REAL300019803912	1	44	-1.0	-36.13	321.33	5.26	-30.87
CCC(CC)(NC(=O)C[C@@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019803913	0	42	-1.0	-37.41	328.78	3.53	-33.88
CCC(CC)(NC(=O)C[C@@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019803913	1	42	-1.0	-37.45	328.85	3.55	-33.90
CCC(CC)(NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300019803914	0	43	-1.0	-42.14	348.17	5.77	-36.37
CCC(CC)(NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300019803914	1	43	-1.0	-42.17	348.23	5.78	-36.39
CCC(CC)(NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300019803915	0	42	-1.0	-37.54	337.33	6.68	-30.86
CCC(CC)(NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300019803915	1	42	-1.0	-37.55	337.40	6.69	-30.86
CCC(CC)(NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019803916	0	54	-1.0	-43.86	420.17	6.52	-37.34
CCC(CC)(NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019803916	1	54	-1.0	-43.83	420.23	6.53	-37.30
CCC(CC)(NC(=O)C1CCC2=CC=NN2C1)C1=N[N-]N=N1	REAL300019803917	0	42	-1.0	-37.62	321.27	3.69	-33.93
CCC(CC)(NC(=O)C1CCC2=CC=NN2C1)C1=NN=N[N-]1	REAL300019803917	1	42	-1.0	-37.62	321.34	3.71	-33.91
CCC(CC)(NC(=O)C1=C2C=NSC2=CC=C1)C1=NN=N[N-]1	REAL300019803918	0	37	-1.0	-35.70	303.56	4.50	-31.20
CCC(CC)(NC(=O)C1=C2C=NSC2=CC=C1)C1=N[N-]N=N1	REAL300019803918	1	37	-1.0	-35.72	303.50	4.49	-31.23
CCC(CC)(NC(=O)C1=CC=CC2=NON=C21)C1=NN=N[N-]1	REAL300019803919	0	36	-1.0	-39.62	292.19	3.30	-36.32
CCC(CC)(NC(=O)C1=CC=CC2=NON=C21)C1=N[N-]N=N1	REAL300019803919	1	36	-1.0	-39.59	292.12	3.29	-36.30
CCC(CC)(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=N[N-]N=N1	REAL300019803920	0	41	-1.0	-41.91	348.23	2.61	-39.30
CCC(CC)(NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=NN=N[N-]1	REAL300019803920	1	41	-1.0	-41.91	348.30	2.61	-39.30
CCC(CC)(NC(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL300019803921	0	37	-1.0	-31.25	317.35	3.50	-27.75
CCC(CC)(NC(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL300019803921	1	37	-1.0	-31.29	317.42	3.51	-27.78
CCC(CC)(NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019803922	0	51	-1.0	-38.40	402.20	2.44	-35.96
CCC(CC)(NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019803922	1	51	-1.0	-38.39	402.27	2.44	-35.95
CCC(CC)(NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=N[N-]N=N1	REAL300019803923	0	40	-1.0	-35.98	333.20	4.67	-31.31
CCC(CC)(NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=NN=N[N-]1	REAL300019803923	1	40	-1.0	-35.95	333.27	4.68	-31.27
CCC(CC)(NC(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1)C1=N[N-]N=N1	REAL300019803924	0	49	-1.0	-38.26	372.85	7.07	-31.19
CCC(CC)(NC(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1)C1=NN=N[N-]1	REAL300019803924	1	49	-1.0	-38.26	372.92	7.08	-31.18
CCC(CC)(NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803925	0	56	-1.0	-41.86	422.70	4.07	-37.79
CCC(CC)(NC(=O)CC1(OC)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803925	1	56	-1.0	-41.88	422.76	4.08	-37.80
C#CC1=CC=C(C2CC2C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019803926	0	44	-1.0	-38.08	347.63	7.58	-30.50
C#CC1=CC=C(C2CC2C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019803926	1	44	-1.0	-38.09	347.69	7.60	-30.49
CCC(CC)(NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300019803927	0	47	-1.0	-34.85	366.74	5.68	-29.17
CCC(CC)(NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300019803927	1	47	-1.0	-34.84	366.80	5.68	-29.16
CCC(CC)(NC(=O)C=CC1=CC=C(OC)C(OC)=C1OC)C1=N[N-]N=N1	REAL300019803928	0	51	-1.0	-39.55	404.32	4.93	-34.62
CCC(CC)(NC(=O)C=CC1=CC=C(OC)C(OC)=C1OC)C1=NN=N[N-]1	REAL300019803928	1	51	-1.0	-39.54	404.38	4.94	-34.60
CCC(CC)(NC(=O)C1=C2C(=O)NCCN2N=C1)C1=NN=N[N-]1	REAL300019803929	0	40	-1.0	-46.06	314.94	1.02	-45.04
CCC(CC)(NC(=O)C1=C2C(=O)NCCN2N=C1)C1=N[N-]N=N1	REAL300019803929	1	40	-1.0	-46.08	314.87	1.01	-45.07
CC=CC1=CC=C(OCC(=O)NC(CC)(CC)C2=N[N-]N=N2)C(OC)=C1	REAL300019803930	0	50	-1.0	-40.27	391.42	6.59	-33.68
CC=CC1=CC=C(OCC(=O)NC(CC)(CC)C2=NN=N[N-]2)C(OC)=C1	REAL300019803930	1	50	-1.0	-40.31	391.49	6.60	-33.71
CCC(CC)(NC(=O)C1CC(=O)CC12CCC2)C1=N[N-]N=N1	REAL300019803931	0	44	-1.0	-39.44	326.87	4.53	-34.91
CCC(CC)(NC(=O)C1CC(=O)CC12CCC2)C1=NN=N[N-]1	REAL300019803931	1	44	-1.0	-39.41	326.94	4.54	-34.87
CCC(CC)(NC(=O)C1=CN=C2NC=C(C)C2=C1)C1=NN=N[N-]1	REAL300019803932	0	41	-1.0	-39.16	324.20	4.42	-34.74
CCC(CC)(NC(=O)C1=CN=C2NC=C(C)C2=C1)C1=N[N-]N=N1	REAL300019803932	1	41	-1.0	-39.14	324.13	4.40	-34.74
CCC(CC)(NC(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019803933	0	59	-1.0	-39.37	436.45	4.17	-35.20
CCC(CC)(NC(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019803933	1	59	-1.0	-39.38	436.51	4.18	-35.20
CCC(CC)(NC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019803934	0	59	-1.0	-36.60	417.17	5.59	-31.01
CCC(CC)(NC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019803934	1	59	-1.0	-36.61	417.24	5.60	-31.01
CCC(CC)(NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=N[N-]N=N1	REAL300019803935	0	42	-1.0	-35.51	336.70	3.26	-32.25
CCC(CC)(NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=NN=N[N-]1	REAL300019803935	1	42	-1.0	-35.53	336.77	3.26	-32.27
CCC(CC)(NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019803936	0	52	-1.0	-38.47	376.20	6.75	-31.72
CCC(CC)(NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019803936	1	52	-1.0	-38.51	376.26	6.76	-31.75
CCC(CC)(NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=N[N-]N=N1	REAL300019803937	0	46	-1.0	-42.67	370.74	1.82	-40.85
CCC(CC)(NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=NN=N[N-]1	REAL300019803937	1	46	-1.0	-42.66	370.81	1.83	-40.83
CCC(CC)(NC(=O)C1CC2=CC=CN=C2C1)C1=N[N-]N=N1	REAL300019803938	0	41	-1.0	-37.30	317.68	4.40	-32.90
CCC(CC)(NC(=O)C1CC2=CC=CN=C2C1)C1=NN=N[N-]1	REAL300019803938	1	41	-1.0	-37.28	317.75	4.41	-32.87
CCC(CC)(NC(=O)C1=CC2=C(Br)C=CC=C2C=C1)C1=N[N-]N=N1	REAL300019803939	0	41	-1.0	-37.77	340.34	7.21	-30.56
CCC(CC)(NC(=O)C1=CC2=C(Br)C=CC=C2C=C1)C1=NN=N[N-]1	REAL300019803939	1	41	-1.0	-37.81	340.40	7.22	-30.59
CCC(CC)(NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019803940	0	47	-1.0	-37.77	372.14	8.22	-29.55
CCC(CC)(NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019803940	1	47	-1.0	-37.78	372.20	8.23	-29.55
CCC(CC)(NC(=O)C1=CC2=CC(C)=CC(F)=C2N=C1)C1=NN=N[N-]1	REAL300019803941	0	43	-1.0	-38.92	344.02	5.68	-33.24
CCC(CC)(NC(=O)C1=CC2=CC(C)=CC(F)=C2N=C1)C1=N[N-]N=N1	REAL300019803941	1	43	-1.0	-38.93	343.95	5.68	-33.25
CCC(CC)(NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL300019803942	0	41	-1.0	-43.19	338.99	0.72	-42.47
CCC(CC)(NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL300019803942	1	41	-1.0	-43.16	338.92	0.72	-42.44
CCC(CC)(NC(=O)C1=CC2=C(OC)C=CC(C)=C2N1)C1=N[N-]N=N1	REAL300019803943	0	46	-1.0	-37.25	360.31	4.33	-32.92
CCC(CC)(NC(=O)C1=CC2=C(OC)C=CC(C)=C2N1)C1=NN=N[N-]1	REAL300019803943	1	46	-1.0	-37.25	360.38	4.34	-32.91
CCCCOC1=CC=C(CC(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019803944	0	51	-1.0	-36.45	394.85	6.93	-29.52
CCCCOC1=CC=C(CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019803944	1	51	-1.0	-36.45	394.92	6.94	-29.51
CCC(CC)(NC(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019803945	0	52	-1.0	-51.26	413.57	2.83	-48.43
CCC(CC)(NC(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019803945	1	52	-1.0	-51.28	413.64	2.84	-48.44
CCC(CC)(NC(=O)C1=CC2=CC=C(OC)N=C2C=C1)C1=NN=N[N-]1	REAL300019803946	0	44	-1.0	-37.06	348.35	3.44	-33.62
CCC(CC)(NC(=O)C1=CC2=CC=C(OC)N=C2C=C1)C1=N[N-]N=N1	REAL300019803946	1	44	-1.0	-37.12	348.28	3.44	-33.68
CCC(CC)(NC(=O)C1=CN=C2SC(C)=CN12)C1=NN=N[N-]1	REAL300019803947	0	38	-1.0	-35.55	311.93	5.00	-30.55
CCC(CC)(NC(=O)C1=CN=C2SC(C)=CN12)C1=N[N-]N=N1	REAL300019803947	1	38	-1.0	-35.57	311.89	4.99	-30.58
CCC(CC)(NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019803948	0	45	-1.0	-39.62	372.78	5.20	-34.42
CCC(CC)(NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300019803948	1	45	-1.0	-39.61	372.85	5.21	-34.40
CCC(CC)(NC(=O)C1=CC(Cl)=C(Cl)S1)C1=N[N-]N=N1	REAL300019803949	0	32	-1.0	-31.57	301.02	4.54	-27.03
CCC(CC)(NC(=O)C1=CC(Cl)=C(Cl)S1)C1=NN=N[N-]1	REAL300019803949	1	32	-1.0	-31.60	301.09	4.55	-27.05
CCC(CC)(NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL300019803950	0	46	-1.0	-38.30	349.94	5.07	-33.23
CCC(CC)(NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300019803950	1	46	-1.0	-38.29	349.88	5.05	-33.24
CCC(CC)(NC(=O)C1CCC2(CC(OC)C2)CC1)C1=N[N-]N=N1	REAL300019803951	0	52	-1.0	-35.17	378.16	5.41	-29.76
CCC(CC)(NC(=O)C1CCC2(CC(OC)C2)CC1)C1=NN=N[N-]1	REAL300019803951	1	52	-1.0	-35.14	378.22	5.42	-29.72
CCCC(CCC1=CC=CC=C1)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803952	0	53	-1.0	-36.16	392.42	8.32	-27.84
CCCC(CCC1=CC=CC=C1)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803952	1	53	-1.0	-36.18	392.49	8.33	-27.85
CCC(C)(C)C1CCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1	REAL300019803953	0	56	-1.0	-33.82	384.67	7.17	-26.65
CCC(C)(C)C1CCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1	REAL300019803953	1	56	-1.0	-33.85	384.74	7.18	-26.67
CCC(CC)(NC(=O)C1=CC2=CC(C)=CC=C2N=C1)C1=NN=N[N-]1	REAL300019803954	0	43	-1.0	-37.46	338.59	5.49	-31.97
CCC(CC)(NC(=O)C1=CC2=CC(C)=CC=C2N=C1)C1=N[N-]N=N1	REAL300019803954	1	43	-1.0	-37.47	338.53	5.48	-31.99
CCC(CC)(NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=N[N-]N=N1	REAL300019803955	0	40	-1.0	-42.43	333.42	2.03	-40.40
CCC(CC)(NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=NN=N[N-]1	REAL300019803955	1	40	-1.0	-42.46	333.49	2.05	-40.41
CCC(CC)(NC(=O)C1CCC2(CC(=O)C2)CC1)C1=N[N-]N=N1	REAL300019803956	0	47	-1.0	-38.15	348.21	5.56	-32.59
CCC(CC)(NC(=O)C1CCC2(CC(=O)C2)CC1)C1=NN=N[N-]1	REAL300019803956	1	47	-1.0	-38.17	348.27	5.57	-32.60
CCC(CC)(NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300019803957	0	42	-1.0	-39.99	331.79	4.18	-35.81
CCC(CC)(NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300019803957	1	42	-1.0	-39.97	331.86	4.19	-35.78
CCC(CCC1=CC=CC=C1)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803958	0	50	-1.0	-36.06	372.94	7.52	-28.54
CCC(CCC1=CC=CC=C1)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803958	1	50	-1.0	-36.03	373.00	7.54	-28.49
CCC(CC)(NC(=O)C(F)(F)C1(OC)CCCC1)C1=N[N-]N=N1	REAL300019803959	0	45	-1.0	-33.82	333.73	3.98	-29.84
CCC(CC)(NC(=O)C(F)(F)C1(OC)CCCC1)C1=NN=N[N-]1	REAL300019803959	1	45	-1.0	-33.82	333.80	3.99	-29.83
CCC(CC)(NC(=O)CCC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300019803960	0	49	-1.0	-36.48	375.60	6.01	-30.47
CCC(CC)(NC(=O)CCC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300019803960	1	49	-1.0	-36.51	375.67	6.02	-30.49
CCC(CC)(NC(=O)C1CC12CCC(F)(F)CC2)C1=N[N-]N=N1	REAL300019803961	0	45	-1.0	-34.97	340.05	6.00	-28.97
CCC(CC)(NC(=O)C1CC12CCC(F)(F)CC2)C1=NN=N[N-]1	REAL300019803961	1	45	-1.0	-34.98	340.12	6.02	-28.96
CCC(CC)(NC(=O)C1=CC=C(C)C(Br)=N1)C1=NN=N[N-]1	REAL300019803962	0	37	-1.0	-39.41	312.82	3.80	-35.61
CCC(CC)(NC(=O)C1=CC=C(C)C(Br)=N1)C1=N[N-]N=N1	REAL300019803962	1	37	-1.0	-39.39	312.76	3.79	-35.60
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=N[N-]N=N1	REAL300019803963	0	45	-1.0	-34.29	356.26	5.71	-28.58
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=NN=N[N-]1	REAL300019803963	1	45	-1.0	-34.30	356.33	5.73	-28.57
CCC(CC)(NC(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=NN=N[N-]1	REAL300019803964	0	39	-1.0	-36.75	323.95	4.30	-32.45
CCC(CC)(NC(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=N[N-]N=N1	REAL300019803964	1	39	-1.0	-36.72	323.89	4.29	-32.43
CCC(CC)(NC(=O)C1=CC(C(=O)OC)=CS1)C1=N[N-]N=N1	REAL300019803965	0	38	-1.0	-37.49	323.11	4.20	-33.29
CCC(CC)(NC(=O)C1=CC(C(=O)OC)=CS1)C1=NN=N[N-]1	REAL300019803965	1	38	-1.0	-37.48	323.18	4.22	-33.26
CCC(CC)(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019803966	0	46	-1.0	-35.14	346.62	5.07	-30.07
CCC(CC)(NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019803966	1	46	-1.0	-35.13	346.56	5.06	-30.07
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300019803967	0	43	-1.0	-35.64	365.45	6.57	-29.07
CCC(CC)(NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300019803967	1	43	-1.0	-35.65	365.51	6.58	-29.07
CCC(CC)(NC(=O)CC1CC(OC)C1(C)C)C1=N[N-]N=N1	REAL300019803968	0	48	-1.0	-36.16	356.01	4.44	-31.72
CCC(CC)(NC(=O)CC1CC(OC)C1(C)C)C1=NN=N[N-]1	REAL300019803968	1	48	-1.0	-36.18	356.08	4.44	-31.74
CCC(CC)(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=NN=N[N-]1	REAL300019803969	0	49	-1.0	-44.86	373.29	5.97	-38.89
CCC(CC)(NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=N[N-]N=N1	REAL300019803969	1	49	-1.0	-44.88	373.22	5.96	-38.92
CCC(CC)(NC(=O)C1CCC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL300019803970	0	42	-1.0	-34.70	328.60	5.51	-29.19
CCC(CC)(NC(=O)C1CCC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL300019803970	1	42	-1.0	-34.74	328.67	5.52	-29.22
CCC(CC)(NC(=O)C1CCCC2C1C2(F)F)C1=N[N-]N=N1	REAL300019803971	0	42	-1.0	-37.80	317.46	5.43	-32.37
CCC(CC)(NC(=O)C1CCCC2C1C2(F)F)C1=NN=N[N-]1	REAL300019803971	1	42	-1.0	-37.84	317.52	5.44	-32.40
CCC(CC)(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=N[N-]N=N1	REAL300019803972	0	46	-1.0	-39.28	350.98	5.81	-33.47
CCC(CC)(NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=NN=N[N-]1	REAL300019803972	1	46	-1.0	-39.31	351.04	5.81	-33.50
CCC(CC)(NC(=O)CCC1=CC=CC(Br)=C1F)C1=N[N-]N=N1	REAL300019803973	0	41	-1.0	-37.28	347.94	6.56	-30.72
CCC(CC)(NC(=O)CCC1=CC=CC(Br)=C1F)C1=NN=N[N-]1	REAL300019803973	1	41	-1.0	-37.25	348.01	6.57	-30.68
CCC(CC)(NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=N[N-]N=N1	REAL300019803974	0	41	-1.0	-40.47	324.61	3.19	-37.28
CCC(CC)(NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=NN=N[N-]1	REAL300019803974	1	41	-1.0	-40.41	324.66	3.19	-37.22
CCC(CC)(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)OC)C1=N[N-]N=N1	REAL300019803975	0	46	-1.0	-42.58	339.53	3.73	-38.85
CCC(CC)(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)OC)C1=NN=N[N-]1	REAL300019803975	1	46	-1.0	-42.57	339.60	3.74	-38.83
CCC1=CC=C(C(=O)C(=O)NC(CC)(CC)C2=N[N-]N=N2)S1	REAL300019803976	0	40	-1.0	-36.23	331.36	4.91	-31.32
CCC1=CC=C(C(=O)C(=O)NC(CC)(CC)C2=NN=N[N-]2)S1	REAL300019803976	1	40	-1.0	-36.20	331.43	4.93	-31.27
CCC(CC)(NC(=O)C1=CC(F)=C(OC)C=C1Br)C1=N[N-]N=N1	REAL300019803977	0	39	-1.0	-35.81	327.72	4.44	-31.37
CCC(CC)(NC(=O)C1=CC(F)=C(OC)C=C1Br)C1=NN=N[N-]1	REAL300019803977	1	39	-1.0	-35.78	327.78	4.46	-31.32
CCC(CC)(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=N[N-]N=N1	REAL300019803978	0	53	-1.0	-35.93	401.62	4.15	-31.78
CCC(CC)(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=NN=N[N-]1	REAL300019803978	1	53	-1.0	-35.92	401.70	4.16	-31.76
CCC(CC)(NC(=O)C1=CC(C2CCCC2)=NN1)C1=N[N-]N=N1	REAL300019803979	0	45	-1.0	-33.68	342.22	4.00	-29.68
CCC(CC)(NC(=O)C1=CC(C2CCCC2)=NN1)C1=NN=N[N-]1	REAL300019803979	1	45	-1.0	-33.66	342.28	4.01	-29.65
CCC(CC)(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300019803980	0	47	-1.0	-36.45	366.19	3.00	-33.45
CCC(CC)(NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300019803980	1	47	-1.0	-36.47	366.25	3.01	-33.46
CCC(CC)(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=N[N-]N=N1	REAL300019803981	0	43	-1.0	-36.88	329.92	3.59	-33.29
CCC(CC)(NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NN=N[N-]1	REAL300019803981	1	43	-1.0	-36.89	329.98	3.60	-33.29
CCC(CC)(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300019803982	0	43	-1.0	-37.10	345.59	3.38	-33.72
CCC(CC)(NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300019803982	1	43	-1.0	-37.12	345.66	3.39	-33.73
CCC(CC)(NC(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C1=NN=N[N-]1	REAL300019803983	0	47	-1.0	-37.15	365.93	7.14	-30.01
CCC(CC)(NC(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C1=N[N-]N=N1	REAL300019803983	1	47	-1.0	-37.18	365.86	7.13	-30.05
CCC(CC)(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=N[N-]N=N1	REAL300019803984	0	42	-1.0	-36.57	325.16	1.09	-35.48
CCC(CC)(NC(=O)C1=CN=CC2=C1CCNC2=O)C1=NN=N[N-]1	REAL300019803984	1	42	-1.0	-36.54	325.23	1.10	-35.44
CCC(CC)(NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL300019803985	0	40	-1.0	-37.87	323.06	4.14	-33.73
CCC(CC)(NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL300019803985	1	40	-1.0	-37.90	323.13	4.16	-33.74
CCC(CC)(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=N[N-]N=N1	REAL300019803986	0	43	-1.0	-40.59	345.40	2.70	-37.89
CCC(CC)(NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=NN=N[N-]1	REAL300019803986	1	43	-1.0	-40.61	345.46	2.72	-37.89
CCC(CC)(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019803987	0	44	-1.0	-41.29	339.56	2.38	-38.91
CCC(CC)(NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019803987	1	44	-1.0	-41.28	339.50	2.38	-38.90
CCC(CC)(NC(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=NN=N[N-]1	REAL300019803988	0	39	-1.0	-44.06	330.55	3.64	-40.42
CCC(CC)(NC(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=N[N-]N=N1	REAL300019803988	1	39	-1.0	-44.09	330.48	3.63	-40.46
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019803989	0	55	-1.0	-35.51	419.35	2.22	-33.29
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803989	1	55	-1.0	-35.52	419.42	2.23	-33.29
CCC(CC)(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803990	0	58	-1.0	-37.28	424.84	5.70	-31.58
CCC(CC)(NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803990	1	58	-1.0	-37.24	424.90	5.71	-31.53
CCC(CC)(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019803991	0	55	-1.0	-41.08	410.86	3.71	-37.37
CCC(CC)(NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019803991	1	55	-1.0	-41.10	410.93	3.72	-37.38
CCC(CC)(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019803992	0	56	-1.0	-37.26	424.22	4.66	-32.60
CCC(CC)(NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019803992	1	56	-1.0	-37.23	424.29	4.67	-32.56
CCC(CC)(NC(=O)C(C)OC1=CC=CC=C1OC)C1=N[N-]N=N1	REAL300019803993	0	46	-1.0	-40.22	355.31	5.22	-35.00
CCC(CC)(NC(=O)C(C)OC1=CC=CC=C1OC)C1=NN=N[N-]1	REAL300019803993	1	46	-1.0	-40.22	355.38	5.24	-34.98
CCC(CC)(NC(=O)CN1N=CC(Cl)=C1C)C1=N[N-]N=N1	REAL300019803994	0	38	-1.0	-37.31	317.97	3.48	-33.83
CCC(CC)(NC(=O)CN1N=CC(Cl)=C1C)C1=NN=N[N-]1	REAL300019803994	1	38	-1.0	-37.29	318.03	3.49	-33.80
CCC(CC)(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300019803995	0	49	-1.0	-41.84	378.60	2.90	-38.94
CCC(CC)(NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300019803995	1	49	-1.0	-41.85	378.66	2.91	-38.94
CCC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL300019803996	0	44	-1.0	-36.14	352.20	6.22	-29.92
CCC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300019803996	1	44	-1.0	-36.13	352.26	6.23	-29.90
CCC(CC)(NC(=O)C1CCC(C2CCCO2)O1)C1=N[N-]N=N1	REAL300019803997	0	47	-1.0	-36.07	354.45	3.63	-32.44
CCC(CC)(NC(=O)C1CCC(C2CCCO2)O1)C1=NN=N[N-]1	REAL300019803997	1	47	-1.0	-36.11	354.52	3.64	-32.47
CCC(CC)(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=N[N-]N=N1	REAL300019803998	0	38	-1.0	-33.32	326.39	5.97	-27.35
CCC(CC)(NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NN=N[N-]1	REAL300019803998	1	38	-1.0	-33.35	326.46	5.97	-27.38
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=N[N-]N=N1	REAL300019803999	0	40	-1.0	-38.77	323.75	5.81	-32.96
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=NN=N[N-]1	REAL300019803999	1	40	-1.0	-38.78	323.80	5.81	-32.97
CCC(CC)(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300019804000	0	40	-1.0	-47.14	318.71	3.09	-44.05
CCC(CC)(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300019804000	1	40	-1.0	-47.12	318.64	3.08	-44.04
CCC(CC)(NC(=O)C1=CN=C2OCCCC2=C1)C1=NN=N[N-]1	REAL300019804001	0	42	-1.0	-38.46	324.68	1.98	-36.48
CCC(CC)(NC(=O)C1=CN=C2OCCCC2=C1)C1=N[N-]N=N1	REAL300019804001	1	42	-1.0	-38.45	324.61	1.97	-36.48
CCC(CC)(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=N[N-]N=N1	REAL300019804002	0	40	-1.0	-35.82	328.96	3.80	-32.02
CCC(CC)(NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NN=N[N-]1	REAL300019804002	1	40	-1.0	-35.84	329.03	3.80	-32.04
CCC(CC)(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019804003	0	44	-1.0	-33.78	353.64	6.82	-26.96
CCC(CC)(NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019804003	1	44	-1.0	-33.75	353.71	6.84	-26.91
CCC(CC)(NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=N[N-]N=N1	REAL300019804004	0	38	-1.0	-35.84	326.98	5.73	-30.11
CCC(CC)(NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=NN=N[N-]1	REAL300019804004	1	38	-1.0	-35.83	327.04	5.75	-30.08
CCC(CC)(NC(=O)C1CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019804005	0	43	-1.0	-35.95	331.48	6.66	-29.29
CCC(CC)(NC(=O)C1CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019804005	1	43	-1.0	-35.96	331.55	6.68	-29.28
CCC(CC)(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=N[N-]N=N1	REAL300019804006	0	46	-1.0	-42.30	370.33	0.68	-41.62
CCC(CC)(NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=NN=N[N-]1	REAL300019804006	1	46	-1.0	-42.35	370.40	0.69	-41.66
CCC(CC)(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=N[N-]N=N1	REAL300019804007	0	41	-1.0	-35.34	353.97	6.85	-28.49
CCC(CC)(NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=NN=N[N-]1	REAL300019804007	1	41	-1.0	-35.35	354.04	6.86	-28.49
CCC(CC)(NC(=O)C1=CN2C=NN=C2C=N1)C1=NN=N[N-]1	REAL300019804008	0	36	-1.0	-38.85	293.24	4.11	-34.74
CCC(CC)(NC(=O)C1=CN2C=NN=C2C=N1)C1=N[N-]N=N1	REAL300019804008	1	36	-1.0	-38.82	293.17	4.11	-34.71
CCC(CC)(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=N[N-]N=N1	REAL300019804009	0	48	-1.0	-35.56	383.64	7.91	-27.65
CCC(CC)(NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NN=N[N-]1	REAL300019804009	1	48	-1.0	-35.55	383.70	7.92	-27.63
CCC(CC)(NC(=O)CCN(OC)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019804010	0	52	-1.0	-37.54	399.43	4.50	-33.04
CCC(CC)(NC(=O)CCN(OC)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019804010	1	52	-1.0	-37.53	399.49	4.52	-33.01
CCC(CC)(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019804011	0	37	-1.0	-34.82	316.18	2.42	-32.40
CCC(CC)(NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019804011	1	37	-1.0	-34.87	316.24	2.43	-32.44
CCC(CC)(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300019804012	0	48	-1.0	-35.24	376.32	3.05	-32.19
CCC(CC)(NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300019804012	1	48	-1.0	-35.25	376.39	3.07	-32.18
CCC(CC)(NC(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL300019804013	0	40	-1.0	-36.53	311.72	4.79	-31.74
CCC(CC)(NC(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL300019804013	1	40	-1.0	-36.56	311.65	4.78	-31.78
CCC(CC)(NC(=O)C1=CC(C(=O)OC)=NC=C1F)C1=NN=N[N-]1	REAL300019804014	0	40	-1.0	-37.42	330.68	3.51	-33.91
CCC(CC)(NC(=O)C1=CC(C(=O)OC)=NC=C1F)C1=N[N-]N=N1	REAL300019804014	1	40	-1.0	-37.43	330.61	3.51	-33.92
CCC(CC)(NC(=O)C1=CC(C)=CC2=C1OCC2)C1=N[N-]N=N1	REAL300019804015	0	43	-1.0	-40.40	331.40	5.88	-34.52
CCC(CC)(NC(=O)C1=CC(C)=CC2=C1OCC2)C1=NN=N[N-]1	REAL300019804015	1	43	-1.0	-40.42	331.47	5.89	-34.53
CCC(CC)(NC(=O)C1=C2SC=CC2=CN=C1)C1=NN=N[N-]1	REAL300019804016	0	37	-1.0	-37.82	305.63	4.05	-33.77
CCC(CC)(NC(=O)C1=C2SC=CC2=CN=C1)C1=N[N-]N=N1	REAL300019804016	1	37	-1.0	-37.85	305.56	4.04	-33.81
CCC(CC)(NC(=O)C1CC2(CC(OC)C2)C1)C1=N[N-]N=N1	REAL300019804017	0	46	-1.0	-35.21	349.54	4.25	-30.96
CCC(CC)(NC(=O)C1CC2(CC(OC)C2)C1)C1=NN=N[N-]1	REAL300019804017	1	46	-1.0	-35.21	349.61	4.26	-30.95
CCC(CC)(NC(=O)CC1=CC=CC=C1COC(C)C)C1=N[N-]N=N1	REAL300019804018	0	51	-1.0	-36.16	391.89	6.61	-29.55
CCC(CC)(NC(=O)CC1=CC=CC=C1COC(C)C)C1=NN=N[N-]1	REAL300019804018	1	51	-1.0	-36.20	391.96	6.62	-29.58
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019804019	0	42	-1.0	-36.47	357.08	7.24	-29.23
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019804019	1	42	-1.0	-36.47	357.14	7.25	-29.22
CCC(CC)(NC(=O)CC1CCCNC(=O)C1)C1=N[N-]N=N1	REAL300019804020	0	45	-1.0	-45.17	332.75	1.97	-43.20
CCC(CC)(NC(=O)CC1CCCNC(=O)C1)C1=NN=N[N-]1	REAL300019804020	1	45	-1.0	-45.22	332.81	1.98	-43.24
CCC(CC)(NC(=O)CN1C=C(I)C=N1)C1=NN=N[N-]1	REAL300019804021	0	35	-1.0	-38.01	308.23	3.75	-34.26
CCC(CC)(NC(=O)CN1C=C(I)C=N1)C1=N[N-]N=N1	REAL300019804021	1	35	-1.0	-37.98	308.17	3.75	-34.23
CCC(CC)(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=NN=N[N-]1	REAL300019804022	0	38	-1.0	-35.46	321.89	5.50	-29.96
CCC(CC)(NC(=O)C1=CN=C2C=C(Br)C=CN12)C1=N[N-]N=N1	REAL300019804022	1	38	-1.0	-35.48	321.84	5.50	-29.98
CCC(CC)(NC(=O)C1=C2N=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300019804023	0	41	-1.0	-46.22	323.01	6.04	-40.18
CCC(CC)(NC(=O)C1=C2N=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300019804023	1	41	-1.0	-46.26	322.94	6.04	-40.22
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=N[N-]N=N1	REAL300019804024	0	41	-1.0	-36.93	333.17	2.90	-34.03
CCC(CC)(NC(=O)C1=CC(C2=CC=CC=N2)=NN1)C1=NN=N[N-]1	REAL300019804024	1	41	-1.0	-36.90	333.23	2.90	-34.00
CCC(CC)(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=NN=N[N-]1	REAL300019804025	0	45	-1.0	-46.13	363.85	0.81	-45.32
CCC(CC)(NC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=N[N-]N=N1	REAL300019804025	1	45	-1.0	-46.11	363.79	0.79	-45.32
CCC(CC)(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=NN=N[N-]1	REAL300019804026	0	35	-1.0	-33.10	309.68	0.90	-32.20
CCC(CC)(NC(=O)C1=NC(Cl)=C(Cl)N=C1N)C1=N[N-]N=N1	REAL300019804026	1	35	-1.0	-33.11	309.62	0.90	-32.21
CCC(CC)(NC(=O)C1=CC(Cl)=C(OC)C2=CC=CN=C12)C1=NN=N[N-]1	REAL300019804027	0	44	-1.0	-40.79	363.90	5.31	-35.48
CCC(CC)(NC(=O)C1=CC(Cl)=C(OC)C2=CC=CN=C12)C1=N[N-]N=N1	REAL300019804027	1	44	-1.0	-40.79	363.83	5.30	-35.49
CCC(CC)(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=NN=N[N-]1	REAL300019804028	0	50	-1.0	-38.82	385.41	4.48	-34.34
CCC(CC)(NC(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=N[N-]N=N1	REAL300019804028	1	50	-1.0	-38.85	385.33	4.47	-34.38
CCC(CC)(NC(=O)C1=CC=CN2N=NC=C12)C1=NN=N[N-]1	REAL300019804029	0	37	-1.0	-39.60	296.45	2.94	-36.66
CCC(CC)(NC(=O)C1=CC=CN2N=NC=C12)C1=N[N-]N=N1	REAL300019804029	1	37	-1.0	-39.62	296.39	2.92	-36.70
CCC(CC)(NC(=O)C1=CC=C(CN2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019804202	0	51	-1.0	-36.56	384.70	3.53	-33.03
CCC(CC)(NC(=O)C1=CC=C(CN2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019804202	1	51	-1.0	-36.56	384.76	3.55	-33.01
CCC(CC)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019804203	0	57	0.0	-58.16	415.79	8.79	-49.37
CCC(CC)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019804203	1	57	0.0	-58.17	415.85	8.80	-49.37
CCC(CC)(NC(=O)C1=CC=C(CN2CCOC(C)C2)C=C1)C1=N[N-]N=N1	REAL300019804204	0	54	-1.0	-36.26	404.99	4.08	-32.18
CCC(CC)(NC(=O)C1=CC=C(CN2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019804204	1	54	-1.0	-36.28	405.06	4.10	-32.18
CCC(CC)(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019804204	1	55	0.0	-63.49	401.64	6.53	-56.96
CCC(CC)(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019804204	1	55	0.0	-63.66	401.61	6.52	-57.14
CCNC(=O)N1CCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1	REAL300019804205	0	50	-1.0	-39.94	372.58	3.25	-36.69
CCNC(=O)N1CCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1	REAL300019804205	1	50	-1.0	-39.90	372.65	3.27	-36.63
CCC(CC)(NC(=O)C[C@H](C)C1=CC=C(C)C(OC)=C1)C1=N[N-]N=N1	REAL300019804206	0	51	-1.0	-35.77	384.90	6.39	-29.38
CCC(CC)(NC(=O)C[C@H](C)C1=CC=C(C)C(OC)=C1)C1=NN=N[N-]1	REAL300019804206	1	51	-1.0	-35.78	384.96	6.41	-29.37
C#CC1=CC=CC(OCC(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019804207	0	41	-1.0	-39.06	336.67	6.05	-33.01
C#CC1=CC=CC(OCC(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019804207	1	41	-1.0	-39.07	336.73	6.07	-33.00
CCC(CC)(NC(=O)C=CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300019804208	0	47	-1.0	-37.01	364.11	5.72	-31.29
CCC(CC)(NC(=O)C=CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300019804208	1	47	-1.0	-37.03	364.18	5.73	-31.30
CCC(CC)(NC(=O)C1CCCC2(CCC2)C1)C1=N[N-]N=N1	REAL300019804209	0	48	-1.0	-33.94	345.53	6.32	-27.62
CCC(CC)(NC(=O)C1CCCC2(CCC2)C1)C1=NN=N[N-]1	REAL300019804209	1	48	-1.0	-33.93	345.59	6.34	-27.59
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=NN1CC(C)C)C1=N[N-]N=N1	REAL300019804210	0	51	-1.0	-36.35	387.56	6.03	-30.32
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CC=NN1CC(C)C)C1=NN=N[N-]1	REAL300019804210	1	51	-1.0	-36.34	387.62	6.05	-30.29
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CN(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300019804211	0	51	-1.0	-37.74	395.79	6.69	-31.05
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CN(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300019804211	1	51	-1.0	-37.70	395.73	6.68	-31.02
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300019804212	0	49	-1.0	-39.42	388.95	7.70	-31.72
CCC(CC)(NC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300019804212	1	49	-1.0	-39.37	388.89	7.69	-31.68
CCC(CC)(NC(=O)C1CC2CCCCCCC21)C1=N[N-]N=N1	REAL300019804213	0	51	-1.0	-34.07	351.93	6.62	-27.45
CCC(CC)(NC(=O)C1CC2CCCCCCC21)C1=NN=N[N-]1	REAL300019804213	1	51	-1.0	-34.06	352.00	6.63	-27.43
CCC(CC)(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300019804214	0	58	-1.0	-37.56	415.59	5.59	-31.97
CCC(CC)(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300019804214	1	58	-1.0	-37.56	415.65	5.58	-31.98
CCC(CC)(NC(=O)C1=NN2CC3(CC3)CC2=C1)C1=N[N-]N=N1	REAL300019804215	0	43	-1.0	-41.26	337.22	4.38	-36.88
CCC(CC)(NC(=O)C1=NN2CC3(CC3)CC2=C1)C1=NN=N[N-]1	REAL300019804215	1	43	-1.0	-41.29	337.29	4.39	-36.90
CCC(CC)(NC(=O)C1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)C1=N[N-]N=N1	REAL300019804216	0	59	-1.0	-36.00	430.71	5.13	-30.87
CCC(CC)(NC(=O)C1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)C1=NN=N[N-]1	REAL300019804216	1	59	-1.0	-35.94	430.78	5.14	-30.80
CCC(CC)(NC(=O)C1CCC2(CC2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019804217	0	57	-1.0	-38.38	425.03	8.09	-30.29
CCC(CC)(NC(=O)C1CCC2(CC2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019804217	1	57	-1.0	-38.41	425.10	8.10	-30.31
CCC(CC)(NC(=O)CC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL300019804218	0	40	-1.0	-41.06	321.45	2.14	-38.92
CCC(CC)(NC(=O)CC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL300019804218	1	40	-1.0	-41.10	321.51	2.14	-38.96
CCC(CC)(NC(=O)C1=CN2N=CC(C#N)=C2N=C1C)C1=N[N-]N=N1	REAL300019804219	0	41	-1.0	-35.97	335.92	4.48	-31.49
CCC(CC)(NC(=O)C1=CN2N=CC(C#N)=C2N=C1C)C1=NN=N[N-]1	REAL300019804219	1	41	-1.0	-35.97	335.99	4.49	-31.48
CCC(CC)(NC(=O)C1=C(C)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL300019804220	0	41	-1.0	-40.10	324.91	5.20	-34.90
CCC(CC)(NC(=O)C1=C(C)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL300019804220	1	41	-1.0	-40.07	324.84	5.19	-34.88
CCC(CC)(NC(=O)C1=CC=NC(CC(C)C)=N1)C1=N[N-]N=N1	REAL300019804221	0	45	-1.0	-36.89	350.67	4.46	-32.43
CCC(CC)(NC(=O)C1=CC=NC(CC(C)C)=N1)C1=NN=N[N-]1	REAL300019804221	1	45	-1.0	-36.95	350.74	4.47	-32.48
CCC(CC)(NC(=O)COC1=NN(C)C=C1Br)C1=NN=N[N-]1	REAL300019804222	0	39	-1.0	-41.10	336.93	1.94	-39.16
CCC(CC)(NC(=O)COC1=NN(C)C=C1Br)C1=N[N-]N=N1	REAL300019804222	1	39	-1.0	-41.09	336.86	1.92	-39.17
CCC(CC)(NC(=O)C1=NN2C=CC=NC2=C1Cl)C1=NN=N[N-]1	REAL300019804223	0	37	-1.0	-45.04	316.67	3.74	-41.30
CCC(CC)(NC(=O)C1=NN2C=CC=NC2=C1Cl)C1=N[N-]N=N1	REAL300019804223	1	37	-1.0	-45.05	316.61	3.73	-41.32
CCC(CC)(NC(=O)[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019804224	0	55	-1.0	-37.93	419.21	3.87	-34.06
CCC(CC)(NC(=O)[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019804224	1	55	-1.0	-37.97	419.28	3.89	-34.08
CCC(CC)(NC(=O)C(CC1OCCO1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019804225	0	57	-1.0	-36.16	414.97	2.21	-33.95
CCC(CC)(NC(=O)C(CC1OCCO1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019804225	1	57	-1.0	-36.16	415.03	2.23	-33.93
CCC(CC)(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(C)C)C1=N[N-]N=N1	REAL300019804226	0	61	-1.0	-36.63	443.26	6.10	-30.53
CCC(CC)(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(C)C)C1=NN=N[N-]1	REAL300019804226	1	61	-1.0	-36.56	443.32	6.11	-30.45
CCC(CC)(NC(=O)[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019804227	0	55	-1.0	-37.29	420.67	3.90	-33.39
CCC(CC)(NC(=O)[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019804227	1	55	-1.0	-37.32	420.74	3.92	-33.40
CCC(CC)(NC(=O)[C@@]12C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019804228	0	53	-1.0	-38.49	404.69	3.91	-34.58
CCC(CC)(NC(=O)[C@@]12C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019804228	1	53	-1.0	-38.49	404.75	3.92	-34.57
CCC(CC)(NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)OC)C1=N[N-]N=N1	REAL300019804229	0	47	-1.0	-41.13	344.61	5.40	-35.73
CCC(CC)(NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)OC)C1=NN=N[N-]1	REAL300019804229	1	47	-1.0	-41.10	344.68	5.39	-35.71
CCC(CC)(NC(=O)C1=C2C=CC=CN2C(Br)=N1)C1=NN=N[N-]1	REAL300019804230	0	38	-1.0	-44.58	325.72	5.52	-39.06
CCC(CC)(NC(=O)C1=C2C=CC=CN2C(Br)=N1)C1=N[N-]N=N1	REAL300019804230	1	38	-1.0	-44.60	325.65	5.50	-39.10
CCC(CC)(NC(=O)C1=CC=CN(CCOC)C1=O)C1=N[N-]N=N1	REAL300019804231	0	45	-1.0	-58.09	351.34	4.09	-54.00
CCC(CC)(NC(=O)C1=CC=CN(CCOC)C1=O)C1=NN=N[N-]1	REAL300019804231	1	45	-1.0	-58.12	351.41	4.11	-54.01
CCC(CC)(NC(=O)C1=CC=CC2=C1NC(=O)CC2)C1=N[N-]N=N1	REAL300019804232	0	43	-1.0	-41.80	329.92	4.15	-37.65
CCC(CC)(NC(=O)C1=CC=CC2=C1NC(=O)CC2)C1=NN=N[N-]1	REAL300019804232	1	43	-1.0	-41.78	329.98	4.15	-37.63
CCC(CC)(NC(=O)C1=NN(CC(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300019804233	0	38	-1.0	-44.56	335.94	4.10	-40.46
CCC(CC)(NC(=O)C1=NN(CC(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300019804233	1	38	-1.0	-44.59	335.88	4.09	-40.50
CCC(CC)(NC(=O)C(F)(F)C1=CC(F)=CC=C1C)C1=NN=N[N-]1	REAL300019804234	0	41	-1.0	-34.26	328.11	5.61	-28.65
CCC(CC)(NC(=O)C(F)(F)C1=CC(F)=CC=C1C)C1=N[N-]N=N1	REAL300019804234	1	41	-1.0	-34.23	328.05	5.59	-28.64
CCC(CC)(NC(=O)C1=CC=CN(C2CCC2)C1=O)C1=N[N-]N=N1	REAL300019804235	0	45	-1.0	-53.67	342.09	5.41	-48.26
CCC(CC)(NC(=O)C1=CC=CN(C2CCC2)C1=O)C1=NN=N[N-]1	REAL300019804235	1	45	-1.0	-53.71	342.16	5.42	-48.29
CCC(CC)(NC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019804236	0	40	-1.0	-48.42	338.55	4.85	-43.57
CCC(CC)(NC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019804236	1	40	-1.0	-48.39	338.48	4.84	-43.55
CCC(CC)(NC(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300019804237	0	38	-1.0	-35.54	321.14	5.28	-30.26
CCC(CC)(NC(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300019804237	1	38	-1.0	-35.51	321.07	5.26	-30.25
CCC(CC)([N-]C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300019804237	1	37	-2.0	-101.04	317.95	4.02	-97.02
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL300019804238	0	38	-1.0	-38.77	321.06	5.29	-33.48
CCC(CC)(NC(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300019804238	1	38	-1.0	-38.78	320.99	5.28	-33.50
CCC(CC)([N-]C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300019804238	1	37	-2.0	-105.53	318.63	3.91	-101.62
CCC1=CC=CC=C1C(F)(F)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019804239	0	44	-1.0	-35.30	337.24	6.03	-29.27
CCC1=CC=CC=C1C(F)(F)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019804239	1	44	-1.0	-35.27	337.30	6.05	-29.22
CCC(CC)(NC(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=NN=N[N-]1	REAL300019804240	0	46	-1.0	-43.17	360.07	5.51	-37.66
CCC(CC)(NC(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=N[N-]N=N1	REAL300019804240	1	46	-1.0	-43.20	360.00	5.50	-37.70
CCC(CC)(NC(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=N[N-]N=N1	REAL300019804241	0	46	-1.0	-38.79	349.89	4.00	-34.79
CCC(CC)(NC(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=NN=N[N-]1	REAL300019804241	1	46	-1.0	-38.80	349.95	4.01	-34.79
CCC(CC)(NC(=O)C1CC(=O)N(C(C)C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL300019804242	0	52	-1.0	-39.62	402.23	6.96	-32.66
CCC(CC)(NC(=O)C1CC(=O)N(C(C)C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL300019804242	1	52	-1.0	-39.59	402.30	6.98	-32.61
CCC(CC)(NC(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=NN=N[N-]1	REAL300019804243	0	37	-1.0	-38.52	326.67	4.41	-34.11
CCC(CC)(NC(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=N[N-]N=N1	REAL300019804243	1	37	-1.0	-38.54	326.60	4.39	-34.15
CCC(CC)(NC(=O)CC1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL300019804244	0	41	-1.0	-49.18	326.84	3.29	-45.89
CCC(CC)(NC(=O)CC1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL300019804244	1	41	-1.0	-49.19	326.91	3.30	-45.89
CCC(CC)(NC(=O)CC1=CNC2=C(OC)C=CC=C12)C1=N[N-]N=N1	REAL300019804245	0	46	-1.0	-40.19	361.93	4.45	-35.74
CCC(CC)(NC(=O)CC1=CNC2=C(OC)C=CC=C12)C1=NN=N[N-]1	REAL300019804245	1	46	-1.0	-40.22	361.99	4.47	-35.75
CCC(CC)(NC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL300019804246	0	39	-1.0	-32.66	332.55	4.93	-27.73
CCC(CC)(NC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL300019804246	1	39	-1.0	-32.69	332.62	4.95	-27.74
CCC(CC)(NC(=O)CC1=CC=C(C(=O)OC)C=C1C)C1=N[N-]N=N1	REAL300019804247	0	47	-1.0	-38.51	372.01	6.25	-32.26
CCC(CC)(NC(=O)CC1=CC=C(C(=O)OC)C=C1C)C1=NN=N[N-]1	REAL300019804247	1	47	-1.0	-38.48	372.07	6.26	-32.22
CCC(CC)(NC(=O)C1=CC2=C(COCC2)N=C1Cl)C1=N[N-]N=N1	REAL300019804248	0	42	-1.0	-35.05	336.71	3.26	-31.79
CCC(CC)(NC(=O)C1=CC2=C(COCC2)N=C1Cl)C1=NN=N[N-]1	REAL300019804248	1	42	-1.0	-35.07	336.78	3.27	-31.80
CCC(CC)(NC(=O)C1=CN(C)C(C)=C(Br)C1=O)C1=N[N-]N=N1	REAL300019804249	0	41	-1.0	-56.42	334.94	4.87	-51.55
CCC(CC)(NC(=O)C1=CN(C)C(C)=C(Br)C1=O)C1=NN=N[N-]1	REAL300019804249	1	41	-1.0	-56.39	335.00	4.89	-51.50
CCC(CC)(NC(=O)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL300019804250	0	45	-1.0	-37.20	372.84	7.12	-30.08
CCC(CC)(NC(=O)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL300019804250	1	45	-1.0	-37.20	372.90	7.12	-30.08
CCC(CC)(NC(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=N[N-]N=N1	REAL300019804251	0	44	-1.0	-55.41	353.92	1.06	-54.35
CCC(CC)(NC(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=NN=N[N-]1	REAL300019804251	1	44	-1.0	-55.38	353.99	1.08	-54.30
CCC(CC)(NC(=O)C1=CC2=C(Br)C=CC(F)=C2N1)C1=N[N-]N=N1	REAL300019804252	0	39	-1.0	-34.51	337.03	5.04	-29.47
CCC(CC)(NC(=O)C1=CC2=C(Br)C=CC(F)=C2N1)C1=NN=N[N-]1	REAL300019804252	1	39	-1.0	-34.52	337.09	5.05	-29.47
CCC(CC)(NC(=O)C1=C(C)C2=CC(C3=CC=CC=C3)=CC=C2N1)C1=N[N-]N=N1	REAL300019804253	0	52	-1.0	-35.99	400.55	8.58	-27.41
CCC(CC)(NC(=O)C1=C(C)C2=CC(C3=CC=CC=C3)=CC=C2N1)C1=NN=N[N-]1	REAL300019804253	1	52	-1.0	-35.99	400.61	8.58	-27.41
CCC(CC)(NC(=O)C1=C(C)C2=C(CCCC2)N1)C1=N[N-]N=N1	REAL300019804254	0	46	-1.0	-35.66	343.39	5.44	-30.22
CCC(CC)(NC(=O)C1=C(C)C2=C(CCCC2)N1)C1=NN=N[N-]1	REAL300019804254	1	46	-1.0	-35.68	343.46	5.44	-30.24
CCC(CC)(NC(=O)C1=CC(CC2CCC2)=CN1)C1=N[N-]N=N1	REAL300019804255	0	46	-1.0	-35.51	353.70	5.88	-29.63
CCC(CC)(NC(=O)C1=CC(CC2CCC2)=CN1)C1=NN=N[N-]1	REAL300019804255	1	46	-1.0	-35.51	353.76	5.88	-29.63
CCC(CC)(NC(=O)CC1=CC(C(=O)OC)=CS1)C1=N[N-]N=N1	REAL300019804256	0	41	-1.0	-39.37	346.93	4.91	-34.46
CCC(CC)(NC(=O)CC1=CC(C(=O)OC)=CS1)C1=NN=N[N-]1	REAL300019804256	1	41	-1.0	-39.37	346.99	4.92	-34.45
CCC(CC)(NC(=O)CC1=CC=C(C(=O)OC)C(F)=C1)C1=N[N-]N=N1	REAL300019804257	0	44	-1.0	-40.67	359.08	5.92	-34.75
CCC(CC)(NC(=O)CC1=CC=C(C(=O)OC)C(F)=C1)C1=NN=N[N-]1	REAL300019804257	1	44	-1.0	-40.66	359.14	5.93	-34.73
CCCCN1C=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)N=N1	REAL300019804258	0	43	-1.0	-41.25	341.56	3.18	-38.07
CCCCN1C=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)N=N1	REAL300019804258	1	43	-1.0	-41.28	341.49	3.16	-38.12
CCC(CC)(NC(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=N[N-]N=N1	REAL300019804259	0	44	-1.0	-41.62	341.80	3.19	-38.43
CCC(CC)(NC(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=NN=N[N-]1	REAL300019804259	1	44	-1.0	-41.61	341.87	3.21	-38.40
CCC(CC)(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL300019804260	0	52	-1.0	-39.58	402.51	6.93	-32.65
CCC(CC)(NC(=O)C1CC(=O)N([C@@H](C)C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL300019804260	1	52	-1.0	-39.60	402.58	6.94	-32.66
CCC(CC)(NC(=O)C1CCC2(CNC(=O)C2)CC1)C1=N[N-]N=N1	REAL300019804261	0	49	-1.0	-39.30	357.77	2.51	-36.79
CCC(CC)(NC(=O)C1CCC2(CNC(=O)C2)CC1)C1=NN=N[N-]1	REAL300019804261	1	49	-1.0	-39.32	357.84	2.52	-36.80
CCC(CC)(NC(=O)[C@H]1[C@@H](C(=O)OC)C1(C)C)C1=N[N-]N=N1	REAL300019804262	0	44	-1.0	-38.14	328.51	4.57	-33.57
CCC(CC)(NC(=O)[C@H]1[C@@H](C(=O)OC)C1(C)C)C1=NN=N[N-]1	REAL300019804262	1	44	-1.0	-38.15	328.58	4.58	-33.57
CCC(CC)(NC(=O)C1=C2CCCCC2=C(C(=O)OC)S1)C1=N[N-]N=N1	REAL300019804263	0	48	-1.0	-35.29	379.74	6.61	-28.68
CCC(CC)(NC(=O)C1=C2CCCCC2=C(C(=O)OC)S1)C1=NN=N[N-]1	REAL300019804263	1	48	-1.0	-35.28	379.81	6.63	-28.65
CCC(CC)(NC(=O)C1CC(C2CCOCC2)=NO1)C1=N[N-]N=N1	REAL300019804264	0	47	-1.0	-39.24	359.08	3.70	-35.54
CCC(CC)(NC(=O)C1CC(C2CCOCC2)=NO1)C1=NN=N[N-]1	REAL300019804264	1	47	-1.0	-39.29	359.14	3.70	-35.59
CCC(CC)(NC(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300019804265	0	46	-1.0	-39.93	365.67	6.61	-33.32
CCC(CC)(NC(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300019804265	1	46	-1.0	-39.92	365.73	6.61	-33.31
CCC(CC)(NC(=O)C1CC2(C1)CC(C)=NO2)C1=N[N-]N=N1	REAL300019804266	0	43	-1.0	-38.83	333.09	3.62	-35.21
CCC(CC)(NC(=O)C1CC2(C1)CC(C)=NO2)C1=NN=N[N-]1	REAL300019804266	1	43	-1.0	-38.82	333.15	3.63	-35.19
CCC(CC)(NC(=O)C1=C(N)C2=CC=C(CC(C)C)N=C2S1)C1=N[N-]N=N1	REAL300019804267	0	51	-1.0	-42.23	397.93	5.43	-36.80
CCC(CC)(NC(=O)C1=C(N)C2=CC=C(CC(C)C)N=C2S1)C1=NN=N[N-]1	REAL300019804267	1	51	-1.0	-42.21	398.00	5.44	-36.77
CCCC1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=NN1C	REAL300019804268	0	44	-1.0	-40.49	344.34	4.23	-36.26
CCCC1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=NN1C	REAL300019804268	1	44	-1.0	-40.49	344.41	4.25	-36.24
CCCC1=NN(C)C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=C1	REAL300019804269	0	44	-1.0	-33.96	341.05	4.29	-29.67
CCCC1=NN(C)C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=C1	REAL300019804269	1	44	-1.0	-34.01	341.11	4.31	-29.70
CCC(CC)(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=N[N-]N=N1	REAL300019804270	0	50	0.0	-52.29	344.39	5.40	-46.89
CCC(CC)(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=NN=N[N-]1	REAL300019804270	1	50	0.0	-52.30	344.45	5.41	-46.89
CCC(CC)(NC(=O)C1CC(=O)N([C@H](C)C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL300019804271	0	52	-1.0	-43.24	399.62	6.90	-36.34
CCC(CC)(NC(=O)C1CC(=O)N([C@H](C)C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL300019804271	1	52	-1.0	-43.21	399.69	6.91	-36.30
CCC(CC)(NC(=O)C1=C2CCCCC2=NNC1=O)C1=N[N-]N=N1	REAL300019804272	0	44	-1.0	-44.52	330.69	2.70	-41.82
CCC(CC)(NC(=O)C1=C2CCCCC2=NNC1=O)C1=NN=N[N-]1	REAL300019804272	1	44	-1.0	-44.54	330.75	2.71	-41.83
CCC(CC)(NC(=O)C1=CC=C(N2CCCNS2(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019804273	0	49	-1.0	-43.65	381.73	1.44	-42.21
CCC(CC)(NC(=O)C1=CC=C(N2CCCNS2(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019804273	1	49	-1.0	-43.65	381.80	1.45	-42.20
CCC(CC)(NC(=O)C1=NOC(CC(C)C)=C1)C1=N[N-]N=N1	REAL300019804274	0	43	-1.0	-37.14	336.07	4.69	-32.45
CCC(CC)(NC(=O)C1=NOC(CC(C)C)=C1)C1=NN=N[N-]1	REAL300019804274	1	43	-1.0	-37.11	336.14	4.69	-32.42
CCC(CC)(NC(=O)C1=NOC(C2CC2)=C1C)C1=N[N-]N=N1	REAL300019804275	0	41	-1.0	-38.02	324.96	4.85	-33.17
CCC(CC)(NC(=O)C1=NOC(C2CC2)=C1C)C1=NN=N[N-]1	REAL300019804275	1	41	-1.0	-38.00	325.03	4.86	-33.14
CCC(CC)(NC(=O)C1=CN=C(C2CCOCC2)S1)C1=N[N-]N=N1	REAL300019804276	0	45	-1.0	-36.42	358.24	3.28	-33.14
CCC(CC)(NC(=O)C1=CN=C(C2CCOCC2)S1)C1=NN=N[N-]1	REAL300019804276	1	45	-1.0	-36.41	358.31	3.28	-33.13
CCC(CC)(NC(=O)C12CC(C(F)(F)F)(C1)CO2)C1=N[N-]N=N1	REAL300019804277	0	40	-1.0	-34.43	325.44	2.99	-31.44
CCC(CC)(NC(=O)C12CC(C(F)(F)F)(C1)CO2)C1=NN=N[N-]1	REAL300019804277	1	40	-1.0	-34.41	325.50	3.01	-31.40
CCC(CC)(NC(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300019804278	0	45	-1.0	-34.67	365.04	4.17	-30.50
CCC(CC)(NC(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300019804278	1	45	-1.0	-34.62	365.11	4.18	-30.44
CCC(CC)(NC(=O)C1=CN=C2COCCC2=C1)C1=N[N-]N=N1	REAL300019804279	0	42	-1.0	-36.06	324.81	2.70	-33.36
CCC(CC)(NC(=O)C1=CN=C2COCCC2=C1)C1=NN=N[N-]1	REAL300019804279	1	42	-1.0	-36.08	324.88	2.71	-33.37
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019804280	0	43	-1.0	-32.85	337.87	6.64	-26.21
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019804280	1	43	-1.0	-32.86	337.93	6.64	-26.22
CCC(CC)(NC(=O)C1=NN(CC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300019804281	0	41	-1.0	-41.91	339.42	3.93	-37.98
CCC(CC)(NC(=O)C1=NN(CC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300019804281	1	41	-1.0	-41.89	339.49	3.94	-37.95
CCC(CC)(NC(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL300019804282	0	42	-1.0	-37.38	341.68	6.45	-30.93
CCC(CC)(NC(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL300019804282	1	42	-1.0	-37.41	341.75	6.46	-30.95
CCC(CC)(NC(=O)C1=NOC(C2=CC=CC=C2)=C1C)C1=NN=N[N-]1	REAL300019804283	0	44	-1.0	-38.02	353.18	6.15	-31.87
CCC(CC)(NC(=O)C1=NOC(C2=CC=CC=C2)=C1C)C1=N[N-]N=N1	REAL300019804283	1	44	-1.0	-38.04	353.12	6.13	-31.91
CCC(CC)(NC(=O)C=CC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300019804284	0	36	-1.0	-35.64	320.52	5.29	-30.35
CCC(CC)(NC(=O)C=CC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300019804284	1	36	-1.0	-35.63	320.59	5.30	-30.33
CCC(CC)(NC(=O)C=CC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL300019804285	0	36	-1.0	-35.88	320.46	5.26	-30.62
CCC(CC)(NC(=O)C=CC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL300019804285	1	36	-1.0	-35.89	320.52	5.27	-30.62
CCC(CC)(NC(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL300019804286	0	40	-1.0	-35.73	327.92	3.23	-32.50
CCC(CC)(NC(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL300019804286	1	40	-1.0	-35.74	327.85	3.23	-32.51
CCC(CC)(NC(=O)C1=CC(F)=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL300019804287	0	40	-1.0	-36.13	318.15	4.99	-31.14
CCC(CC)(NC(=O)C1=CC(F)=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL300019804287	1	40	-1.0	-36.15	318.09	4.98	-31.17
CCC(CC)(NC(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=N[N-]N=N1	REAL300019804288	0	44	-1.0	-39.59	345.37	4.22	-35.37
CCC(CC)(NC(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=NN=N[N-]1	REAL300019804288	1	44	-1.0	-39.53	345.44	4.23	-35.30
CCC(CC)(NC(=O)C#CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019804289	0	37	-1.0	-35.15	320.35	5.92	-29.23
CCC(CC)(NC(=O)C#CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019804289	1	37	-1.0	-35.14	320.41	5.94	-29.20
CCC(CC)(NC(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019804290	0	53	-1.0	-37.82	396.34	5.26	-32.56
CCC(CC)(NC(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019804290	1	53	-1.0	-37.83	396.41	5.28	-32.55
CCC(CC)(NC(=O)C1=NOC(COC2=CC=C(F)C=C2F)=C1)C1=N[N-]N=N1	REAL300019804291	0	45	-1.0	-42.34	379.01	5.27	-37.07
CCC(CC)(NC(=O)C1=NOC(COC2=CC=C(F)C=C2F)=C1)C1=NN=N[N-]1	REAL300019804291	1	45	-1.0	-42.34	379.08	5.29	-37.05
CCC(CC)(NC(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300019804292	0	44	-1.0	-37.04	352.49	4.78	-32.26
CCC(CC)(NC(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300019804292	1	44	-1.0	-37.04	352.42	4.76	-32.28
CCC(CC)(NC(=O)C1=CC2=NNN=C2C(C)=C1)C1=N[N-]N=N1	REAL300019804293	0	40	-1.0	-36.40	316.32	2.47	-33.93
CCC(CC)(NC(=O)C1=CC2=NNN=C2C(C)=C1)C1=NN=N[N-]1	REAL300019804293	1	40	-1.0	-36.38	316.38	2.47	-33.91
CCC(CC)(NC(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=NN=N[N-]1	REAL300019804294	0	42	-1.0	-42.77	336.32	6.59	-36.18
CCC(CC)(NC(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=N[N-]N=N1	REAL300019804294	1	42	-1.0	-42.78	336.25	6.58	-36.20
CCC(CC)(NC(=O)CCC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL300019804295	0	43	-1.0	-40.35	343.62	2.83	-37.52
CCC(CC)(NC(=O)CCC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL300019804295	1	43	-1.0	-40.39	343.69	2.84	-37.55
CCC(CC)(NC(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=N[N-]N=N1	REAL300019804296	0	42	-1.0	-34.75	346.30	5.44	-29.31
CCC(CC)(NC(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=NN=N[N-]1	REAL300019804296	1	42	-1.0	-34.77	346.36	5.45	-29.32
CCC(CC)(NC(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=N[N-]N=N1	REAL300019804297	0	44	-1.0	-36.39	347.10	5.40	-30.99
CCC(CC)(NC(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=NN=N[N-]1	REAL300019804297	1	44	-1.0	-36.39	347.17	5.41	-30.98
CCC(CC)(NC(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=NN=N[N-]1	REAL300019804298	0	42	-1.0	-36.78	338.66	2.66	-34.12
CCC(CC)(NC(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=N[N-]N=N1	REAL300019804298	1	42	-1.0	-36.76	338.59	2.65	-34.11
CCC(CC)(NC(=O)C1=CC=CC(C(N)=O)=C1C)C1=N[N-]N=N1	REAL300019804299	0	42	-1.0	-41.48	319.75	2.02	-39.46
CCC(CC)(NC(=O)C1=CC=CC(C(N)=O)=C1C)C1=NN=N[N-]1	REAL300019804299	1	42	-1.0	-41.46	319.82	2.02	-39.44
CCC(CC)(NC(=O)CC1=CC(Cl)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019804300	0	38	-1.0	-34.31	337.75	6.35	-27.96
CCC(CC)(NC(=O)CC1=CC(Cl)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019804300	1	38	-1.0	-34.30	337.81	6.35	-27.95
CCC(CC)(NC(=O)CC1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL300019804301	0	41	-1.0	-38.31	342.12	3.61	-34.70
CCC(CC)(NC(=O)CC1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL300019804301	1	41	-1.0	-38.31	342.19	3.62	-34.69
CCC(CC)(NC(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=N[N-]N=N1	REAL300019804302	0	42	-1.0	-40.07	345.56	4.53	-35.54
CCC(CC)(NC(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=NN=N[N-]1	REAL300019804302	1	42	-1.0	-40.06	345.63	4.53	-35.53
CCC1=CN2CCC(C(=O)NC(CC)(CC)C3=N[N-]N=N3)CC2=N1	REAL300019804303	0	48	-1.0	-39.60	364.04	5.92	-33.68
CCC1=CN2CCC(C(=O)NC(CC)(CC)C3=NN=N[N-]3)CC2=N1	REAL300019804303	1	48	-1.0	-39.62	364.10	5.93	-33.69
CCC(CC)(NC(=O)CC1CCCC2CCCCC12)C1=N[N-]N=N1	REAL300019804304	0	54	-1.0	-33.44	370.47	7.43	-26.01
CCC(CC)(NC(=O)CC1CCCC2CCCCC12)C1=NN=N[N-]1	REAL300019804304	1	54	-1.0	-33.44	370.52	7.44	-26.00
CCC(CC)(NC(=O)C1=CSC2=CC=CC(OC)=C12)C1=NN=N[N-]1	REAL300019804305	0	42	-1.0	-39.04	335.95	6.31	-32.73
CCC(CC)(NC(=O)C1=CSC2=CC=CC(OC)=C12)C1=N[N-]N=N1	REAL300019804305	1	42	-1.0	-39.01	335.89	6.30	-32.71
CCC(CC)(NC(=O)C1=C2C=CC=CC2=NS1)C1=NN=N[N-]1	REAL300019804306	0	37	-1.0	-36.40	306.77	4.39	-32.01
CCC(CC)(NC(=O)C1=C2C=CC=CC2=NS1)C1=N[N-]N=N1	REAL300019804306	1	37	-1.0	-36.37	306.70	4.38	-31.99
CCC(CC)(NC(=O)[C@@H]1[C@H](C(F)F)C1(C)C)C1=N[N-]N=N1	REAL300019804307	0	41	-1.0	-37.44	303.74	4.59	-32.85
CCC(CC)(NC(=O)[C@@H]1[C@H](C(F)F)C1(C)C)C1=NN=N[N-]1	REAL300019804307	1	41	-1.0	-37.47	303.80	4.60	-32.87
CCC(CC)(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300019804308	0	40	-1.0	-47.14	318.71	3.09	-44.05
CCC(CC)(NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300019804308	1	40	-1.0	-47.12	318.64	3.08	-44.04
CCC(CC)(NC(=O)C1=C2SC(Br)=CN2C=N1)C1=NN=N[N-]1	REAL300019804309	0	35	-1.0	-41.13	317.76	5.63	-35.50
CCC(CC)(NC(=O)C1=C2SC(Br)=CN2C=N1)C1=N[N-]N=N1	REAL300019804309	1	35	-1.0	-41.13	317.69	5.62	-35.51
CCC(CC)(NC(=O)C1=CN=C(OC)N=C1C)C1=N[N-]N=N1	REAL300019804310	0	40	-1.0	-34.17	314.39	-0.19	-34.36
CCC(CC)(NC(=O)C1=CN=C(OC)N=C1C)C1=NN=N[N-]1	REAL300019804310	1	40	-1.0	-34.15	314.46	-0.17	-34.32
CCC(CC)(NC(=O)CC1(CC(=O)OC)CC1)C1=N[N-]N=N1	REAL300019804311	0	44	-1.0	-36.15	344.39	4.84	-31.31
CCC(CC)(NC(=O)CC1(CC(=O)OC)CC1)C1=NN=N[N-]1	REAL300019804311	1	44	-1.0	-36.19	344.47	4.84	-31.35
CCC(CC)(NC(=O)C(C)CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300019804312	0	43	-1.0	-35.46	332.26	4.62	-30.84
CCC(CC)(NC(=O)C(C)CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019804312	1	43	-1.0	-35.47	332.33	4.64	-30.83
CCC(CC)(NC(=O)C1CC(N2C=CN=C2)C1)C1=N[N-]N=N1	REAL300019804313	0	42	-1.0	-39.66	325.97	5.44	-34.22
CCC(CC)(NC(=O)C1CC(N2C=CN=C2)C1)C1=NN=N[N-]1	REAL300019804313	1	42	-1.0	-39.61	326.04	5.45	-34.16
CCC(CC)(NC(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL300019804314	0	41	-1.0	-42.96	335.33	4.38	-38.58
CCC(CC)(NC(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL300019804314	1	41	-1.0	-42.98	335.39	4.40	-38.58
CCC(CC)(NC(=O)C(O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019804315	0	42	-1.0	-34.93	330.02	3.69	-31.24
CCC(CC)(NC(=O)C(O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019804315	1	42	-1.0	-34.93	330.09	3.71	-31.22
CCC(CC)(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300019804316	0	55	-1.0	-43.43	428.20	2.95	-40.48
CCC(CC)(NC(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300019804316	1	55	-1.0	-43.44	428.13	2.95	-40.49
CCC(CC)(NC(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019804317	0	55	-1.0	-36.36	408.71	5.20	-31.16
CCC(CC)(NC(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019804317	1	55	-1.0	-36.37	408.77	5.22	-31.15
CCC(CC)(NC(=O)C1=CC2=C(CCCC2=O)N1)C1=N[N-]N=N1	REAL300019804318	0	42	-1.0	-41.28	329.21	3.79	-37.49
CCC(CC)(NC(=O)C1=CC2=C(CCCC2=O)N1)C1=NN=N[N-]1	REAL300019804318	1	42	-1.0	-41.27	329.27	3.80	-37.47
CCC(CC)(NC(=O)C1=C(N)C2=CC=C(C(C)(C)C)N=C2S1)C1=NN=N[N-]1	REAL300019804319	0	51	-1.0	-42.46	398.05	4.76	-37.70
CCC(CC)(NC(=O)C1=C(N)C2=CC=C(C(C)(C)C)N=C2S1)C1=N[N-]N=N1	REAL300019804319	1	51	-1.0	-42.46	397.98	4.74	-37.72
CCC(CC)(NC(=O)C1=COC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL300019804320	0	42	-1.0	-41.11	342.79	4.39	-36.72
CCC(CC)(NC(=O)C1=COC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL300019804320	1	42	-1.0	-41.14	342.72	4.39	-36.75
CCC(CC)(NC(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=NN=N[N-]1	REAL300019804321	0	40	-1.0	-44.55	327.68	5.05	-39.50
CCC(CC)(NC(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=N[N-]N=N1	REAL300019804321	1	40	-1.0	-44.57	327.61	5.05	-39.52
CCC(CC)(NC(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019804322	0	43	-1.0	-38.45	339.90	5.97	-32.48
CCC(CC)(NC(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019804322	1	43	-1.0	-38.42	339.84	5.97	-32.45
CCC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C(F)=C1	REAL300019804323	0	41	-1.0	-37.04	322.49	6.07	-30.97
CCC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C(F)=C1	REAL300019804323	1	41	-1.0	-37.07	322.55	6.07	-31.00
CCC(CC)(NC(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019804324	0	57	-1.0	-33.83	384.31	5.35	-28.48
CCC(CC)(NC(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019804324	1	57	-1.0	-33.80	384.37	5.36	-28.44
CCC(CC)(NC(=O)C(=O)C1=CC=C(Br)C=C1OC)C1=N[N-]N=N1	REAL300019804325	0	41	-1.0	-36.67	345.01	5.45	-31.22
CCC(CC)(NC(=O)C(=O)C1=CC=C(Br)C=C1OC)C1=NN=N[N-]1	REAL300019804325	1	41	-1.0	-36.68	345.07	5.46	-31.22
CCOC1=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=CS1	REAL300019804326	0	39	-1.0	-39.39	318.88	4.64	-34.75
CCOC1=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=CS1	REAL300019804326	1	39	-1.0	-39.35	318.95	4.66	-34.69
CCC(CC)(NC(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300019804327	0	44	-1.0	-42.26	354.25	4.79	-37.47
CCC(CC)(NC(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300019804327	1	44	-1.0	-42.24	354.19	4.77	-37.47
CCC(CC)(NC(=O)C1=C2NC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL300019804328	0	39	-1.0	-36.47	310.64	4.81	-31.66
CCC(CC)(NC(=O)C1=C2NC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL300019804328	1	39	-1.0	-36.45	310.57	4.81	-31.64
CCC1=NNC(CC)=C1CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019804329	0	47	-1.0	-37.46	360.44	4.18	-33.28
CCC1=NNC(CC)=C1CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019804329	1	47	-1.0	-37.43	360.38	4.17	-33.26
CCC(CC)(NC(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=NN=N[N-]1	REAL300019804330	0	45	-1.0	-43.85	354.52	3.25	-40.60
CCC(CC)(NC(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=N[N-]N=N1	REAL300019804330	1	45	-1.0	-43.81	354.45	3.23	-40.58
CCC(CC)(NC(=O)[C@@H](O)CC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019804331	0	48	-1.0	-36.53	376.89	6.06	-30.47
CCC(CC)(NC(=O)[C@@H](O)CC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019804331	1	48	-1.0	-36.52	376.96	6.06	-30.46
CCC(CC)(NC(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=N[N-]N=N1	REAL300019804332	0	42	-1.0	-55.29	351.21	1.86	-53.43
CCC(CC)(NC(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=NN=N[N-]1	REAL300019804332	1	42	-1.0	-55.26	351.28	1.87	-53.39
CCC(CC)(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300019804333	0	53	0.0	-52.61	377.31	6.56	-46.05
CCC(CC)(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300019804333	1	53	0.0	-49.47	366.41	6.61	-42.86
CCC(CC)(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300019804333	1	53	0.0	-52.60	377.25	6.55	-46.05
CCC(CC)(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300019804333	1	53	0.0	-49.42	366.34	6.59	-42.83
CCC(=CC1=CC=CC=C1)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019804334	0	45	-1.0	-35.57	340.56	6.83	-28.74
CCC(=CC1=CC=CC=C1)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019804334	1	45	-1.0	-35.57	340.62	6.84	-28.73
CC(CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCO1	REAL300019814202	0	40	-1.0	-44.98	325.96	4.34	-40.64
CC(CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCO1	REAL300019814202	1	40	-1.0	-44.96	326.02	4.33	-40.63
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019814203	0	43	0.0	-67.74	360.23	6.19	-61.55
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(NC2=NCCC2)C=C1	REAL300019814203	1	42	-1.0	-53.15	356.99	5.81	-47.34
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019814204	0	44	-1.0	-51.31	382.74	5.76	-45.55
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019814204	1	44	-1.0	-51.38	382.67	5.77	-45.61
NC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC(Br)=N1	REAL300019814205	0	31	-1.0	-43.85	304.03	2.50	-41.35
NC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC(Br)=N1	REAL300019814205	1	31	-1.0	-43.95	303.14	2.50	-41.45
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NOC2=C1COCC2	REAL300019814206	0	34	-1.0	-45.62	303.92	2.62	-43.00
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NOC2=C1COCC2	REAL300019814206	1	34	-1.0	-45.54	303.99	2.61	-42.93
CC1=CN2C=CC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=CC2=N1	REAL300019814207	0	36	-1.0	-55.00	319.85	6.18	-48.82
CC1=CN2C=CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=CC2=N1	REAL300019814207	1	36	-1.0	-54.98	319.92	6.17	-48.81
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(C2CC2)N=N1	REAL300019814208	0	33	-1.0	-45.02	302.30	2.85	-42.17
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(C2CC2)N=N1	REAL300019814208	1	33	-1.0	-45.06	302.24	2.86	-42.20
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814209	0	38	-1.0	-52.52	335.85	3.44	-49.08
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814209	1	38	-1.0	-54.60	336.75	3.44	-51.16
CNC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1F	REAL300019814210	0	35	-1.0	-50.00	311.61	3.92	-46.08
CNC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1F	REAL300019814210	1	35	-1.0	-49.96	311.67	3.91	-46.05
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCC2C(C1)C2(F)F	REAL300019814211	0	37	-1.0	-50.11	314.42	5.96	-44.15
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC2C(C1)C2(F)F	REAL300019814211	1	37	-1.0	-48.83	313.64	5.94	-42.89
CC(F)(F)C1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019814212	0	33	-1.0	-42.81	299.97	4.76	-38.05
CC(F)(F)C1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019814212	1	33	-1.0	-42.77	300.04	4.75	-38.02
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814213	0	41	-1.0	-56.46	352.59	1.63	-54.83
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814213	1	41	-1.0	-56.37	352.66	1.63	-54.74
COC1=CC=C(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1OC(F)F	REAL300019814214	0	41	-1.0	-54.37	365.30	5.17	-49.20
COC1=CC=C(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1OC(F)F	REAL300019814214	1	41	-1.0	-54.37	365.36	5.17	-49.20
CC1=CC=CC(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1Br	REAL300019814215	0	36	-1.0	-46.81	333.20	6.77	-40.04
CC1=CC=CC(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1Br	REAL300019814215	1	36	-1.0	-46.82	333.26	6.77	-40.05
O=C(COCC(F)F)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814216	0	30	-1.0	-56.92	284.37	3.24	-53.68
O=C(COCC(F)F)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814216	1	30	-1.0	-56.91	284.42	3.23	-53.68
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019814217	0	45	-1.0	-48.26	376.77	4.49	-43.77
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019814217	1	45	-1.0	-51.94	376.14	4.47	-47.47
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019814218	0	39	-1.0	-54.70	349.01	5.43	-49.27
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019814218	1	39	-1.0	-54.69	348.95	5.44	-49.25
COC1=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CO1	REAL300019814219	0	30	-1.0	-44.42	283.33	-1.39	-45.81
COC1=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CO1	REAL300019814219	1	30	-1.0	-44.41	283.27	-1.38	-45.79
CC1=CC(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=NC=C1Cl	REAL300019814220	0	35	-1.0	-52.87	326.02	5.17	-47.70
CC1=CC(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=NC=C1Cl	REAL300019814220	1	35	-1.0	-52.79	326.08	5.17	-47.62
NC1=C(Cl)C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1Cl	REAL300019814221	0	32	-1.0	-45.02	314.98	4.06	-40.96
NC1=C(Cl)C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1Cl	REAL300019814221	1	32	-1.0	-44.99	315.04	4.05	-40.94
CCC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCC(F)(F)CC1	REAL300019814222	0	42	-1.0	-46.65	337.34	6.19	-40.46
CCC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCC(F)(F)CC1	REAL300019814222	1	42	-1.0	-46.62	337.41	6.18	-40.44
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814223	0	33	-1.0	-44.24	318.34	3.67	-40.57
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814223	1	33	-1.0	-44.29	318.28	3.68	-40.61
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019814224	0	42	-1.0	-49.62	343.97	6.21	-43.41
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019814224	1	42	-1.0	-49.60	344.04	6.20	-43.40
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C(F)(F)F)CCOCC1	REAL300019814225	0	37	-1.0	-43.46	314.51	3.67	-39.79
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C(F)(F)F)CCOCC1	REAL300019814225	1	37	-1.0	-43.45	314.57	3.66	-39.79
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019814226	0	33	-1.0	-45.61	322.89	6.54	-39.07
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019814226	1	33	-1.0	-45.57	322.95	6.53	-39.04
CSCC[C@H](NC(N)=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814227	0	39	-1.0	-58.37	347.15	1.33	-57.04
CSCC[C@H](NC(N)=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814227	1	39	-1.0	-58.32	347.22	1.31	-57.01
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019814228	0	43	-1.0	-46.41	362.05	8.47	-37.94
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019814228	1	43	-1.0	-46.39	362.11	8.46	-37.93
CC1=CCC(C)(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019814229	0	40	-1.0	-47.38	325.37	6.14	-41.24
CC1=CCC(C)(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019814229	1	40	-1.0	-47.38	325.43	6.13	-41.25
CCN1C(=O)NC2=CC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=CC=C21	REAL300019814230	0	40	-1.0	-52.22	351.06	4.83	-47.39
CCN1C(=O)NC2=CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=CC=C21	REAL300019814230	1	40	-1.0	-52.20	351.95	4.81	-47.39
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019814231	0	41	-1.0	-51.01	356.09	5.49	-45.52
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019814231	1	41	-1.0	-51.02	356.15	5.48	-45.54
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814232	0	40	-1.0	-44.77	338.15	4.55	-40.22
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814232	1	40	-1.0	-44.70	338.21	4.53	-40.17
CC1(C)CCCC(O)(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814233	0	43	-1.0	-46.99	336.90	3.66	-43.33
CC1(C)CCCC(O)(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814233	1	43	-1.0	-46.96	336.93	3.66	-43.30
COC(=O)N1CCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019814234	0	41	-1.0	-51.55	345.59	3.90	-47.65
COC(=O)N1CCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019814234	1	41	-1.0	-51.53	345.65	3.90	-47.63
O=C(CCC1=CC=CN=C1Cl)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814235	0	35	-1.0	-47.64	325.93	5.02	-42.62
O=C(CCC1=CC=CN=C1Cl)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814235	1	35	-1.0	-47.71	325.86	5.02	-42.69
CN1C(=O)CO[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)[C@H]1C1=CC=CN=C1	REAL300019814236	0	44	-1.0	-47.40	369.11	4.05	-43.35
CN1C(=O)CO[C@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)[C@H]1C1=CC=CN=C1	REAL300019814236	1	44	-1.0	-47.50	369.05	4.06	-43.44
COC(C)(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(=O)OC(C)(C)C	REAL300019814237	0	45	-1.0	-50.11	369.81	5.67	-44.44
COC(C)(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(=O)OC(C)(C)C	REAL300019814237	1	45	-1.0	-50.11	369.86	5.66	-44.45
CC(C)(C)OC(=O)C1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1(C)C	REAL300019814238	0	48	-1.0	-44.23	382.56	7.51	-36.72
CC(C)(C)OC(=O)C1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1(C)C	REAL300019814238	1	48	-1.0	-44.18	382.62	7.50	-36.68
CC(C)(C)OC(=O)C(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCC1	REAL300019814239	0	51	-1.0	-52.78	400.42	8.85	-43.93
CC(C)(C)OC(=O)C(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC1	REAL300019814239	1	51	-1.0	-52.75	400.48	8.84	-43.91
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NC=CC=C1F	REAL300019814240	0	29	-1.0	-51.72	273.99	3.38	-48.34
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NC=CC=C1F	REAL300019814240	1	29	-1.0	-51.78	273.93	3.39	-48.39
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814241	0	37	-1.0	-53.38	351.74	2.01	-51.37
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814241	1	37	-1.0	-53.37	351.80	2.00	-51.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019814242	0	40	-1.0	-47.55	356.09	6.67	-40.88
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019814242	1	40	-1.0	-47.14	357.35	6.70	-40.44
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Br)=CNC1=O	REAL300019814243	0	30	-1.0	-52.63	294.45	2.84	-49.79
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Br)=CNC1=O	REAL300019814243	1	30	-1.0	-52.61	294.52	2.83	-49.78
COCC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCCCC1	REAL300019814244	0	43	-1.0	-46.31	338.90	5.28	-41.03
COCC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCCCC1	REAL300019814244	1	43	-1.0	-46.31	338.95	5.27	-41.04
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C2CCCCCN12	REAL300019814245	0	40	-1.0	-49.20	324.88	5.54	-43.66
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C2CCCCCN12	REAL300019814245	1	40	-1.0	-49.13	324.95	5.53	-43.60
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300019814246	0	39	-1.0	-47.70	348.86	7.66	-40.04
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300019814246	1	39	-1.0	-47.70	348.93	7.66	-40.04
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814247	0	36	-1.0	-56.03	336.42	1.33	-54.70
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814247	1	36	-1.0	-56.01	336.48	1.32	-54.69
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=CSC=C2S1	REAL300019814248	0	30	-1.0	-46.65	301.48	5.39	-41.26
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=CSC=C2S1	REAL300019814248	1	30	-1.0	-46.65	301.55	5.38	-41.27
CC1=CC=CC=C1CC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814249	0	42	-1.0	-45.48	349.47	7.45	-38.03
CC1=CC=CC=C1CC(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814249	1	42	-1.0	-45.45	349.54	7.45	-38.00
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)OC(C(F)F)=C1	REAL300019814250	0	33	-1.0	-43.58	308.49	4.81	-38.77
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)OC(C(F)F)=C1	REAL300019814250	1	33	-1.0	-43.59	308.56	4.81	-38.78
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1C2CC3=C(Cl)C=CC=C3C21	REAL300019814251	0	38	-1.0	-50.93	338.79	7.96	-42.97
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1C2CC3=C(Cl)C=CC=C3C21	REAL300019814251	1	38	-1.0	-50.90	338.86	7.95	-42.95
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300019814252	0	37	-1.0	-52.87	354.13	7.91	-44.96
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300019814252	1	37	-1.0	-52.85	354.18	7.90	-44.95
CC1=CC=C2OC=C(CC(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C2=C1	REAL300019814253	0	39	-1.0	-51.77	346.10	6.73	-45.04
CC1=CC=C2OC=C(CC(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C2=C1	REAL300019814253	1	39	-1.0	-51.75	346.17	6.72	-45.03
COC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(F)C=C1	REAL300019814254	0	37	-1.0	-50.16	334.68	5.80	-44.36
COC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(F)C=C1	REAL300019814254	1	37	-1.0	-48.43	335.58	5.80	-42.63
CCCC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(Cl)=C1	REAL300019814255	0	42	-1.0	-45.18	366.75	8.47	-36.71
CCCC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(Cl)=C1	REAL300019814255	1	42	-1.0	-45.19	366.84	8.48	-36.71
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C(C)N1C1=NN(C)C=C1	REAL300019814256	0	44	-1.0	-54.77	380.01	7.34	-47.43
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C(C)N1C1=NN(C)C=C1	REAL300019814256	1	44	-1.0	-54.78	379.96	7.34	-47.44
CC(C)C1=NC=CN1CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814257	0	39	-1.0	-53.82	338.55	5.58	-48.24
CC(C)C1=NC=CN1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814257	1	39	-1.0	-53.76	338.61	5.57	-48.19
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814257	1	40	0.0	-56.74	341.78	6.20	-50.54
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CN(C2CCOC2)C1	REAL300019814258	0	40	-1.0	-45.37	334.13	0.85	-44.52
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CN(C2CCOC2)C1	REAL300019814258	1	40	-1.0	-45.38	334.19	0.85	-44.53
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1C[NH+](C2CCOC2)C1	REAL300019814258	1	41	0.0	-67.35	337.84	3.62	-63.73
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814259	0	40	-1.0	-51.43	352.75	8.07	-43.36
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814259	1	40	-1.0	-51.39	352.81	8.06	-43.33
COC1=CC=C([C@]2(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C[C@H](O)C2)C=C1	REAL300019814260	0	45	-1.0	-47.88	379.54	3.23	-44.65
COC1=CC=C([C@]2(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C[C@H](O)C2)C=C1	REAL300019814260	1	45	-1.0	-46.39	378.77	3.22	-43.17
O=C(CN1CSCCSC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814261	0	37	-1.0	-48.03	329.31	3.37	-44.66
O=C(CN1CSCCSC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814261	1	37	-1.0	-48.00	329.38	3.36	-44.64
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CCC[NH+](CCC1)C2	REAL300019814262	0	43	0.0	-63.50	329.09	5.59	-57.91
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CCC[NH+](CCC1)C2	REAL300019814262	1	43	0.0	-63.56	329.02	5.60	-57.96
O=C(CCC(=O)C1=C(F)C=CC=C1F)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814263	0	38	-1.0	-49.13	345.67	6.37	-42.76
O=C(CCC(=O)C1=C(F)C=CC=C1F)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814263	1	38	-1.0	-49.10	345.73	6.35	-42.75
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C2COCCN12	REAL300019814264	0	35	-1.0	-48.65	303.01	2.80	-45.85
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C2COCCN12	REAL300019814264	1	35	-1.0	-48.62	303.07	2.79	-45.83
N#CC1(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCOCC1	REAL300019814265	0	38	-1.0	-57.59	321.04	3.33	-54.26
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CSC1=CC(C)=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814313	0	34	-1.0	-44.09	316.63	4.89	-39.20
CSC1=CC(C)=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814313	1	34	-1.0	-44.05	316.70	4.88	-39.17
O=C(C=CC1=CC=CS1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814314	0	31	-1.0	-46.10	296.08	5.30	-40.80
O=C(C=CC1=CC=CS1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814314	1	31	-1.0	-46.01	296.14	5.29	-40.72
COC(=O)C1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC2(CCC2)C1	REAL300019814315	0	43	-1.0	-45.91	357.78	6.53	-39.38
COC(=O)C1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC2(CCC2)C1	REAL300019814315	1	43	-1.0	-45.85	357.85	6.52	-39.33
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300019814316	0	39	-1.0	-46.07	331.78	6.00	-40.07
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300019814316	1	39	-1.0	-45.95	331.84	6.00	-39.95
CC(C)C1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814317	0	39	-1.0	-48.09	332.34	6.92	-41.17
CC(C)C1=CC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814317	1	39	-1.0	-48.12	332.40	6.92	-41.20
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC(C(F)(F)F)=C1	REAL300019814318	0	30	-1.0	-47.62	303.20	5.11	-42.51
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC(C(F)(F)F)=C1	REAL300019814318	1	30	-1.0	-47.64	303.27	5.12	-42.52
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019814319	0	43	-1.0	-47.21	357.78	8.07	-39.14
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019814319	1	43	-1.0	-47.19	357.84	8.06	-39.13
COCCCN1C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019814320	0	40	-1.0	-48.66	353.13	3.45	-45.21
COCCCN1C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019814320	1	40	-1.0	-48.71	353.07	3.46	-45.25
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(C2CC2)N=C1	REAL300019814321	0	34	-1.0	-47.21	306.09	4.28	-42.93
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(C2CC2)N=C1	REAL300019814321	1	34	-1.0	-47.25	306.03	4.29	-42.96
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=NN1C1CCOCC1	REAL300019814322	0	44	-1.0	-50.24	370.88	4.31	-45.93
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=NN1C1CCOCC1	REAL300019814322	1	44	-1.0	-50.22	370.94	4.30	-45.92
CN1C=C(N2CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)CC2=O)C=N1	REAL300019814323	0	41	-1.0	-51.22	356.94	3.76	-47.46
CN1C=C(N2CC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)CC2=O)C=N1	REAL300019814323	1	41	-1.0	-50.33	357.68	3.78	-46.55
CC(CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NC=C1	REAL300019814324	0	38	-1.0	-46.71	326.94	5.20	-41.51
CC(CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NC=C1	REAL300019814324	1	38	-1.0	-46.66	327.00	5.19	-41.47
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2C=CSC2=CN=C1	REAL300019814325	0	32	-1.0	-46.74	299.29	4.54	-42.20
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2C=CSC2=CN=C1	REAL300019814325	1	32	-1.0	-46.74	299.23	4.55	-42.19
O=C(CC1=CSC=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814326	0	29	-1.0	-52.10	279.47	2.86	-49.24
O=C(CC1=CSC=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814326	1	29	-1.0	-52.08	279.54	2.85	-49.23
CCOC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCOCC1	REAL300019814327	0	41	-1.0	-43.10	331.22	2.49	-40.61
CCOC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCOCC1	REAL300019814327	1	41	-1.0	-43.11	331.29	2.48	-40.63
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814328	0	37	-1.0	-52.61	354.78	7.05	-45.56
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814328	1	37	-1.0	-52.58	354.84	7.04	-45.54
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019814329	0	39	-1.0	-62.10	349.02	5.42	-56.68
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019814329	1	39	-1.0	-62.13	348.96	5.43	-56.70
CC1=CC=CC=C1COCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814330	0	40	-1.0	-53.28	347.43	6.67	-46.61
CC1=CC=CC=C1COCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814330	1	40	-1.0	-53.26	347.49	6.66	-46.60
CC1=CC=CC(COCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814331	0	40	-1.0	-52.15	352.67	6.66	-45.49
CC1=CC=CC(COCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814331	1	40	-1.0	-52.10	352.73	6.64	-45.46
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2SC=CC2=CC=N1	REAL300019814332	0	32	-1.0	-49.79	303.16	4.65	-45.14
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2SC=CC2=CC=N1	REAL300019814332	1	32	-1.0	-49.82	303.10	4.66	-45.16
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019814333	0	39	-1.0	-61.91	326.98	3.88	-58.03
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019814333	1	39	-1.0	-61.95	327.05	3.87	-58.08
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019814334	0	36	-2.0	-91.38	340.25	1.12	-90.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019814334	1	36	-2.0	-91.47	340.19	1.13	-90.34
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019814334	1	37	-1.0	-53.16	340.32	1.26	-51.90
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019814334	1	37	-1.0	-53.16	340.26	1.27	-51.89
O=C(CN1C=CC(C(F)F)=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814335	0	33	-1.0	-61.25	310.77	3.96	-57.29
O=C(CN1C=CC(C(F)F)=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814335	1	33	-1.0	-61.21	310.83	3.95	-57.26
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC2=CC(=O)NC=C21	REAL300019814336	0	36	-1.0	-50.02	317.62	4.21	-45.81
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC2=CC(=O)NC=C21	REAL300019814336	1	36	-1.0	-49.95	317.69	4.20	-45.75
CC1=CN2C=CN=C2C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814337	0	36	-1.0	-51.93	318.06	6.77	-45.16
CC1=CN2C=CN=C2C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814337	1	36	-1.0	-51.94	318.00	6.78	-45.16
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(SC(F)(F)F)N=C1	REAL300019814338	0	33	-1.0	-44.21	326.26	5.25	-38.96
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(SC(F)(F)F)N=C1	REAL300019814338	1	33	-1.0	-44.29	326.19	5.26	-39.03
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NC(N2CCOCC2)=N1	REAL300019814339	0	41	-1.0	-44.71	352.13	3.45	-41.26
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NC(N2CCOCC2)=N1	REAL300019814339	1	41	-1.0	-44.59	352.90	3.47	-41.12
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814340	0	47	-1.0	-53.83	388.91	3.73	-50.10
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814340	1	47	-1.0	-53.83	388.98	3.71	-50.12
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCC2(CC2)C1	REAL300019814341	0	40	-1.0	-45.89	329.16	6.54	-39.35
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC2(CC2)C1	REAL300019814341	1	40	-1.0	-45.86	329.22	6.53	-39.33
CCCN1N=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814342	0	36	-1.0	-45.00	315.65	4.36	-40.64
CCCN1N=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814342	1	36	-1.0	-44.99	315.58	4.37	-40.62
CC1=CC=C(COCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019814343	0	40	-1.0	-52.08	352.67	6.66	-45.42
CC1=CC=C(COCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019814343	1	40	-1.0	-52.05	352.73	6.65	-45.40
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(C(F)F)=CC=C1F	REAL300019814344	0	33	-1.0	-51.20	308.02	5.96	-45.24
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(C(F)F)=CC=C1F	REAL300019814344	1	33	-1.0	-51.16	308.08	5.95	-45.21
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019814345	0	44	-1.0	-49.74	370.21	5.87	-43.87
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019814345	1	44	-1.0	-49.75	370.27	5.86	-43.89
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019814346	0	37	-1.0	-51.09	339.66	6.11	-44.98
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019814346	1	37	-1.0	-51.16	339.60	6.11	-45.05
CC1=CN=CN1CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814347	0	33	-1.0	-53.67	298.70	5.26	-48.41
CC1=CN=CN1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814347	1	33	-1.0	-53.69	298.76	5.25	-48.44
CC1=C[NH+]=CN1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814347	1	34	0.0	-60.48	301.13	5.72	-54.76
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)C2=CC=CN=C2S1	REAL300019814348	0	32	-1.0	-47.69	318.05	5.03	-42.66
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)C2=CC=CN=C2S1	REAL300019814348	1	32	-1.0	-47.71	317.99	5.03	-42.68
COC1=CC(CCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC(OC)=C1O	REAL300019814349	0	45	-1.0	-49.19	387.67	3.50	-45.69
COC1=CC(CCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC(OC)=C1O	REAL300019814349	1	45	-1.0	-49.16	387.73	3.50	-45.66
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814350	0	40	-1.0	-48.88	354.07	4.95	-43.93
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814350	1	40	-1.0	-48.85	354.14	4.94	-43.91
COC1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1C	REAL300019814351	0	37	-1.0	-49.09	315.95	5.08	-44.01
COC1=CC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1C	REAL300019814351	1	37	-1.0	-48.97	314.93	5.06	-43.91
CCC1=CNC(=O)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814352	0	36	-1.0	-55.65	316.01	3.64	-52.01
CCC1=CNC(=O)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814352	1	36	-1.0	-55.61	316.07	3.63	-51.98
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(O)CC1=CC=CC=C1	REAL300019814353	0	37	-1.0	-46.30	327.44	4.30	-42.00
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(O)CC1=CC=CC=C1	REAL300019814353	1	37	-1.0	-46.29	327.50	4.28	-42.01
CN1N=CC(Cl)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814354	0	30	-1.0	-47.01	284.81	3.43	-43.58
CN1N=CC(Cl)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814354	1	30	-1.0	-47.01	284.73	3.44	-43.57
CC1=CC(F)=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1	REAL300019814355	0	33	-1.0	-50.39	309.00	5.65	-44.74
CC1=CC(F)=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(F)=C1	REAL300019814355	1	33	-1.0	-50.36	309.06	5.64	-44.72
CC1=CC(C)=CC(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814356	0	39	-1.0	-48.08	339.60	7.01	-41.07
CC1=CC(C)=CC(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814356	1	39	-1.0	-48.09	339.66	7.01	-41.08
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019814357	0	40	-1.0	-45.33	363.99	5.47	-39.86
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019814357	1	40	-1.0	-45.43	364.79	5.46	-39.97
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(N2CCCC2)=C1	REAL300019814358	0	42	-1.0	-49.97	348.82	5.52	-44.45
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(N2CCCC2)=C1	REAL300019814358	1	42	-1.0	-49.92	348.88	5.51	-44.41
CCOC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCC1	REAL300019814359	0	37	-1.0	-43.34	312.16	3.73	-39.61
CCOC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCC1	REAL300019814359	1	37	-1.0	-43.32	312.23	3.72	-39.60
COC1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1OC(C)C	REAL300019814360	0	44	-1.0	-52.65	365.18	6.85	-45.80
COC1=CC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1OC(C)C	REAL300019814360	1	44	-1.0	-52.56	365.26	6.84	-45.72
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019814361	0	40	-1.0	-48.87	364.94	5.36	-43.51
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019814361	1	40	-1.0	-48.53	365.63	5.35	-43.18
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019814362	0	41	-1.0	-52.13	356.04	5.48	-46.65
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019814362	1	41	-1.0	-52.08	356.10	5.47	-46.61
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019814363	0	41	-1.0	-49.07	356.96	5.50	-43.57
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019814363	1	41	-1.0	-49.46	357.79	5.53	-43.93
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2CC(=O)NC2=NC=C1	REAL300019814364	0	34	-1.0	-49.34	307.83	2.68	-46.66
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2CC(=O)NC2=NC=C1	REAL300019814364	1	34	-1.0	-49.34	307.90	2.67	-46.67
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019814365	0	36	-1.0	-54.86	339.32	6.60	-48.26
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019814365	1	36	-1.0	-54.91	339.26	6.61	-48.30
COC(=O)C=CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814366	0	37	-1.0	-45.98	346.06	5.21	-40.77
COC(=O)C=CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814366	1	37	-1.0	-45.96	346.12	5.20	-40.76
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019814367	0	46	-1.0	-46.78	381.93	8.52	-38.26
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019814367	1	46	-1.0	-46.77	382.00	8.51	-38.26
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(F)C=CC(F)=C1Cl	REAL300019814368	0	30	-1.0	-49.13	302.95	5.40	-43.73
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(F)C=CC(F)=C1Cl	REAL300019814368	1	30	-1.0	-49.09	303.01	5.39	-43.70
CCN1N=CC(Cl)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814369	0	33	-1.0	-45.22	317.14	4.04	-41.18
CCN1N=CC(Cl)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814369	1	33	-1.0	-45.22	317.08	4.05	-41.17
COC(=O)C1=C(C)C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814370	0	36	-1.0	-43.09	330.35	4.41	-38.68
COC(=O)C1=C(C)C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814370	1	36	-1.0	-43.04	330.41	4.41	-38.63
COC(=O)C1=CN(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N=C1	REAL300019814371	0	36	-1.0	-56.92	333.01	3.81	-53.11
COC(=O)C1=CN(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N=C1	REAL300019814371	1	36	-1.0	-56.97	332.95	3.81	-53.16
C[C@@H](CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)NC(=O)OC(C)(C)C	REAL300019814372	0	46	-1.0	-55.79	381.82	3.75	-52.04
C[C@@H](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)NC(=O)OC(C)(C)C	REAL300019814372	1	46	-1.0	-55.73	381.88	3.74	-51.99
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814373	0	48	-1.0	-49.14	398.08	4.42	-44.72
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814373	1	48	-1.0	-49.12	398.15	4.41	-44.71
CN1C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(C2=CC=CO2)=N1	REAL300019814374	0	37	-1.0	-56.53	335.04	5.43	-51.10
CN1C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(C2=CC=CO2)=N1	REAL300019814374	1	37	-1.0	-56.58	334.98	5.43	-51.15
NC(=O)C1=CC=C(C=CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814375	0	35	-1.0	-48.07	328.39	1.30	-46.77
NC(=O)C1=CC=C(C=CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814375	1	35	-1.0	-47.99	328.46	1.29	-46.70
COC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCC1	REAL300019814376	0	37	-1.0	-49.56	309.36	4.61	-44.95
COC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC1	REAL300019814376	1	37	-1.0	-49.53	309.42	4.60	-44.93
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)OC(S(N)(=O)=O)=C1	REAL300019814377	0	35	-1.0	-48.28	330.04	-1.30	-49.58
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)OC(S(N)(=O)=O)=C1	REAL300019814377	1	35	-1.0	-48.28	330.11	-1.31	-49.59
CSC1=CC=C(O)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814378	0	35	-1.0	-47.64	320.31	4.45	-43.19
CSC1=CC=C(O)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814378	1	35	-1.0	-47.64	320.37	4.44	-43.20
CCCCC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(C)C	REAL300019814379	0	44	-1.0	-46.45	347.81	6.94	-39.51
CCCCC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(C)C	REAL300019814379	1	44	-1.0	-46.41	347.87	6.93	-39.48
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814380	0	48	-1.0	-56.94	390.53	6.68	-50.26
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814380	1	48	-1.0	-56.91	390.60	6.67	-50.24
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814381	0	40	-1.0	-57.47	356.98	6.24	-51.23
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814381	1	40	-1.0	-57.50	356.91	6.25	-51.25
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C2=CC=CC=C2)CCCCCC1	REAL300019814382	0	49	-1.0	-48.86	375.03	8.78	-40.08
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C2=CC=CC=C2)CCCCCC1	REAL300019814382	1	49	-1.0	-48.82	375.11	8.77	-40.05
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(=O)NC1=C(F)C=CC=C1F	REAL300019814383	0	34	-1.0	-45.52	319.83	3.44	-42.08
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(=O)NC1=C(F)C=CC=C1F	REAL300019814383	1	34	-1.0	-45.47	319.90	3.43	-42.04
CC1=CC(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C(C)N1C1=CC=CC=C1	REAL300019814384	0	47	-1.0	-51.91	404.27	9.71	-42.20
CC1=CC(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C(C)N1C1=CC=CC=C1	REAL300019814384	1	47	-1.0	-51.90	404.33	9.71	-42.19
CCN1C=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814385	0	33	-1.0	-48.97	299.65	5.13	-43.84
CCN1C=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814385	1	33	-1.0	-48.96	299.59	5.13	-43.83
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCC2(CC2)CC1	REAL300019814386	0	40	-1.0	-46.15	328.71	6.56	-39.59
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC2(CC2)CC1	REAL300019814386	1	40	-1.0	-45.66	329.56	6.55	-39.11
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCC2=CC(F)=CC=C21	REAL300019814387	0	37	-1.0	-46.07	320.12	7.04	-39.03
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC2=CC(F)=CC=C21	REAL300019814387	1	37	-1.0	-46.06	320.19	7.03	-39.03
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1C	REAL300019814388	0	43	-1.0	-47.41	363.13	8.25	-39.16
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1C	REAL300019814388	1	43	-1.0	-47.39	363.19	8.24	-39.15
CCOCCN1C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019814389	0	40	-1.0	-46.81	353.48	3.64	-43.17
CCOCCN1C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019814389	1	40	-1.0	-46.84	353.42	3.65	-43.19
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(C(F)(F)F)SC=C1	REAL300019814390	0	30	-1.0	-51.72	296.92	5.11	-46.61
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(C(F)(F)F)SC=C1	REAL300019814390	1	30	-1.0	-51.69	296.98	5.11	-46.58
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814391	0	44	-1.0	-45.33	364.68	4.69	-40.64
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814391	1	44	-1.0	-45.25	364.81	4.68	-40.57
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814392	0	49	-1.0	-46.22	397.70	1.88	-44.34
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814392	1	49	-1.0	-46.17	397.76	1.87	-44.30
CN1N=C(Cl)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1Cl	REAL300019814393	0	30	-1.0	-45.48	312.11	3.48	-42.00
CN1N=C(Cl)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1Cl	REAL300019814393	1	30	-1.0	-46.42	311.21	3.48	-42.94
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCC1CC1=CC=CC=C1	REAL300019814394	0	46	-1.0	-49.81	381.20	8.88	-40.93
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC1CC1=CC=CC=C1	REAL300019814394	1	46	-1.0	-49.79	381.26	8.87	-40.92
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NN1CCC1=CC=CC=C1	REAL300019814395	0	43	-1.0	-45.93	366.94	7.65	-38.28
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NN1CCC1=CC=CC=C1	REAL300019814395	1	43	-1.0	-46.01	366.83	7.66	-38.35
CN1C=C(Cl)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300019814396	0	30	-1.0	-50.41	292.12	3.32	-47.09
CN1C=C(Cl)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL300019814396	1	30	-1.0	-50.45	292.06	3.33	-47.12
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C2CCCC2)CCNC1=O	REAL300019814397	0	44	-1.0	-54.16	345.56	3.30	-50.86
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C2CCCC2)CCNC1=O	REAL300019814397	1	44	-1.0	-50.44	346.46	3.29	-47.15
CCOC1=CC=CC(C=CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814398	0	41	-1.0	-49.57	357.17	6.42	-43.15
CCOC1=CC=CC(C=CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814398	1	41	-1.0	-49.47	357.23	6.41	-43.06
COC1=CC=C(C=CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019814399	0	38	-1.0	-47.86	335.25	5.51	-42.35
COC1=CC=C(C=CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019814399	1	38	-1.0	-47.78	335.32	5.50	-42.28
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814400	0	33	-1.0	-48.52	318.56	6.25	-42.27
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814400	1	33	-1.0	-48.47	318.62	6.24	-42.23
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)SC=C1	REAL300019814401	0	27	-1.0	-48.64	276.35	4.53	-44.11
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)SC=C1	REAL300019814401	1	27	-1.0	-48.54	277.24	4.53	-44.01
CC1(C)CC1(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC=C1	REAL300019814402	0	43	-1.0	-45.08	357.63	8.01	-37.07
CC1(C)CC1(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1	REAL300019814402	1	43	-1.0	-45.09	357.70	8.00	-37.09
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814403	0	37	-1.0	-48.01	349.25	5.90	-42.11
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814403	1	37	-1.0	-47.97	349.31	5.89	-42.08
CC(=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CS1	REAL300019814404	0	34	-1.0	-43.97	314.40	6.06	-37.91
CC(=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CS1	REAL300019814404	1	34	-1.0	-43.93	314.46	6.05	-37.88
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC=C1C(F)(F)F	REAL300019814405	0	30	-1.0	-53.33	295.83	5.00	-48.33
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC=C1C(F)(F)F	REAL300019814405	1	30	-1.0	-53.07	296.73	5.01	-48.06
CCCC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Cl)C=C1	REAL300019814406	0	42	-1.0	-46.27	369.49	8.18	-38.09
CCCC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Cl)C=C1	REAL300019814406	1	42	-1.0	-46.23	369.54	8.17	-38.06
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814407	0	47	-1.0	-49.60	393.72	4.77	-44.83
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814407	1	47	-1.0	-49.62	393.78	4.77	-44.85
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814408	0	40	-1.0	-50.12	360.23	4.40	-45.72
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814408	1	40	-1.0	-50.18	360.17	4.42	-45.76
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019814409	0	36	-1.0	-59.09	328.17	1.28	-57.81
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019814409	1	36	-1.0	-59.05	328.27	1.27	-57.78
CN1C=C(CCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N=N1	REAL300019814410	0	35	-1.0	-51.06	314.15	2.97	-48.09
CN1C=C(CCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N=N1	REAL300019814410	1	35	-1.0	-51.04	314.22	2.97	-48.07
CCOCCOCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814411	0	43	-1.0	-52.14	369.28	3.74	-48.40
CCOCCOCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814411	1	43	-1.0	-52.06	369.34	3.73	-48.33
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814412	0	38	-1.0	-51.46	349.94	4.05	-47.41
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814412	1	38	-1.0	-51.44	350.00	4.05	-47.39
COC1=CC=CC(C(OC)C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814413	0	41	-1.0	-49.20	357.79	5.02	-44.18
COC1=CC=CC(C(OC)C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814413	1	41	-1.0	-48.29	358.69	5.02	-43.27
COCCOCCOCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814414	0	47	-1.0	-53.43	402.91	3.10	-50.33
COCCOCCOCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814414	1	47	-1.0	-53.35	402.97	3.09	-50.26
COC1=CC2=CC=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C=C2C=C1OC	REAL300019814415	0	44	-1.0	-50.72	376.58	6.51	-44.21
COC1=CC2=CC=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C=C2C=C1OC	REAL300019814415	1	44	-1.0	-50.70	376.64	6.49	-44.21
CSC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C(C)O1	REAL300019814416	0	34	-1.0	-44.07	318.25	5.00	-39.07
CSC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C(C)O1	REAL300019814416	1	34	-1.0	-44.04	318.32	4.99	-39.05
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814417	0	42	-1.0	-66.33	345.66	3.78	-62.55
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814417	1	42	-1.0	-66.31	345.59	3.79	-62.52
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Cl)=NO1	REAL300019814418	0	26	-1.0	-40.11	267.18	2.85	-37.26
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Cl)=NO1	REAL300019814418	1	26	-1.0	-40.12	267.12	2.86	-37.26
CN1C(=O)NCC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814419	0	33	-1.0	-56.04	294.14	0.50	-55.54
CN1C(=O)NCC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814419	1	33	-1.0	-55.98	294.21	0.49	-55.49
CCC(C)(C)C(=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814420	0	37	-1.0	-39.78	307.45	4.25	-35.53
CCC(C)(C)C(=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814420	1	37	-1.0	-39.73	307.51	4.24	-35.49
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL300019814421	0	43	-2.0	-118.61	374.72	6.01	-112.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300019814421	1	43	-2.0	-118.58	374.78	6.00	-112.58
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814422	0	37	-1.0	-65.47	333.33	1.15	-64.32
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814422	1	37	-1.0	-65.45	333.38	1.14	-64.31
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C(N2C=CC=C2)S1	REAL300019814423	0	38	-1.0	-50.19	345.48	7.92	-42.27
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C(N2C=CC=C2)S1	REAL300019814423	1	38	-1.0	-50.14	345.56	7.91	-42.23
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019814424	0	36	-2.0	-109.13	329.14	4.76	-104.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019814424	1	36	-2.0	-109.18	329.08	4.77	-104.41
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019814424	1	36	-2.0	-108.97	329.24	4.79	-104.18
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019814424	1	36	-2.0	-108.99	329.18	4.80	-104.19
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019814425	0	33	-2.0	-80.80	314.55	1.66	-79.14
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019814425	1	33	-2.0	-80.77	314.60	1.65	-79.12
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019814425	1	33	-2.0	-80.86	314.48	1.65	-79.21
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019814425	1	33	-2.0	-80.82	314.54	1.64	-79.18
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814426	0	42	-1.0	-59.90	382.23	4.63	-55.27
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814426	1	42	-1.0	-59.98	382.17	4.63	-55.35
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NNC=C1C(F)(F)F	REAL300019814427	0	30	-1.0	-52.09	291.30	2.52	-49.57
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NNC=C1C(F)(F)F	REAL300019814427	1	30	-1.0	-52.10	291.36	2.51	-49.59
O=C(CC1=CC(C2CC2)=NO1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814428	0	36	-1.0	-53.74	323.88	5.38	-48.36
O=C(CC1=CC(C2CC2)=NO1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814428	1	36	-1.0	-53.74	323.94	5.36	-48.38
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814429	0	36	-2.0	-98.15	330.81	0.21	-97.94
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814429	1	36	-2.0	-98.13	330.87	0.20	-97.93
CN1C=CC(NC2=CC=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C=C2)=N1	REAL300019814430	0	42	-1.0	-52.13	365.26	6.56	-45.57
CN1C=CC(NC2=CC=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C=C2)=N1	REAL300019814430	1	42	-1.0	-52.15	365.20	6.57	-45.58
CC1=NOC(C2(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)CC2)=C1	REAL300019814431	0	36	-1.0	-43.78	323.75	5.23	-38.55
CC1=NOC(C2(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)CC2)=C1	REAL300019814431	1	36	-1.0	-43.73	323.81	5.22	-38.51
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814432	0	44	-1.0	-50.13	359.66	4.16	-45.97
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814432	1	44	-1.0	-49.23	361.68	4.15	-45.08
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC2CCC[N@@H+]21	REAL300019814433	0	43	0.0	-58.88	327.51	5.94	-52.94
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC2CCC[N@H+]21	REAL300019814433	1	43	0.0	-53.74	337.22	6.26	-47.48
CC1CN(C)CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814434	0	39	-1.0	-49.05	326.93	2.11	-46.94
CC1CN(C)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814434	1	39	-1.0	-48.95	326.99	2.10	-46.85
CC1C[N@H+](C)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814434	1	40	0.0	-78.11	324.02	4.07	-74.04
CC1C[N@@H+](C)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814434	1	40	0.0	-76.07	324.55	4.48	-71.59
CN1C=NC2=CN=CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=C21	REAL300019814435	0	35	-1.0	-44.60	306.07	4.52	-40.08
CN1C=NC2=CN=CC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=C21	REAL300019814435	1	35	-1.0	-44.66	306.01	4.52	-40.14
C[N@@H+]1CCCC1CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814436	0	42	0.0	-66.89	338.91	5.93	-60.96
C[N@H+]1CCCC1CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814436	1	42	0.0	-62.51	332.64	5.43	-57.08
C[N@@H+]1CCCC1CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814436	1	42	0.0	-66.87	338.98	5.92	-60.95
C[N@H+]1CCCC1CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814436	1	42	0.0	-62.54	332.70	5.42	-57.12
O=C(C=CCN1C=NC=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814437	0	33	-1.0	-54.15	306.28	5.74	-48.41
O=C(C=CCN1C=NC=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814437	1	33	-1.0	-54.21	306.22	5.75	-48.46
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCN1C1=NC=CC=N1	REAL300019814438	0	40	-1.0	-47.67	336.52	3.58	-44.09
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCN1C1=NC=CC=N1	REAL300019814438	1	40	-1.0	-47.75	336.45	3.58	-44.17
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019814439	0	34	-1.0	-55.88	305.97	4.64	-51.24
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019814439	1	34	-1.0	-55.85	306.03	4.63	-51.22
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019814440	0	39	-1.0	-49.58	343.07	6.14	-43.44
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019814440	1	39	-1.0	-49.62	343.14	6.14	-43.48
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814441	0	38	-1.0	-48.83	341.69	1.07	-47.76
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814441	1	38	-1.0	-48.81	341.75	1.06	-47.75
CC(C)N1C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(C2CCOCC2)=N1	REAL300019814442	0	50	-1.0	-50.04	408.67	5.56	-44.48
CC(C)N1C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(C2CCOCC2)=N1	REAL300019814442	1	50	-1.0	-49.95	408.73	5.55	-44.40
CC(=O)NC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC=N1	REAL300019814443	0	36	-1.0	-51.38	324.15	3.59	-47.79
CC(=O)NC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC=N1	REAL300019814443	1	36	-1.0	-51.42	324.08	3.60	-47.82
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814444	0	50	-1.0	-46.27	397.81	7.60	-38.67
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814444	1	50	-1.0	-46.24	397.87	7.59	-38.65
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(CN2C=NC=N2)=C1	REAL300019814445	0	39	-1.0	-58.45	349.94	8.08	-50.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(CN2C=NC=N2)=C1	REAL300019814445	1	39	-1.0	-58.51	349.87	8.09	-50.42
CC1=CC=NN1CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814446	0	33	-1.0	-53.37	298.76	3.61	-49.76
CC1=CC=NN1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814446	1	33	-1.0	-53.34	298.82	3.59	-49.75
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NC=C2C(F)=CC=CN21	REAL300019814447	0	33	-1.0	-45.45	305.12	5.57	-39.88
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NC=C2C(F)=CC=CN21	REAL300019814447	1	33	-1.0	-45.47	305.06	5.58	-39.89
O=C(C=CC=C(Cl)Cl)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814448	0	28	-1.0	-46.91	292.64	4.95	-41.96
O=C(C=CC=C(Cl)Cl)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814448	1	28	-1.0	-46.89	292.71	4.94	-41.95
CC1=C(CO)C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814449	0	34	-1.0	-50.54	309.08	1.22	-49.32
CC1=C(CO)C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814449	1	34	-1.0	-50.51	309.14	1.21	-49.30
CN1CCCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1=O	REAL300019814450	0	40	-1.0	-42.58	317.14	4.32	-38.26
CN1CCCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1=O	REAL300019814450	1	40	-1.0	-42.53	317.20	4.31	-38.22
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300019814451	0	38	-1.0	-52.05	347.59	4.93	-47.12
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300019814451	1	38	-1.0	-52.02	347.66	4.92	-47.10
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=C(CCCC2O)NC1=O	REAL300019814452	0	41	-1.0	-53.51	344.10	1.48	-52.03
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=C(CCCC2O)NC1=O	REAL300019814452	1	41	-1.0	-53.45	344.16	1.47	-51.98
NC1=C2N=CN(CCC(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C2=NC=N1	REAL300019814453	0	39	-1.0	-50.55	350.34	5.05	-45.50
NC1=C2N=CN(CCC(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C2=NC=N1	REAL300019814453	1	39	-1.0	-50.61	350.28	5.05	-45.56
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=CC(O)=C(O)C=C2S1	REAL300019814454	0	35	-1.0	-46.92	332.15	1.50	-45.42
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=CC(O)=C(O)C=C2S1	REAL300019814454	1	35	-1.0	-46.89	332.21	1.49	-45.40
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CNN=C1I	REAL300019814455	0	27	-1.0	-50.87	278.24	2.34	-48.53
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CNN=C1I	REAL300019814455	1	27	-1.0	-50.87	278.17	2.35	-48.52
C[N@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)CC(C)(C)C	REAL300019814456	0	44	0.0	-61.80	339.42	5.81	-55.99
C[N@@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)CC(C)(C)C	REAL300019814456	1	44	0.0	-61.59	342.56	5.99	-55.60
CN(CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)CC(C)(C)C	REAL300019814456	1	43	-1.0	-47.16	346.06	4.53	-42.63
CN(CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)CC(C)(C)C	REAL300019814456	1	43	-1.0	-47.16	346.13	4.53	-42.63
CN1C=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC1=O	REAL300019814457	0	32	-1.0	-55.31	294.25	3.55	-51.76
CN1C=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC1=O	REAL300019814457	1	32	-1.0	-55.20	295.02	3.58	-51.62
O=C(CC=CCC1=CC=CC=C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814458	0	40	-1.0	-48.83	352.36	7.90	-40.93
O=C(CC=CCC1=CC=CC=C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814458	1	40	-1.0	-48.75	352.42	7.89	-40.86
CC1=CC=C(NC2=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)N=CS2)C=C1	REAL300019814459	0	41	-1.0	-47.16	367.14	5.53	-41.63
CC1=CC=C(NC2=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)N=CS2)C=C1	REAL300019814459	1	41	-1.0	-47.15	367.08	5.54	-41.61
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C2=CC=NC=C2)CCC1	REAL300019814460	0	39	-1.0	-47.01	328.83	5.61	-41.40
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C2=CC=NC=C2)CCC1	REAL300019814460	1	39	-1.0	-46.99	328.77	5.62	-41.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NC(C2=CN=CC=N2)=NO1	REAL300019814461	0	33	-1.0	-48.65	317.11	-0.18	-48.83
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NC(C2=CN=CC=N2)=NO1	REAL300019814461	1	33	-1.0	-48.79	316.34	-0.20	-48.99
CN1CCOC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1=O	REAL300019814462	0	35	-1.0	-52.03	304.19	2.22	-49.81
CN1CCOC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1=O	REAL300019814462	1	35	-1.0	-51.98	304.26	2.21	-49.77
C#CCN(CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(=O)OC(C)(C)C	REAL300019814463	0	45	-1.0	-52.72	389.76	6.29	-46.43
C#CCN(CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(=O)OC(C)(C)C	REAL300019814463	1	45	-1.0	-52.76	389.82	6.29	-46.47
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C2=CC=CC=N2)CC1	REAL300019814464	0	36	-1.0	-44.98	321.28	5.16	-39.82
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C2=CC=CC=N2)CC1	REAL300019814464	1	36	-1.0	-45.02	321.19	5.17	-39.85
O=C(CC1CCCS1(=O)=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814465	0	36	-1.0	-62.72	317.76	2.21	-60.51
O=C(CC1CCCS1(=O)=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814465	1	36	-1.0	-62.69	317.82	2.19	-60.50
CC1=CC=C(C(=O)C=CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019814466	0	39	-1.0	-45.06	349.74	6.78	-38.28
CC1=CC=C(C(=O)C=CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019814466	1	39	-1.0	-45.08	349.79	6.78	-38.30
CC1=CN(C(C)(C)C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019814467	0	39	-1.0	-52.95	333.31	5.80	-47.15
CC1=CN(C(C)(C)C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019814467	1	39	-1.0	-53.06	332.61	5.77	-47.29
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C2NC=NC2=C1F	REAL300019814468	0	33	-1.0	-62.64	301.50	4.73	-57.91
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C2NC=NC2=C1F	REAL300019814468	1	33	-1.0	-62.62	301.56	4.72	-57.90
NC1=NN=NN1C1=CC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814469	0	37	-1.0	-60.61	333.24	4.92	-55.69
NC1=NN=NN1C1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814469	1	37	-1.0	-60.28	332.35	4.92	-55.36
C=C(CC[NH+](C)C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814470	0	39	0.0	-73.00	326.32	5.29	-67.71
C=C(CC[NH+](C)C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814470	1	39	0.0	-72.93	326.37	5.29	-67.64
CC1=C(C)NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL300019814471	0	33	-1.0	-45.69	296.07	2.85	-42.84
CC1=C(C)NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300019814471	1	33	-1.0	-45.66	296.13	2.84	-42.82
CC1=NN=C(CCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814472	0	34	-1.0	-49.43	310.29	-0.57	-50.00
CC1=NN=C(CCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814472	1	34	-1.0	-49.40	310.35	-0.59	-49.99
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NN=C(C2CC2)O1	REAL300019814473	0	32	-1.0	-44.62	298.56	-0.26	-44.88
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NN=C(C2CC2)O1	REAL300019814473	1	32	-1.0	-44.62	298.62	-0.27	-44.89
CC1=CC=CC=C1NC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N=CS1	REAL300019814474	0	41	-1.0	-47.30	366.92	5.78	-41.52
CC1=CC=CC=C1NC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N=CS1	REAL300019814474	1	41	-1.0	-47.31	366.86	5.79	-41.52
CCN1C(Br)=NC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814475	0	33	-1.0	-43.56	314.86	4.80	-38.76
CCN1C(Br)=NC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814475	1	33	-1.0	-43.62	314.80	4.80	-38.82
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(C(F)(F)F)=CNC1=O	REAL300019814476	0	33	-1.0	-53.25	313.35	3.24	-50.01
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(C(F)(F)F)=CNC1=O	REAL300019814476	1	33	-1.0	-53.30	313.41	3.23	-50.07
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CN2N=NN=C12	REAL300019814477	0	31	-1.0	-50.69	287.34	3.46	-47.23
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CN2N=NN=C12	REAL300019814477	1	31	-1.0	-50.76	287.27	3.47	-47.29
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(F)=CNC1=O	REAL300019814478	0	30	-1.0	-53.45	279.57	2.30	-51.15
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(F)=CNC1=O	REAL300019814478	1	30	-1.0	-53.16	281.18	2.28	-50.88
C#CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019814479	0	32	-1.0	-47.49	298.53	6.21	-41.28
C#CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019814479	1	32	-1.0	-47.44	298.59	6.20	-41.24
CC(C)(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C#N)C=C1	REAL300019814480	0	40	-1.0	-48.51	348.37	6.99	-41.52
CC(C)(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C#N)C=C1	REAL300019814480	1	40	-1.0	-48.69	347.68	6.96	-41.73
N#CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCOC1	REAL300019814481	0	32	-1.0	-43.29	290.23	2.10	-41.19
N#CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCOC1	REAL300019814481	1	32	-1.0	-43.19	290.29	2.09	-41.10
CC(=CC1=CC=C(Br)O1)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814482	0	34	-1.0	-44.29	322.18	5.92	-38.37
CC(=CC1=CC=C(Br)O1)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814482	1	34	-1.0	-44.23	322.24	5.91	-38.32
O=CC1=CC=C(F)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814483	0	32	-1.0	-55.55	299.11	4.82	-50.73
O=CC1=CC=C(F)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814483	1	32	-1.0	-55.52	299.17	4.81	-50.71
O=CC1=CC=C(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019814484	0	35	-1.0	-51.03	319.24	5.42	-45.61
O=CC1=CC=C(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019814484	1	35	-1.0	-51.03	319.31	5.41	-45.62
O=CC1=CNC2=CC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=CC=C12	REAL300019814485	0	36	-1.0	-50.82	326.36	4.80	-46.02
O=CC1=CNC2=CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=CC=C12	REAL300019814485	1	36	-1.0	-50.80	326.42	4.79	-46.01
O=CC1=CC(Br)=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814486	0	32	-1.0	-52.49	315.86	5.35	-47.14
O=CC1=CC(Br)=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814486	1	32	-1.0	-52.32	316.75	5.35	-46.97
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019814487	0	37	-1.0	-46.31	330.21	-0.11	-46.42
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019814487	1	37	-1.0	-46.14	329.32	-0.11	-46.25
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019814488	0	41	-1.0	-51.21	347.17	4.77	-46.44
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019814488	1	41	-1.0	-51.18	347.30	4.76	-46.42
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(C(F)F)N=C2CCCCN21	REAL300019814489	0	40	-1.0	-49.64	353.32	5.86	-43.78
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(C(F)F)N=C2CCCCN21	REAL300019814489	1	40	-1.0	-49.60	353.38	5.85	-43.75
CC(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=CC=N1	REAL300019814490	0	34	-1.0	-50.30	302.14	2.40	-47.90
CC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=CC=N1	REAL300019814490	1	34	-1.0	-50.28	302.20	2.39	-47.89
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C2SC=CC2=C1	REAL300019814491	0	32	-1.0	-46.15	303.33	4.48	-41.67
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C2SC=CC2=C1	REAL300019814491	1	32	-1.0	-46.19	303.27	4.49	-41.70
O=C(CC(F)(F)C(F)(F)F)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814492	0	29	-1.0	-48.76	286.70	4.00	-44.76
O=C(CC(F)(F)C(F)(F)F)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814492	1	29	-1.0	-48.81	286.76	4.00	-44.81
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=C(Cl)N=CC=C2O1	REAL300019814493	0	32	-1.0	-45.15	314.25	4.07	-41.08
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=C(Cl)N=CC=C2O1	REAL300019814493	1	32	-1.0	-45.23	314.19	4.08	-41.15
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814494	0	44	-1.0	-57.88	387.01	4.09	-53.79
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814494	1	44	-1.0	-57.82	387.08	4.07	-53.75
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=COC(C(F)(F)F)=N1	REAL300019814495	0	29	-1.0	-41.44	291.94	0.74	-40.70
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=COC(C(F)(F)F)=N1	REAL300019814495	1	29	-1.0	-41.47	291.88	0.75	-40.72
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(F)C=NC=C1F	REAL300019814496	0	29	-1.0	-46.85	282.70	3.22	-43.63
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(F)C=NC=C1F	REAL300019814496	1	29	-1.0	-46.92	282.64	3.23	-43.69
COC1=CC=C(C=O)C=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814497	0	36	-1.0	-55.35	321.79	5.19	-50.16
COC1=CC=C(C=O)C=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814497	1	36	-1.0	-55.32	322.68	5.20	-50.12
O=CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC=C1F	REAL300019814498	0	32	-1.0	-47.94	299.11	4.82	-43.12
O=CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC=C1F	REAL300019814498	1	32	-1.0	-47.87	299.18	4.81	-43.06
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSN=C1Cl	REAL300019814499	0	26	-1.0	-49.23	270.57	3.07	-46.16
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSN=C1Cl	REAL300019814499	1	26	-1.0	-49.30	270.50	3.08	-46.22
CS(=O)(=O)N1CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814500	0	35	-1.0	-56.60	322.22	-0.01	-56.61
CS(=O)(=O)N1CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814500	1	35	-1.0	-57.94	323.12	-0.02	-57.96
O=C(CCOC1COC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814501	0	35	-1.0	-45.60	310.11	1.33	-44.27
O=C(CCOC1COC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814501	1	35	-1.0	-45.59	310.17	1.31	-44.28
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300019814502	0	43	-1.0	-46.44	379.87	6.54	-39.90
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300019814502	1	43	-1.0	-46.47	379.81	6.55	-39.92
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC=C1Cl	REAL300019814503	0	27	-1.0	-49.83	276.38	4.45	-45.38
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC=C1Cl	REAL300019814503	1	27	-1.0	-49.80	276.45	4.44	-45.36
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1C[C@H]1C1CCOCC1	REAL300019814504	0	41	-1.0	-49.10	341.03	4.97	-44.13
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1C[C@H]1C1CCOCC1	REAL300019814504	1	41	-1.0	-49.05	341.10	4.96	-44.09
CC1=NC(C2=CC=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)S2)=CS1	REAL300019814505	0	36	-1.0	-47.54	351.38	5.55	-41.99
CC1=NC(C2=CC=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)S2)=CS1	REAL300019814505	1	36	-1.0	-47.59	351.31	5.55	-42.04
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019814506	0	44	-1.0	-54.32	374.03	7.70	-46.62
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019814506	1	44	-1.0	-54.32	374.09	7.70	-46.62
CCC(CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(C)(C)C	REAL300019814507	0	44	-1.0	-46.09	335.00	5.99	-40.10
CCC(CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(C)(C)C	REAL300019814507	1	44	-1.0	-46.03	335.07	5.98	-40.05
CCC1=CC=C(F)C=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814508	0	36	-1.0	-43.58	313.02	6.48	-37.10
CCC1=CC=C(F)C=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814508	1	36	-1.0	-43.55	313.08	6.47	-37.08
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814509	0	42	-1.0	-57.46	362.27	1.63	-55.83
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814509	1	42	-1.0	-57.38	362.34	1.62	-55.76
COCC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=CS1	REAL300019814510	0	34	-1.0	-48.58	313.22	3.77	-44.81
COCC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=CS1	REAL300019814510	1	34	-1.0	-48.52	313.28	3.76	-44.76
CN1C=CC2=CC=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C=C21	REAL300019814511	0	37	-1.0	-49.88	325.83	6.75	-43.13
CN1C=CC2=CC=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C=C21	REAL300019814511	1	37	-1.0	-49.82	325.90	6.75	-43.07
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019814512	0	42	-1.0	-47.63	361.76	7.05	-40.58
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019814512	1	42	-1.0	-47.63	361.66	7.06	-40.57
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C2CCCCO2)CCC1	REAL300019814513	0	44	-1.0	-49.64	346.61	6.42	-43.22
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C2CCCCO2)CCC1	REAL300019814513	1	44	-1.0	-49.61	346.68	6.41	-43.20
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019814514	0	42	-1.0	-48.36	362.24	8.04	-40.32
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019814514	1	42	-1.0	-47.71	363.52	8.03	-39.68
CC(C)(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(C(F)(F)F)=N1	REAL300019814515	0	41	-1.0	-60.99	363.09	6.54	-54.45
CC(C)(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(C(F)(F)F)=N1	REAL300019814515	1	41	-1.0	-60.12	362.22	6.55	-53.57
COC1=CC=C(F)C(OC)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814516	0	38	-1.0	-50.56	343.14	3.72	-46.84
COC1=CC=C(F)C(OC)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814516	1	38	-1.0	-50.49	343.20	3.71	-46.78
COC1=CC=NC(OC)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814517	0	37	-1.0	-52.84	331.38	0.99	-51.85
COC1=CC=NC(OC)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814517	1	37	-1.0	-52.90	331.31	0.99	-51.91
COC(=O)C1=NN(C)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814518	0	36	-1.0	-49.53	326.75	3.45	-46.08
COC(=O)C1=NN(C)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814518	1	36	-1.0	-49.55	326.68	3.45	-46.10
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C[C@H]1C	REAL300019814519	0	40	-1.0	-55.50	349.20	5.09	-50.41
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C[C@H]1C	REAL300019814519	1	40	-1.0	-53.93	348.47	5.05	-48.88
O=C(C=CC1=CC=C(Cl)S1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814520	0	31	-1.0	-44.62	313.08	5.92	-38.70
O=C(C=CC1=CC=C(Cl)S1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814520	1	31	-1.0	-44.62	313.99	5.92	-38.70
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814521	0	38	-1.0	-51.09	350.69	6.06	-45.03
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814521	1	38	-1.0	-51.07	350.76	6.05	-45.02
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NN(C2CCOCC2)C=C1	REAL300019814522	0	41	-1.0	-48.14	349.42	3.62	-44.52
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NN(C2CCOCC2)C=C1	REAL300019814522	1	41	-1.0	-48.18	349.36	3.63	-44.55
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC(C3=N[N-]N=N3)=CC=C1F)OC2=O	REAL300019814523	0	43	-1.0	-43.62	348.94	5.56	-38.06
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC(C3=NN=N[N-]3)=CC=C1F)OC2=O	REAL300019814523	1	43	-1.0	-43.64	349.00	5.55	-38.09
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C(C2=CC=CC=C2)O1	REAL300019814524	0	40	-1.0	-45.81	352.37	7.55	-38.26
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C(C2=CC=CC=C2)O1	REAL300019814524	1	40	-1.0	-45.74	353.26	7.54	-38.20
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CNC(=O)C2=CC=CC=C21	REAL300019814525	0	38	-1.0	-60.06	331.75	3.36	-56.70
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CNC(=O)C2=CC=CC=C21	REAL300019814525	1	38	-1.0	-60.04	331.81	3.35	-56.69
O=C(CC1CCC(F)(F)CC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814526	0	39	-1.0	-46.34	327.74	6.10	-40.24
O=C(CC1CCC(F)(F)CC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814526	1	39	-1.0	-46.30	327.81	6.09	-40.21
CC1=CN(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N=C1C(F)(F)F	REAL300019814527	0	36	-1.0	-60.25	337.85	4.72	-55.53
CC1=CN(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N=C1C(F)(F)F	REAL300019814527	1	36	-1.0	-60.23	337.79	4.72	-55.51
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814528	0	40	-1.0	-47.94	345.29	7.71	-40.23
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814528	1	40	-1.0	-47.89	345.35	7.70	-40.19
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C(F)F)O1	REAL300019814529	0	30	-1.0	-44.69	290.15	4.11	-40.58
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C(F)F)O1	REAL300019814529	1	30	-1.0	-44.68	290.22	4.10	-40.58
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(C(F)F)N=CO1	REAL300019814530	0	29	-1.0	-47.63	278.05	0.61	-47.02
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(C(F)F)N=CO1	REAL300019814530	1	29	-1.0	-47.64	278.11	0.60	-47.04
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(C#CCO)=C1	REAL300019814531	0	36	-1.0	-55.22	332.63	3.83	-51.39
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(C#CCO)=C1	REAL300019814531	1	36	-1.0	-52.56	332.69	3.82	-48.74
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(=O)N=C[N-]1	REAL300019814532	0	28	-2.0	-90.04	271.38	0.73	-89.31
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(=O)N=C[N-]1	REAL300019814532	1	28	-2.0	-90.50	270.61	0.71	-89.79
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(=O)N=CN1	REAL300019814532	1	29	-1.0	-60.21	272.68	1.24	-58.97
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(=O)N=CN1	REAL300019814532	1	29	-1.0	-60.13	272.74	1.23	-58.90
O=C(CN1CCOC1=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814533	0	32	-1.0	-59.04	292.05	2.49	-56.55
O=C(CN1CCOC1=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814533	1	32	-1.0	-58.97	292.12	2.47	-56.50
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814534	0	44	-1.0	-48.60	371.13	-0.60	-49.20
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814534	1	44	-1.0	-48.58	371.19	-0.61	-49.19
O=C(CCCN1C=NC=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814535	0	35	-1.0	-57.98	315.48	5.89	-52.09
O=C(CCCN1C=NC=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814535	1	35	-1.0	-57.96	315.42	5.90	-52.06
CC1=C(C=O)C(C)=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)N1	REAL300019814536	0	36	-1.0	-55.81	317.28	3.79	-52.02
CC1=C(C=O)C(C)=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N1	REAL300019814536	1	36	-1.0	-55.72	317.34	3.78	-51.94
O=C(CN1CCNC(=O)C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814537	0	36	-1.0	-57.08	308.96	-0.91	-57.99
O=C(CN1CCNC(=O)C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814537	1	36	-1.0	-57.06	309.02	-0.92	-57.98
CCCC=CC(O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814538	0	37	-1.0	-45.88	324.15	3.40	-42.48
CCCC=CC(O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814538	1	37	-1.0	-45.79	324.21	3.39	-42.40
COC1=CC(CO)=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814539	0	38	-1.0	-53.54	332.28	2.78	-50.76
COC1=CC(CO)=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814539	1	38	-1.0	-53.52	332.35	2.77	-50.75
O=C(CC1CCN(CC(F)F)CC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814540	0	44	-1.0	-51.51	354.43	4.02	-47.49
O=C(CC1CCN(CC(F)F)CC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814540	1	44	-1.0	-51.51	353.52	4.02	-47.49
COC1=CC(OC)=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1C=O	REAL300019814541	0	40	-1.0	-54.38	349.77	5.83	-48.55
COC1=CC(OC)=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1C=O	REAL300019814541	1	40	-1.0	-54.35	349.84	5.82	-48.53
NC1=C2N=CN(CCCC(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C2=NC=N1	REAL300019814542	0	42	-1.0	-57.87	371.84	5.85	-52.02
NC1=C2N=CN(CCCC(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C2=NC=N1	REAL300019814542	1	42	-1.0	-57.85	371.78	5.86	-51.99
NC1=C2N=CN(CCCCC(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C2=NC=N1	REAL300019814543	0	45	-1.0	-53.05	393.34	6.63	-46.42
NC1=C2N=CN(CCCCC(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C2=NC=N1	REAL300019814543	1	45	-1.0	-53.04	393.27	6.63	-46.41
CC(C)(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)N1CCCCC1	REAL300019814544	0	44	-1.0	-44.58	340.98	4.47	-40.11
CC(C)(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)N1CCCCC1	REAL300019814544	1	44	-1.0	-44.58	341.04	4.46	-40.12
CC(C)(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+]1CCCCC1	REAL300019814544	1	45	0.0	-61.95	341.11	6.40	-55.55
O=C(CC(O)COCC1=CC=CC=C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814545	0	44	-1.0	-55.94	383.57	4.30	-51.64
O=C(CC(O)COCC1=CC=CC=C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814545	1	44	-1.0	-55.86	383.63	4.30	-51.56
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(Cl)=NN1	REAL300019814546	0	30	-1.0	-48.73	293.76	2.35	-46.38
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(Cl)=NN1	REAL300019814546	1	30	-1.0	-48.71	293.82	2.34	-46.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300019814547	0	41	-1.0	-52.13	361.04	5.92	-46.21
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300019814547	1	41	-1.0	-52.12	361.09	5.91	-46.21
CC1=NC=C(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019814548	0	32	-1.0	-52.88	293.37	1.29	-51.59
CC1=NC=C(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814548	1	32	-1.0	-52.88	293.43	1.29	-51.59
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814549	0	50	-1.0	-48.28	404.09	5.87	-42.41
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814549	1	50	-1.0	-48.27	404.16	5.85	-42.42
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL300019814550	0	36	-1.0	-48.49	339.17	6.35	-42.14
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL300019814550	1	36	-1.0	-48.53	339.11	6.36	-42.17
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019814551	0	40	-1.0	-63.80	351.86	3.33	-60.47
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019814551	1	40	-1.0	-63.74	351.93	3.33	-60.41
CC1CCC2=NC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=CN2C1	REAL300019814552	0	40	-1.0	-48.28	339.50	5.75	-42.53
CC1CCC2=NC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=CN2C1	REAL300019814552	1	40	-1.0	-48.22	339.56	5.74	-42.48
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1C1=CC=NC=C1	REAL300019814553	0	39	-1.0	-50.95	342.63	6.75	-44.20
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC=C1C1=CC=NC=C1	REAL300019814553	1	39	-1.0	-50.93	342.58	6.76	-44.17
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O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814554	1	44	-1.0	-49.32	380.08	9.60	-39.72
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CCC(C)C(C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)N1C=CC=C1C=O	REAL300019814567	0	45	-1.0	-50.17	366.29	7.24	-42.93
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CN1CC[N@H+](C)CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814576	1	44	0.0	-59.68	344.06	3.57	-56.11
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C=C1CC2(C1)CC(C(=O)NC1=CC(C3=N[N-]N=N3)=CC=C1F)C2	REAL300019817205	0	38	-1.0	-46.46	325.05	6.37	-40.09
C=C1CC2(C1)CC(C(=O)NC1=CC(C3=NN=N[N-]3)=CC=C1F)C2	REAL300019817205	1	38	-1.0	-46.47	325.11	6.36	-40.11
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817206	0	41	-1.0	-52.99	347.49	6.50	-46.49
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817206	1	41	-1.0	-52.98	347.55	6.51	-46.47
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817207	0	48	-1.0	-45.10	350.67	7.02	-38.08
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817207	1	48	-1.0	-45.10	350.73	7.01	-38.09
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C[C@@H]12	REAL300019817208	0	48	-1.0	-47.96	401.69	4.48	-43.48
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C[C@@H]12	REAL300019817208	1	48	-1.0	-47.93	401.76	4.47	-43.46
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(C(F)F)=NN1C	REAL300019817209	0	36	-1.0	-50.39	332.98	4.03	-46.36
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COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817210	1	41	-1.0	-62.27	345.56	4.32	-57.95
CCC1=CC=C(C(=O)C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300019817211	0	35	-1.0	-41.57	327.64	5.48	-36.09
CCC1=CC=C(C(=O)C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300019817211	1	35	-1.0	-41.55	327.70	5.48	-36.07
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CC1(C)OC2=CC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=CC=C2NC1=O	REAL300019817213	0	42	-1.0	-50.19	361.66	3.58	-46.61
CC1(C)OC2=CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=CC=C2NC1=O	REAL300019817213	1	42	-1.0	-50.17	361.71	3.57	-46.60
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CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C=C21	REAL300019817215	1	38	-1.0	-48.32	345.48	3.92	-44.40
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C=CC=C12	REAL300019817216	0	42	-1.0	-47.51	362.95	7.75	-39.76
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C=CC=C12	REAL300019817216	1	42	-1.0	-47.47	363.02	7.74	-39.73
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CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=NC=C1C(F)F	REAL300019817218	0	35	-1.0	-45.29	317.18	4.65	-40.64
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=NC=C1C(F)F	REAL300019817218	1	35	-1.0	-45.30	317.25	4.64	-40.66
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CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817223	0	50	-1.0	-47.48	415.96	2.79	-44.69
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817223	1	50	-1.0	-47.46	416.03	2.79	-44.67
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CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019817224	1	50	-1.0	-46.88	406.16	4.27	-42.61
COC1=CC=CC=C1OC(C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817225	0	41	-1.0	-55.74	352.67	5.92	-49.82
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CC1=C(Cl)C=NN1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817226	1	33	-1.0	-52.78	314.34	4.07	-48.71
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817227	0	44	-1.0	-58.01	375.89	3.80	-54.21
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817227	1	44	-1.0	-57.93	375.95	3.80	-54.13
CCC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)N2C=C(C)SC2=N1	REAL300019817228	0	39	-1.0	-48.36	347.29	6.75	-41.61
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCC(C2CCCO2)O1	REAL300019817229	0	42	-1.0	-50.57	350.73	4.25	-46.32
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC(C2CCCO2)O1	REAL300019817229	1	42	-1.0	-50.58	350.79	4.24	-46.34
CC1=CC(F)=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1[N+](=O)[O-]	REAL300019817230	0	35	-1.0	-47.33	320.73	6.26	-41.07
CC1=CC(F)=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1[N+](=O)[O-]	REAL300019817230	1	35	-1.0	-47.25	320.80	6.25	-41.00
CN1N=NC2=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C=CC=C21	REAL300019817231	0	35	-1.0	-65.73	315.01	3.64	-62.09
CN1N=NC2=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C=CC=C21	REAL300019817231	1	35	-1.0	-65.81	314.94	3.65	-62.16
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C2OCCCC2=C1	REAL300019817232	0	37	-1.0	-47.43	320.15	2.53	-44.90
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C2OCCCC2=C1	REAL300019817232	1	37	-1.0	-47.48	320.09	2.54	-44.94
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(C2=CC=NC=C2)=NO1	REAL300019817233	0	35	-1.0	-43.03	325.22	4.25	-38.78
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(C2=CC=NC=C2)=NO1	REAL300019817233	1	35	-1.0	-43.00	325.28	4.24	-38.76
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(F)(F)CCC1=CC=CC=C1	REAL300019817234	0	39	-1.0	-42.04	349.02	7.39	-34.65
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(F)(F)CCC1=CC=CC=C1	REAL300019817234	1	39	-1.0	-42.03	349.08	7.38	-34.65
CC1=CC2=C(C=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)S2)S1	REAL300019817235	0	33	-1.0	-46.16	322.44	6.30	-39.86
CC1=CC2=C(C=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)S2)S1	REAL300019817235	1	33	-1.0	-46.16	322.51	6.29	-39.87
O=C(CC12CCC(CC1)C2)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817236	0	40	-1.0	-47.63	320.12	6.27	-41.36
O=C(CC12CCC(CC1)C2)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817236	1	40	-1.0	-47.56	320.18	6.26	-41.30
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC=CC2=CC=CC=C21	REAL300019817237	0	38	-1.0	-49.29	327.55	7.22	-42.07
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC=CC2=CC=CC=C21	REAL300019817237	1	38	-1.0	-49.24	327.60	7.21	-42.03
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817238	0	41	-1.0	-51.94	367.97	1.16	-50.78
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817238	1	41	-1.0	-51.88	368.03	1.15	-50.73
CCCOCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817239	0	39	-1.0	-49.37	335.30	4.31	-45.06
CCCOCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817239	1	39	-1.0	-49.33	335.36	4.30	-45.03
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN2C=NN=C2C=N1	REAL300019817240	0	31	-1.0	-45.52	289.50	4.57	-40.95
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN2C=NN=C2C=N1	REAL300019817240	1	31	-1.0	-45.54	289.44	4.58	-40.96
CN1N=CC(C#N)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817241	0	31	-1.0	-46.22	300.18	2.91	-43.31
CN1N=CC(C#N)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817241	1	31	-1.0	-46.26	300.11	2.92	-43.34
CON(CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(=O)OC(C)(C)C	REAL300019817242	0	47	-1.0	-48.55	395.72	5.07	-43.48
CON(CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(=O)OC(C)(C)C	REAL300019817242	1	47	-1.0	-48.50	395.78	5.06	-43.44
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019817243	0	43	-1.0	-45.00	371.78	3.61	-41.39
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019817243	1	43	-1.0	-44.94	371.84	3.60	-41.34
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC2=NC=CC=C12	REAL300019817244	0	35	-1.0	-48.90	308.05	5.36	-43.54
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC2=NC=CC=C12	REAL300019817244	1	35	-1.0	-48.94	307.99	5.37	-43.57
COC(=O)C1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C(F)C=N1	REAL300019817245	0	35	-1.0	-46.91	326.94	3.94	-42.97
COC(=O)C1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C(F)C=N1	REAL300019817245	1	35	-1.0	-46.93	326.88	3.95	-42.98
CC1=CC2=C(OCC2)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019817246	0	38	-1.0	-53.65	327.67	6.37	-47.28
CC1=CC2=C(OCC2)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019817246	1	38	-1.0	-53.61	327.73	6.36	-47.25
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2SC=CC2=CN=C1	REAL300019817247	0	32	-1.0	-49.20	301.12	4.60	-44.60
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2SC=CC2=CN=C1	REAL300019817247	1	32	-1.0	-49.24	301.05	4.61	-44.63
CC(C)C(C)C(C)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817248	0	44	-1.0	-46.06	341.18	6.21	-39.85
CC(C)C(C)C(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817248	1	44	-1.0	-45.83	342.46	6.18	-39.65
COC1CC2(C1)CC(C(=O)NC1=CC(C3=N[N-]N=N3)=CC=C1F)C2	REAL300019817249	0	41	-1.0	-46.13	345.00	4.82	-41.31
COC1CC2(C1)CC(C(=O)NC1=CC(C3=NN=N[N-]3)=CC=C1F)C2	REAL300019817249	1	41	-1.0	-46.10	345.06	4.81	-41.29
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817250	0	46	-1.0	-49.49	388.18	7.18	-42.31
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817250	1	46	-1.0	-49.48	388.25	7.18	-42.30
CO[C@@H]1C[C@@]2(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C[C@@H]12	REAL300019817251	0	35	-1.0	-51.05	308.34	3.66	-47.39
CO[C@@H]1C[C@@]2(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C[C@@H]12	REAL300019817251	1	35	-1.0	-51.07	308.40	3.65	-47.42
CC1(C)CCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CO1	REAL300019817252	0	40	-1.0	-44.67	323.53	4.03	-40.64
CC1(C)CCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CO1	REAL300019817252	1	40	-1.0	-44.63	323.59	4.02	-40.61
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019817253	0	37	-1.0	-47.60	351.89	7.80	-39.80
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019817253	1	37	-1.0	-47.51	351.95	7.79	-39.72
O=C(CC1CCCNC(=O)C1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817254	0	40	-1.0	-63.07	329.09	2.53	-60.54
O=C(CC1CCCNC(=O)C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817254	1	40	-1.0	-63.09	329.15	2.52	-60.57
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1C(F)(F)F	REAL300019817255	0	33	-1.0	-44.95	296.93	4.94	-40.01
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1C(F)(F)F	REAL300019817255	1	33	-1.0	-44.06	297.80	4.93	-39.13
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCCC12CCC2	REAL300019817256	0	43	-1.0	-46.06	333.12	6.78	-39.28
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCCC12CCC2	REAL300019817256	1	43	-1.0	-46.05	333.18	6.76	-39.29
CC12CC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)(CO1)CCC2	REAL300019817257	0	41	-1.0	-47.14	328.42	4.26	-42.88
CC12CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)(CO1)CCC2	REAL300019817257	1	41	-1.0	-47.09	328.48	4.25	-42.84
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CCCC1C2(F)F	REAL300019817258	0	34	-1.0	-45.08	302.39	5.40	-39.68
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CCCC1C2(F)F	REAL300019817258	1	34	-1.0	-46.70	303.19	5.37	-41.33
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019817259	0	46	-1.0	-47.93	370.97	8.58	-39.35
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019817259	1	46	-1.0	-47.92	371.03	8.57	-39.35
CN1C=NC2=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C=CC=C21	REAL300019817260	0	36	-1.0	-61.02	320.10	6.49	-54.53
CN1C=NC2=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C=CC=C21	REAL300019817260	1	36	-1.0	-61.14	319.21	6.50	-54.64
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CCCCC1C2(F)F	REAL300019817261	0	37	-1.0	-44.78	312.61	5.82	-38.96
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CCCCC1C2(F)F	REAL300019817261	1	37	-1.0	-46.33	313.48	5.82	-40.51
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)C=NN1C1CCCC1	REAL300019817262	0	40	-1.0	-43.44	359.55	6.06	-37.38
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)C=NN1C1CCCC1	REAL300019817262	1	40	-1.0	-43.46	359.49	6.06	-37.40
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(C2CC2)C=CO1	REAL300019817263	0	34	-1.0	-47.54	303.22	5.17	-42.37
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(C2CC2)C=CO1	REAL300019817263	1	34	-1.0	-47.53	303.28	5.17	-42.36
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NNC(C2=CC=CC=N2)=C1	REAL300019817264	0	36	-1.0	-51.80	329.18	3.26	-48.54
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NNC(C2=CC=CC=N2)=C1	REAL300019817264	1	36	-1.0	-51.82	329.12	3.27	-48.55
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019817265	0	40	-1.0	-55.40	359.33	1.35	-54.05
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019817265	1	40	-1.0	-55.47	359.27	1.36	-54.11
CC1(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCCO1	REAL300019817266	0	37	-1.0	-50.75	307.93	4.39	-46.36
CC1(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCCO1	REAL300019817266	1	37	-1.0	-50.71	308.00	4.38	-46.33
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817267	0	30	-1.0	-38.01	306.94	1.34	-36.67
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817267	1	30	-1.0	-38.08	306.88	1.34	-36.74
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NC2=CC=CNC2=C1	REAL300019817268	0	33	-1.0	-64.04	301.28	3.17	-60.87
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NC2=CC=CNC2=C1	REAL300019817268	1	33	-1.0	-64.07	301.35	3.16	-60.91
COC1=C(Cl)C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C2=NC=CC=C21	REAL300019817269	0	39	-1.0	-51.87	359.37	5.86	-46.01
COC1=C(Cl)C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C2=NC=CC=C21	REAL300019817269	1	39	-1.0	-51.92	359.31	5.87	-46.05
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817270	0	45	-1.0	-53.51	375.35	6.16	-47.35
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817270	1	45	-1.0	-53.58	375.29	6.17	-47.41
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1C2C3CC1C(=O)C32	REAL300019817271	0	34	-1.0	-44.60	297.22	4.72	-39.88
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1C2C3CC1C(=O)C32	REAL300019817271	1	34	-1.0	-44.55	297.28	4.71	-39.84
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CN2N=NC=C12	REAL300019817272	0	32	-1.0	-48.35	289.57	3.58	-44.77
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CN2N=NC=C12	REAL300019817272	1	32	-1.0	-48.42	289.51	3.59	-44.83
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CC=C2F)O1	REAL300019825202	0	32	-1.0	-49.05	286.34	5.92	-43.13
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CC=C2F)O1	REAL300019825202	1	32	-1.0	-48.97	286.48	5.89	-43.08
CN(C(=O)CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019825203	0	36	-1.0	-47.09	331.64	4.33	-42.76
CN(C(=O)CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019825203	1	36	-1.0	-47.21	331.50	4.34	-42.87
CN(C(=O)CCSC1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL300019825204	0	39	-1.0	-48.25	332.87	7.18	-41.07
CN(C(=O)CCSC1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL300019825204	1	39	-1.0	-48.31	332.74	7.20	-41.11
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)N(C)C1=N[N-]N=N1	REAL300019825205	0	41	-1.0	-51.44	337.89	5.10	-46.34
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)N(C)C1=NN=N[N-]1	REAL300019825205	1	41	-1.0	-51.53	337.75	5.14	-46.39
COCCC(CC1=CC=CC(Br)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825206	0	39	-1.0	-46.76	340.83	7.46	-39.30
COCCC(CC1=CC=CC(Br)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825206	1	39	-1.0	-46.82	340.69	7.48	-39.34
CN(C(=O)C1=NC=CN=C1C(=O)NC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019825207	0	35	-1.0	-63.48	326.48	4.96	-58.52
CN(C(=O)C1=NC=CN=C1C(=O)NC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019825207	1	35	-1.0	-63.43	326.62	4.96	-58.47
CN(C(=O)C1=CSC(C2=CC=C(Br)S2)=N1)C1=NN=N[N-]1	REAL300019825208	0	26	-1.0	-47.67	282.65	6.51	-41.16
CN(C(=O)C1=CSC(C2=CC=C(Br)S2)=N1)C1=N[N-]N=N1	REAL300019825208	1	26	-1.0	-47.60	282.80	6.48	-41.12
CN(C(=O)C(CNC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825209	0	46	-1.0	-52.96	370.98	6.13	-46.83
CN(C(=O)C(CNC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825209	1	46	-1.0	-53.03	370.84	6.16	-46.87
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1OCC(=O)N1CCCCC1	REAL300019825210	0	50	-1.0	-52.46	394.00	9.26	-43.20
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1OCC(=O)N1CCCCC1	REAL300019825210	1	50	-1.0	-51.53	393.86	9.27	-42.26
CN(C(=O)C1CN(CC2=NC(=O)C3=CC=CC=C3N2)CCO1)C1=N[N-]N=N1	REAL300019825211	0	44	-1.0	-61.65	358.67	4.08	-57.57
CN(C(=O)C1CN(CC2=NC(=O)C3=CC=CC=C3N2)CCO1)C1=NN=N[N-]1	REAL300019825211	1	44	-1.0	-61.74	358.53	4.09	-57.65
CC(C(=O)N(C)C1=N[N-]N=N1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300019825212	0	38	-1.0	-39.37	288.20	4.50	-34.87
CC(C(=O)N(C)C1=NN=N[N-]1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300019825212	1	38	-1.0	-39.40	288.05	4.53	-34.87
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825213	0	37	-1.0	-54.83	311.47	5.87	-48.96
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825213	1	37	-1.0	-54.75	311.61	5.85	-48.90
CN(C(=O)CC1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL300019825214	0	32	-1.0	-54.36	303.74	3.90	-50.46
CN(C(=O)CC1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL300019825214	1	32	-1.0	-54.45	303.61	3.93	-50.52
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300019825215	0	47	-1.0	-45.78	377.16	9.12	-36.66
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300019825215	1	47	-1.0	-45.89	377.02	9.15	-36.74
CN(C(=O)C1=CC=CC(C(=O)N2CCCC2)=N1)C1=NN=N[N-]1	REAL300019825216	0	36	-1.0	-46.03	300.88	5.39	-40.64
CN(C(=O)C1=CC=CC(C(=O)N2CCCC2)=N1)C1=N[N-]N=N1	REAL300019825216	1	36	-1.0	-45.95	301.11	5.37	-40.58
CN(C(=O)C1=CC=NC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825217	0	29	-1.0	-47.90	271.43	3.06	-44.84
CN(C(=O)C1=CC=NC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825217	1	29	-1.0	-47.80	271.57	3.04	-44.76
CN(C(=O)CCS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL300019825218	0	41	-1.0	-52.57	353.34	3.75	-48.82
CN(C(=O)CCS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL300019825218	1	41	-1.0	-52.61	353.20	3.77	-48.84
CC(C)CNC(=O)N1CCCC(CC(=O)N(C)C2=N[N-]N=N2)C1	REAL300019825219	0	47	-1.0	-64.33	361.17	6.31	-58.02
CC(C)CNC(=O)N1CCCC(CC(=O)N(C)C2=NN=N[N-]2)C1	REAL300019825219	1	47	-1.0	-64.39	361.04	6.34	-58.05
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C3=NN=N[N-]3)CC2)=C1	REAL300019825220	0	47	0.0	-68.83	359.50	7.74	-61.09
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C3=N[N-]N=N3)CC2)=C1	REAL300019825220	1	47	0.0	-68.72	359.64	7.71	-61.01
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019825221	0	44	0.0	-69.00	338.09	7.08	-61.92
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019825221	1	44	0.0	-68.93	338.23	7.06	-61.87
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019825222	0	43	0.0	-68.11	335.85	6.50	-61.61
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019825222	1	43	0.0	-67.98	335.99	6.47	-61.51
CN(C(=O)CCN1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019825222	1	42	-1.0	-50.03	332.12	4.06	-45.97
CN(C(=O)CCN1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019825222	1	42	-1.0	-49.94	332.26	4.04	-45.90
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C1=N[N-]N=N1	REAL300019825223	0	44	0.0	-67.67	340.15	6.26	-61.41
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C1=NN=N[N-]1	REAL300019825223	1	44	0.0	-67.75	340.01	6.24	-61.51
CN(C(=O)C1=CC(CN2CCN(C)CC2)=CC=C1)C1=N[N-]N=N1	REAL300019825223	1	43	-1.0	-49.60	337.16	3.88	-45.72
CN(C(=O)C1=CC(CN2CCN(C)CC2)=CC=C1)C1=NN=N[N-]1	REAL300019825223	1	43	-1.0	-49.66	337.02	3.87	-45.79
COC1=CC=C2C(=C1)C(C(=O)N(C)C1=NN=N[N-]1)=C(C)N2CC1=CC=CC=C1	REAL300019825224	0	47	-1.0	-58.41	390.96	10.44	-47.97
COC1=CC=C2C(=C1)C(C(=O)N(C)C1=N[N-]N=N1)=C(C)N2CC1=CC=CC=C1	REAL300019825224	1	47	-1.0	-58.33	391.12	10.43	-47.90
CN(C(=O)C1CCCN(C(=O)COC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825225	0	44	-1.0	-49.76	349.99	8.00	-41.76
CN(C(=O)C1CCCN(C(=O)COC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825225	1	44	-1.0	-49.84	349.88	8.02	-41.82
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019825226	0	43	-1.0	-43.03	364.40	6.39	-36.64
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019825226	1	43	-1.0	-43.09	364.27	6.41	-36.68
CC(C)=CCSC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825227	0	37	-1.0	-52.51	311.05	8.76	-43.75
CC(C)=CCSC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825227	1	37	-1.0	-52.46	311.19	8.76	-43.70
CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C1=N[N-]N=N1	REAL300019825228	0	44	-1.0	-51.84	353.47	4.90	-46.94
CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C1=NN=N[N-]1	REAL300019825228	1	44	-1.0	-51.93	353.34	4.92	-47.01
CN(C(=O)C1=CC(N2CCNC2=O)=CC=C1F)C1=NN=N[N-]1	REAL300019825229	0	33	-1.0	-53.03	282.59	3.76	-49.27
CN(C(=O)C1=CC(N2CCNC2=O)=CC=C1F)C1=N[N-]N=N1	REAL300019825229	1	33	-1.0	-52.90	282.73	3.74	-49.16
CN(C(=O)C1=CC=C(OC2=CC=C(C(C)(C)C)C=C2)N=C1)C1=NN=N[N-]1	REAL300019825230	0	45	-1.0	-46.46	364.95	7.61	-38.85
CN(C(=O)C1=CC=C(OC2=CC=C(C(C)(C)C)C=C2)N=C1)C1=N[N-]N=N1	REAL300019825230	1	45	-1.0	-46.36	365.09	7.60	-38.76
CN(C(=O)C1=CC(Br)=C(C=O)N1C)C1=N[N-]N=N1	REAL300019825231	0	26	-1.0	-44.51	246.40	4.60	-39.91
CN(C(=O)C1=CC(Br)=C(C=O)N1C)C1=NN=N[N-]1	REAL300019825231	1	26	-1.0	-44.64	246.26	4.60	-40.04
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300019825232	0	50	-1.0	-45.02	393.47	9.56	-35.46
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300019825232	1	50	-1.0	-45.05	393.32	9.59	-35.46
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825233	0	38	-1.0	-74.96	334.25	5.83	-69.13
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825233	1	38	-1.0	-75.01	334.11	5.86	-69.15
CC(=O)NC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300019825234	0	36	-1.0	-44.81	310.82	5.18	-39.63
CC(=O)NC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300019825234	1	36	-1.0	-44.93	310.69	5.21	-39.72
CN(C(=O)C1CN(CC2=CC=CC=C2)CCO1)C1=N[N-]N=N1	REAL300019825235	0	39	-1.0	-48.14	312.03	5.20	-42.94
CN(C(=O)C1CN(CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019825235	1	39	-1.0	-48.22	311.89	5.22	-43.00
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1NC(=O)NC1=CC=CC=C1	REAL300019825236	0	42	-1.0	-64.31	347.19	7.06	-57.25
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1NC(=O)NC1=CC=CC=C1	REAL300019825236	1	42	-1.0	-64.43	347.06	7.06	-57.37
CN(C(=O)CCN1C(=O)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019825237	0	37	-1.0	-51.28	306.05	7.11	-44.17
CN(C(=O)CCN1C(=O)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019825237	1	37	-1.0	-51.42	305.92	7.15	-44.27
CN(C(=O)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019825238	0	34	-1.0	-45.73	323.61	8.80	-36.93
CN(C(=O)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019825238	1	34	-1.0	-45.86	323.47	8.81	-37.05
CN(C(=O)C1=CC(NC(=O)NC(C)(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL300019825239	0	41	-1.0	-49.88	341.06	4.98	-44.90
CN(C(=O)C1=CC(NC(=O)NC(C)(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL300019825239	1	41	-1.0	-49.94	340.92	4.98	-44.96
CC(C)C1=CC=C(N2CCC(C(=O)N(C)C3=N[N-]N=N3)C2=O)C=C1	REAL300019825240	0	43	-1.0	-56.19	343.64	8.12	-48.07
CC(C)C1=CC=C(N2CCC(C(=O)N(C)C3=NN=N[N-]3)C2=O)C=C1	REAL300019825240	1	43	-1.0	-56.26	343.51	8.13	-48.13
CN(C(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825241	0	40	-1.0	-49.68	332.32	8.16	-41.52
CN(C(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825241	1	40	-1.0	-49.61	332.46	8.13	-41.48
CN(C(=O)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019825242	0	39	-1.0	-52.66	343.79	6.38	-46.28
CN(C(=O)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019825242	1	39	-1.0	-52.70	343.64	6.37	-46.33
CC(C)CNC(=O)N1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL300019825243	0	44	-1.0	-44.85	337.21	5.65	-39.20
CC(C)CNC(=O)N1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL300019825243	1	44	-1.0	-44.91	337.07	5.67	-39.24
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300019825244	0	45	-1.0	-45.28	365.28	7.32	-37.96
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300019825244	1	45	-1.0	-45.40	365.14	7.35	-38.05
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300019825245	0	33	-1.0	-48.89	298.97	1.09	-47.80
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300019825245	1	33	-1.0	-48.99	298.82	1.09	-47.90
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300019825246	0	44	0.0	-73.07	339.21	6.08	-66.99
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300019825246	1	44	0.0	-73.17	339.08	6.06	-67.11
CN(C(=O)C1=CC(N2CCOC2=O)=CC=C1F)C1=NN=N[N-]1	REAL300019825247	0	32	-1.0	-64.04	279.14	5.07	-58.97
CN(C(=O)C1=CC(N2CCOC2=O)=CC=C1F)C1=N[N-]N=N1	REAL300019825247	1	32	-1.0	-63.99	279.28	5.07	-58.92
CN(C(=O)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1)C1=NN=N[N-]1	REAL300019825248	0	33	-1.0	-48.44	320.15	6.16	-42.28
CN(C(=O)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1)C1=N[N-]N=N1	REAL300019825248	1	33	-1.0	-48.36	320.30	6.15	-42.21
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825249	0	47	-1.0	-48.18	358.88	5.24	-42.94
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825249	1	47	-1.0	-48.20	358.28	5.26	-42.94
CN(C(=O)C1=CC(OCC(F)(F)F)=CC=C1OCC(F)(F)F)C1=N[N-]N=N1	REAL300019825250	0	37	-1.0	-59.56	345.73	6.84	-52.72
CN(C(=O)C1=CC(OCC(F)(F)F)=CC=C1OCC(F)(F)F)C1=NN=N[N-]1	REAL300019825250	1	37	-1.0	-59.62	345.58	6.87	-52.75
CN(C(=O)C1=CN=C(N2CCN(C)CC2)S1)C1=N[N-]N=N1	REAL300019825251	0	36	-1.0	-45.24	301.45	1.94	-43.30
CN(C(=O)C1=CN=C(N2CCN(C)CC2)S1)C1=NN=N[N-]1	REAL300019825251	1	36	-1.0	-45.31	301.30	1.95	-43.36
CN(C(=O)C1=CC=CC=C1OC1CCCCC1)C1=NN=N[N-]1	REAL300019825252	0	40	-1.0	-55.00	310.06	8.75	-46.25
CN(C(=O)C1=CC=CC=C1OC1CCCCC1)C1=N[N-]N=N1	REAL300019825252	1	40	-1.0	-54.95	310.21	8.74	-46.21
CN(C(=O)C1=CC=C(CNC(=O)C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019825253	0	42	-1.0	-50.17	342.69	5.96	-44.21
CN(C(=O)C1=CC=C(CNC(=O)C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019825253	1	42	-1.0	-50.23	342.55	5.96	-44.27
CN(C(=O)C1=CC=CC(CSC2=CC(Cl)=CC(Cl)=C2)=C1)C1=N[N-]N=N1	REAL300019825254	0	37	-1.0	-49.13	358.18	10.85	-38.28
CN(C(=O)C1=CC=CC(CSC2=CC(Cl)=CC(Cl)=C2)=C1)C1=NN=N[N-]1	REAL300019825254	1	37	-1.0	-49.24	358.04	10.83	-38.41
CCS(=O)(=O)NCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825255	0	37	-1.0	-56.61	323.16	2.62	-53.99
CCS(=O)(=O)NCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825255	1	37	-1.0	-56.65	323.01	2.61	-54.04
CN(C(=O)C1=CC=CC(SC2=CC=CC(Br)=C2)=N1)C1=NN=N[N-]1	REAL300019825256	0	33	-1.0	-50.76	319.77	9.00	-41.76
CN(C(=O)C1=CC=CC(SC2=CC=CC(Br)=C2)=N1)C1=N[N-]N=N1	REAL300019825256	1	33	-1.0	-50.71	319.91	9.01	-41.70
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019825257	0	28	-1.0	-53.11	270.74	7.50	-45.61
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019825257	1	28	-1.0	-53.19	270.61	7.50	-45.69
CN(C(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=N[N-]N=N1	REAL300019825258	0	34	-1.0	-54.21	297.61	5.57	-48.64
CN(C(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=NN=N[N-]1	REAL300019825258	1	34	-1.0	-54.27	297.48	5.61	-48.66
CN(C(=O)C1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL300019825259	0	23	-1.0	-42.37	229.22	5.57	-36.80
CN(C(=O)C1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL300019825259	1	23	-1.0	-42.42	229.08	5.56	-36.86
CN(C(=O)COC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019825260	0	27	-1.0	-47.98	272.25	6.88	-41.10
CN(C(=O)COC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019825260	1	27	-1.0	-48.09	272.11	6.90	-41.19
CC1=NC(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=CS1	REAL300019825261	0	32	-1.0	-56.40	285.69	6.31	-50.09
CC1=NC(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=CS1	REAL300019825261	1	32	-1.0	-56.34	285.83	6.31	-50.03
CN(C(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)C1=N[N-]N=N1	REAL300019825262	0	38	-1.0	-50.56	305.27	3.47	-47.09
CN(C(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)C1=NN=N[N-]1	REAL300019825262	1	38	-1.0	-50.64	305.13	3.51	-47.13
CN(C(=O)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)C1=N[N-]N=N1	REAL300019825263	0	33	-1.0	-49.11	296.26	8.53	-40.58
CN(C(=O)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)C1=NN=N[N-]1	REAL300019825263	1	33	-1.0	-49.11	296.11	8.52	-40.59
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825264	0	45	-1.0	-54.75	371.25	5.10	-49.65
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825264	1	45	-1.0	-54.85	371.10	5.12	-49.73
CN(C(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1=N[N-]N=N1	REAL300019825265	0	45	-1.0	-45.93	340.21	6.14	-39.79
CN(C(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1=NN=N[N-]1	REAL300019825265	1	45	-1.0	-46.01	340.07	6.15	-39.86
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825266	0	40	-1.0	-68.22	319.72	7.85	-60.37
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825266	1	40	-1.0	-68.33	319.58	7.86	-60.47
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(NC(C)=O)=C1OC	REAL300019825267	0	38	-1.0	-55.48	320.45	3.27	-52.21
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(NC(C)=O)=C1OC	REAL300019825267	1	38	-1.0	-55.45	320.59	3.28	-52.17
CN(CCCC(=O)N(C)C1=N[N-]N=N1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300019825268	0	41	-1.0	-69.11	350.52	4.62	-64.49
CN(CCCC(=O)N(C)C1=NN=N[N-]1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300019825268	1	41	-1.0	-69.22	350.38	4.66	-64.56
CN(C(=O)C1=C(C2=CC=CC(OC(F)F)=C2)NN=C1)C1=NN=N[N-]1	REAL300019825269	0	34	-1.0	-48.66	295.58	4.46	-44.20
CN(C(=O)C1=C(C2=CC=CC(OC(F)F)=C2)NN=C1)C1=N[N-]N=N1	REAL300019825269	1	34	-1.0	-48.52	295.71	4.45	-44.07
CN(C(=O)C1=CNN=C1C1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019825269	1	34	-1.0	-52.88	294.76	4.57	-48.31
CN(C(=O)C1=CNN=C1C1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019825269	1	34	-1.0	-52.75	294.91	4.55	-48.20
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)N(C)C1=N[N-]N=N1)S2	REAL300019825270	0	39	-1.0	-46.74	342.49	4.01	-42.73
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)N(C)C1=NN=N[N-]1)S2	REAL300019825270	1	39	-1.0	-46.81	342.36	4.03	-42.78
CN(C(=O)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1)C1=N[N-]N=N1	REAL300019825271	0	42	-1.0	-55.09	327.18	9.01	-46.08
CN(C(=O)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1)C1=NN=N[N-]1	REAL300019825271	1	42	-1.0	-55.18	327.04	9.03	-46.15
CN(C(=O)C1CCN(C2=CC=CC(Cl)=C2)C1=O)C1=N[N-]N=N1	REAL300019825272	0	34	-1.0	-47.28	294.83	6.73	-40.55
CN(C(=O)C1CCN(C2=CC=CC(Cl)=C2)C1=O)C1=NN=N[N-]1	REAL300019825272	1	34	-1.0	-47.34	294.67	6.75	-40.59
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825273	0	33	-1.0	-46.90	298.30	7.25	-39.65
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825273	1	33	-1.0	-46.81	298.45	7.23	-39.58
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1)C1=N[N-]N=N1	REAL300019825274	0	49	-1.0	-35.13	361.72	6.34	-28.79
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1)C1=NN=N[N-]1	REAL300019825274	1	49	-1.0	-35.19	361.60	6.36	-28.83
CCCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300019825275	0	38	-1.0	-56.59	328.20	8.52	-48.07
CCCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300019825275	1	38	-1.0	-56.68	328.07	8.53	-48.15
CN(C(=O)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1)C1=NN=N[N-]1	REAL300019825276	0	32	-1.0	-46.71	316.55	5.55	-41.16
CN(C(=O)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1)C1=N[N-]N=N1	REAL300019825276	1	32	-1.0	-46.68	316.69	5.54	-41.14
CN(C(=O)C1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C1=N[N-]N=N1	REAL300019825277	0	42	-1.0	-45.51	342.17	9.48	-36.03
CN(C(=O)C1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C1=NN=N[N-]1	REAL300019825277	1	42	-1.0	-45.55	342.03	9.50	-36.05
CN(C(=O)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019825278	0	34	-1.0	-46.49	324.62	8.86	-37.63
CN(C(=O)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019825278	1	34	-1.0	-46.58	324.49	8.86	-37.72
CN(C(=O)C1=CC=C(S(=O)(=O)CC(N)=O)C=C1)C1=N[N-]N=N1	REAL300019825279	0	33	-1.0	-59.54	299.89	-0.59	-60.13
CN(C(=O)C1=CC=C(S(=O)(=O)CC(N)=O)C=C1)C1=NN=N[N-]1	REAL300019825279	1	33	-1.0	-59.59	299.75	-0.59	-60.18
CN(C(=O)C1=CNC=C1C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300019825280	0	37	-1.0	-59.44	314.50	5.69	-53.75
CN(C(=O)C1=CNC=C1C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300019825280	1	37	-1.0	-59.39	314.64	5.66	-53.73
CN(C(=O)COC1=CC=C(C=O)C=C1Br)C1=N[N-]N=N1	REAL300019825281	0	29	-1.0	-59.31	282.36	6.23	-53.08
CN(C(=O)COC1=CC=C(C=O)C=C1Br)C1=NN=N[N-]1	REAL300019825281	1	29	-1.0	-59.38	282.22	6.26	-53.12
CC1=CC=C(CN2C(=O)CCC2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825282	0	40	-1.0	-52.15	335.31	7.92	-44.23
CC1=CC=C(CN2C(=O)CCC2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825282	1	40	-1.0	-52.19	335.18	7.94	-44.25
CC1=NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2N1C1CCS(=O)(=O)C1	REAL300019825283	0	42	-1.0	-64.33	347.98	4.50	-59.83
CC1=NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2N1C1CCS(=O)(=O)C1	REAL300019825283	1	42	-1.0	-64.43	347.83	4.48	-59.95
CN(C(=O)CNS(=O)(=O)C1=CNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300019825284	0	33	-1.0	-63.21	307.84	-3.85	-67.06
CN(C(=O)CNS(=O)(=O)C1=CNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300019825284	1	33	-1.0	-63.30	307.71	-3.82	-67.12
CN(C(=O)CN(CC1CCCO1)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825285	0	47	-1.0	-52.05	372.04	6.38	-45.67
CN(C(=O)CN(CC1CCCO1)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825285	1	47	-1.0	-52.11	371.90	6.41	-45.70
CN(C(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL300019825286	0	33	-1.0	-57.09	294.32	7.21	-49.88
CN(C(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL300019825286	1	33	-1.0	-57.15	294.19	7.24	-49.91
CN(C(=O)C(C1=CC=CC(F)=C1)N1CCOCC1)C1=N[N-]N=N1	REAL300019825287	0	39	-1.0	-45.02	315.62	4.42	-40.60
CN(C(=O)C(C1=CC=CC(F)=C1)N1CCOCC1)C1=NN=N[N-]1	REAL300019825287	1	39	-1.0	-45.10	315.48	4.43	-40.67
CC(C(=O)N(C)C1=N[N-]N=N1)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300019825288	0	49	-1.0	-35.19	373.14	7.30	-27.89
CC(C(=O)N(C)C1=NN=N[N-]1)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300019825288	1	49	-1.0	-35.25	372.99	7.33	-27.92
CN(C(=O)C1=CC=CC=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825289	0	34	-1.0	-51.92	295.74	8.95	-42.97
CN(C(=O)C1=CC=CC=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825289	1	34	-1.0	-51.77	295.87	8.94	-42.83
CN(C(=O)C1=NC=CN=C1NC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300019825290	0	37	-1.0	-47.00	314.09	3.85	-43.15
CN(C(=O)C1=NC=CN=C1NC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300019825290	1	37	-1.0	-46.88	314.23	3.84	-43.04
CN(C(=O)C1=CC(C2CC2)=NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300019825291	0	35	-1.0	-47.60	298.15	7.42	-40.18
CN(C(=O)C1=CC(C2CC2)=NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300019825291	1	35	-1.0	-47.50	298.30	7.43	-40.07
CN(C(=O)CC(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825292	0	49	-1.0	-54.37	380.61	7.15	-47.22
CN(C(=O)CC(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825292	1	49	-1.0	-54.42	380.46	7.17	-47.25
CN(C(=O)C=CC1=CC(Br)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300019825293	0	33	-1.0	-49.19	303.71	6.29	-42.90
CN(C(=O)C=CC1=CC(Br)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300019825293	1	33	-1.0	-49.25	303.57	6.30	-42.95
CN(C(=O)C1=C(C2=CC=C3OCCOC3=C2)OC=N1)C1=NN=N[N-]1	REAL300019825294	0	35	-1.0	-51.05	301.25	3.88	-47.17
CN(C(=O)C1=C(C2=CC=C3OCCOC3=C2)OC=N1)C1=N[N-]N=N1	REAL300019825294	1	35	-1.0	-50.97	301.38	3.85	-47.12
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1NC(=O)CC(C)C	REAL300019825295	0	42	-1.0	-51.91	336.45	6.87	-45.04
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1NC(=O)CC(C)C	REAL300019825295	1	42	-1.0	-51.98	336.35	6.89	-45.09
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(OC)=C1OC(F)F	REAL300019825296	0	35	-1.0	-47.49	304.70	4.47	-43.02
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(OC)=C1OC(F)F	REAL300019825296	1	35	-1.0	-47.59	304.54	4.47	-43.12
CN(C(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019825297	0	40	-1.0	-55.01	317.57	6.82	-48.19
CN(C(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019825297	1	40	-1.0	-55.13	317.44	6.85	-48.28
CN(C(=O)C1=CC=C(OC2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019825298	0	38	-1.0	-47.55	303.31	5.27	-42.28
CN(C(=O)C1=CC=C(OC2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019825298	1	38	-1.0	-47.61	303.16	5.27	-42.34
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1N1CCNC1=O	REAL300019825299	0	37	-1.0	-59.04	312.04	3.32	-55.72
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1N1CCNC1=O	REAL300019825299	1	37	-1.0	-58.96	312.18	3.33	-55.63
CC(C)CC(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL300019825300	0	39	-1.0	-48.34	322.30	6.09	-42.25
CC(C)CC(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL300019825300	1	39	-1.0	-48.41	322.15	6.10	-42.31
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825301	0	39	-1.0	-58.86	339.19	2.90	-55.96
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825301	1	39	-1.0	-58.94	339.04	2.89	-56.05
CN(C(=O)C=CC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300019825302	0	24	-1.0	-46.48	250.59	6.19	-40.29
CN(C(=O)C=CC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300019825302	1	24	-1.0	-46.60	250.44	6.21	-40.39
CN(C(=O)C1=CC=CC=C1SC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019825303	0	40	-1.0	-57.52	358.85	6.50	-51.02
CN(C(=O)C1=CC=CC=C1SC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019825303	1	40	-1.0	-57.58	358.71	6.51	-51.07
COC1=CC(Cl)=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825304	0	27	-1.0	-46.44	260.83	6.28	-40.16
COC1=CC(Cl)=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825304	1	27	-1.0	-46.52	260.69	6.29	-40.23
CN(C(=O)C1(C2=CC=CC(Br)=C2)CCCCC1)C1=N[N-]N=N1	REAL300019825305	0	39	-1.0	-46.56	309.79	8.64	-37.92
CN(C(=O)C1(C2=CC=CC(Br)=C2)CCCCC1)C1=NN=N[N-]1	REAL300019825305	1	39	-1.0	-46.66	309.65	8.64	-38.02
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019825306	0	31	-2.0	-107.73	286.28	2.30	-105.43
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019825306	1	31	-2.0	-107.69	286.42	2.29	-105.40
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)NC(C2=CC=CO2)=N1	REAL300019825306	1	32	-1.0	-57.28	287.89	3.34	-53.94
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)NC(C2=CC=CO2)=N1	REAL300019825306	1	32	-1.0	-57.23	288.03	3.34	-53.89
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=NN=N[N-]3)=N2)C=C1	REAL300019825307	0	34	-2.0	-116.92	299.88	4.13	-112.79
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=N2)C=C1	REAL300019825307	1	34	-2.0	-116.88	300.03	4.10	-112.78
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019825308	0	30	-2.0	-112.77	277.29	4.86	-107.91
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019825308	1	30	-2.0	-112.75	277.44	4.83	-107.92
CC1=CC(C)=NC(N2[N-]C(C(=O)N(C)C3=N[N-]N=N3)=CC2=O)=N1	REAL300019825309	0	34	-2.0	-103.19	305.88	6.34	-96.85
CC1=CC(C)=NC(N2[N-]C(C(=O)N(C)C3=NN=N[N-]3)=CC2=O)=N1	REAL300019825309	1	34	-2.0	-103.20	305.74	6.35	-96.85
CN(C(=O)C1=CNC2=CC=C(Br)C=C2C1=O)C1=NN=N[N-]1	REAL300019825310	0	29	-1.0	-62.11	281.93	5.61	-56.50
CN(C(=O)C1=CNC2=CC=C(Br)C=C2C1=O)C1=N[N-]N=N1	REAL300019825310	1	29	-1.0	-61.99	282.05	5.59	-56.40
CN(C(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019825311	0	30	-2.0	-121.66	273.90	4.93	-116.73
CN(C(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019825311	1	30	-2.0	-121.56	274.05	4.91	-116.65
CN(C(=O)C1=CNC2=C(OC(F)(F)F)C=CC=C2C1=O)C1=N[N-]N=N1	REAL300019825312	0	33	-1.0	-55.44	305.56	4.89	-50.55
CN(C(=O)C1=CNC2=C(OC(F)(F)F)C=CC=C2C1=O)C1=NN=N[N-]1	REAL300019825312	1	33	-1.0	-55.54	305.43	4.91	-50.63
CC1=CC(F)=CC2=C1NC=C(C(=O)N(C)C1=NN=N[N-]1)C2=O	REAL300019825313	0	32	-1.0	-65.87	285.10	5.84	-60.03
CC1=CC(F)=CC2=C1NC=C(C(=O)N(C)C1=N[N-]N=N1)C2=O	REAL300019825313	1	32	-1.0	-65.79	285.24	5.85	-59.94
CN(C(=O)C1=CC=C(N2C=C(Br)C=N2)N=N1)C1=NN=N[N-]1	REAL300019825314	0	28	-1.0	-42.69	276.83	5.60	-37.09
CN(C(=O)C1=CC=C(N2C=C(Br)C=N2)N=N1)C1=N[N-]N=N1	REAL300019825314	1	28	-1.0	-42.64	276.97	5.58	-37.06
CN(C(=O)C1=CN2C(I)=CN=C2C=C1)C1=NN=N[N-]1	REAL300019825315	0	26	-1.0	-44.35	256.04	6.39	-37.96
CN(C(=O)C1=CN2C(I)=CN=C2C=C1)C1=N[N-]N=N1	REAL300019825315	1	26	-1.0	-44.28	256.19	6.40	-37.88
CN(C(=O)CC1=CC=C(NC(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL300019825316	0	37	-1.0	-53.39	317.05	6.44	-46.95
CN(C(=O)CC1=CC=C(NC(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL300019825316	1	37	-1.0	-53.46	316.92	6.48	-46.98
CN(C(=O)C1=CC(Cl)=CC=C1OC1CCCC1)C1=N[N-]N=N1	REAL300019825317	0	37	-1.0	-51.32	312.52	8.71	-42.61
CN(C(=O)C1=CC(Cl)=CC=C1OC1CCCC1)C1=NN=N[N-]1	REAL300019825317	1	37	-1.0	-51.43	312.38	8.73	-42.70
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N(C)C1=N[N-]N=N1	REAL300019825318	0	40	-1.0	-55.99	335.50	6.18	-49.81
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N(C)C1=NN=N[N-]1	REAL300019825318	1	40	-1.0	-56.07	335.36	6.21	-49.86
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300019825319	0	43	-1.0	-50.04	350.12	10.25	-39.79
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300019825319	1	43	-1.0	-49.92	350.38	10.23	-39.69
CC(C)CC(CC1=CC=CC(Br)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825320	0	41	-1.0	-46.15	346.00	9.65	-36.50
CC(C)CC(CC1=CC=CC(Br)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825320	1	41	-1.0	-46.24	345.87	9.68	-36.56
CN(C(=O)C1=C(F)C=CC=C1Br)C1=N[N-]N=N1	REAL300019825321	0	23	-1.0	-51.29	235.50	5.69	-45.60
CN(C(=O)C1=C(F)C=CC=C1Br)C1=NN=N[N-]1	REAL300019825321	1	23	-1.0	-51.37	235.37	5.69	-45.68
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300019825322	0	33	-1.0	-46.11	297.46	8.27	-37.84
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019825322	1	33	-1.0	-46.17	297.31	8.26	-37.91
CN(C(=O)C1=CC=C(NC(=O)OCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019825323	0	34	-1.0	-51.60	310.26	4.50	-47.10
CN(C(=O)C1=CC=C(NC(=O)OCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019825323	1	34	-1.0	-51.18	309.95	4.52	-46.66
CN(C(=O)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1)C1=N[N-]N=N1	REAL300019825324	0	33	-1.0	-50.60	294.91	8.08	-42.52
CN(C(=O)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1)C1=NN=N[N-]1	REAL300019825324	1	33	-1.0	-50.72	294.77	8.11	-42.61
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)N1C=C(Br)C=N1	REAL300019825325	0	32	-1.0	-41.90	288.27	5.77	-36.13
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)N1C=C(Br)C=N1	REAL300019825325	1	32	-1.0	-41.78	288.42	5.75	-36.03
CN(C(=O)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019825326	0	34	-1.0	-56.37	330.14	8.97	-47.40
CN(C(=O)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019825326	1	34	-1.0	-56.33	330.26	8.95	-47.38
CN(C(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=N[N-]N=N1	REAL300019825327	0	35	-1.0	-61.50	293.38	3.30	-58.20
CN(C(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)C1=NN=N[N-]1	REAL300019825327	1	35	-1.0	-61.59	293.25	3.32	-58.27
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=C1	REAL300019825328	0	43	-1.0	-51.39	363.73	11.04	-40.35
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=C1	REAL300019825328	1	43	-1.0	-51.48	363.59	11.04	-40.44
CCC1=CC=C(C(=O)N2CCC(C(=O)N(C)C3=N[N-]N=N3)CC2)O1	REAL300019825329	0	43	-1.0	-51.98	341.89	6.75	-45.23
CCC1=CC=C(C(=O)N2CCC(C(=O)N(C)C3=NN=N[N-]3)CC2)O1	REAL300019825329	1	43	-1.0	-52.05	341.76	6.79	-45.26
CC(C)N1C=C(Br)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825330	0	30	-1.0	-44.93	267.28	6.47	-38.46
CC(C)N1C=C(Br)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825330	1	30	-1.0	-44.99	267.13	6.49	-38.50
CN(C(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825331	0	43	-1.0	-54.75	344.54	7.43	-47.32
CN(C(=O)CN(CC1CC1)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825331	1	43	-1.0	-54.82	344.40	7.46	-47.36
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300019825332	0	32	-1.0	-48.04	282.38	7.72	-40.32
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300019825332	1	32	-1.0	-48.11	282.25	7.74	-40.37
CCC1=NC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300019825333	0	35	-1.0	-56.33	306.62	7.76	-48.57
CCC1=NC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300019825333	1	35	-1.0	-56.29	306.72	7.75	-48.54
COC1=CC=C(C2=NC=C(C(=O)N(C)C3=NN=N[N-]3)S2)C=C1	REAL300019825334	0	33	-1.0	-46.80	296.23	5.05	-41.75
COC1=CC=C(C2=NC=C(C(=O)N(C)C3=N[N-]N=N3)S2)C=C1	REAL300019825334	1	33	-1.0	-46.66	296.38	5.04	-41.62
CN(C(=O)C(C1=CC=CC(Br)=C1)N1CCCC1)C1=N[N-]N=N1	REAL300019825335	0	38	-1.0	-49.73	324.10	6.52	-43.21
CN(C(=O)C(C1=CC=CC(Br)=C1)N1CCCC1)C1=NN=N[N-]1	REAL300019825335	1	38	-1.0	-49.79	323.96	6.54	-43.25
CN(C(=O)C(C1=CC=CC=C1F)N1CCOCC1)C1=N[N-]N=N1	REAL300019825336	0	39	-1.0	-46.73	312.72	4.46	-42.27
CN(C(=O)C(C1=CC=CC=C1F)N1CCOCC1)C1=NN=N[N-]1	REAL300019825336	1	39	-1.0	-46.78	312.59	4.48	-42.30
CC(CC(=O)N(C)C1=N[N-]N=N1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300019825337	0	38	-1.0	-64.21	335.38	3.31	-60.90
CC(CC(=O)N(C)C1=NN=N[N-]1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300019825337	1	38	-1.0	-64.32	335.24	3.34	-60.98
CN(C(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=N[N-]N=N1	REAL300019825338	0	39	-1.0	-51.61	321.48	5.87	-45.74
CN(C(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=NN=N[N-]1	REAL300019825338	1	39	-1.0	-51.67	321.34	5.88	-45.79
CN(C(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019825339	0	38	-1.0	-53.73	328.42	5.14	-48.59
CN(C(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019825339	1	38	-1.0	-53.85	328.28	5.16	-48.69
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825340	0	44	-1.0	-49.54	364.32	6.13	-43.41
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825340	1	44	-1.0	-49.62	364.17	6.15	-43.47
CN(C(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=NN=N[N-]1	REAL300019825341	0	39	-1.0	-36.09	319.19	6.75	-29.34
CN(C(=O)C1CCCN(C2=C3C=CSC3=NC=N2)C1)C1=N[N-]N=N1	REAL300019825341	1	39	-1.0	-36.06	319.33	6.72	-29.34
CN(C(=O)C(C1=CC=C(Cl)C=C1Cl)N1CCOCC1)C1=N[N-]N=N1	REAL300019825342	0	39	-1.0	-44.05	335.44	4.68	-39.37
CN(C(=O)C(C1=CC=C(Cl)C=C1Cl)N1CCOCC1)C1=NN=N[N-]1	REAL300019825342	1	39	-1.0	-44.11	335.31	4.68	-39.43
CN(C(=O)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1)C1=NN=N[N-]1	REAL300019825343	0	38	-1.0	-47.16	341.07	7.42	-39.74
CN(C(=O)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1)C1=N[N-]N=N1	REAL300019825343	1	38	-1.0	-47.15	341.21	7.43	-39.72
CN(C(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL300019825344	0	33	-1.0	-55.01	298.96	4.69	-50.32
CN(C(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL300019825344	1	33	-1.0	-55.07	298.82	4.68	-50.39
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825345	0	42	0.0	-71.11	328.20	8.89	-62.22
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825345	1	42	0.0	-72.03	330.88	8.94	-63.09
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825345	1	42	0.0	-71.01	328.33	8.87	-62.14
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825345	1	42	0.0	-71.91	331.01	8.91	-63.00
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300019825346	0	35	-1.0	-50.52	297.53	8.01	-42.51
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300019825346	1	35	-1.0	-50.63	297.39	8.03	-42.60
CN(C(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=NN=N[N-]1	REAL300019825347	0	43	-1.0	-48.10	353.46	6.94	-41.16
CN(C(=O)C1=CC=C(C2=NOC(CC(C)(C)C)=N2)C=C1)C1=N[N-]N=N1	REAL300019825347	1	43	-1.0	-48.08	353.60	6.95	-41.13
CN(C(=O)C1=CC=C(F)C=C1C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019825348	0	33	-1.0	-44.20	320.62	9.50	-34.70
CN(C(=O)C1=CC=C(F)C=C1C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019825348	1	33	-1.0	-44.08	320.75	9.47	-34.61
CC(C)C1=NN(C)C2=C1C=C(C(=O)N(C)C1=NN=N[N-]1)S2	REAL300019825349	0	35	-1.0	-46.28	305.89	5.84	-40.44
CC(C)C1=NN(C)C2=C1C=C(C(=O)N(C)C1=N[N-]N=N1)S2	REAL300019825349	1	35	-1.0	-46.16	306.03	5.82	-40.34
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019825350	0	38	-2.0	-106.62	335.78	1.10	-105.52
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019825350	1	38	-2.0	-106.70	335.65	1.10	-105.60
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(NS(C)(=O)=O)=C1OC	REAL300019825350	1	39	-1.0	-53.87	338.40	1.06	-52.81
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(NS(C)(=O)=O)=C1OC	REAL300019825350	1	39	-1.0	-53.93	338.31	1.07	-52.86
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825351	0	42	-1.0	-58.41	350.50	3.19	-55.22
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825351	1	42	-1.0	-58.52	350.00	3.20	-55.32
COC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C)=C1Br	REAL300019825352	0	27	-1.0	-48.39	265.16	5.54	-42.85
COC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C)=C1Br	REAL300019825352	1	27	-1.0	-48.50	265.02	5.54	-42.96
CN(C(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825353	0	43	-1.0	-48.05	336.57	6.15	-41.90
CN(C(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825353	1	43	-1.0	-48.08	336.43	6.17	-41.91
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1NC(=O)OC(C)(C)C	REAL300019825354	0	43	-1.0	-57.18	343.13	6.10	-51.08
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300019825354	1	43	-1.0	-57.27	342.99	6.12	-51.15
CN(C(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=NN=N[N-]1	REAL300019825355	0	33	-1.0	-44.59	290.11	7.50	-37.09
CN(C(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=N[N-]N=N1	REAL300019825355	1	33	-1.0	-44.51	290.26	7.49	-37.02
CCCCCCCCCCCCCC(=O)N(C)C1=N[N-]N=N1	REAL300019825356	0	52	-1.0	-46.89	406.34	11.56	-35.33
CCCCCCCCCCCCCC(=O)N(C)C1=NN=N[N-]1	REAL300019825356	1	52	-1.0	-47.00	406.20	11.60	-35.40
CC(C)=CC(=O)NCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825357	0	40	-1.0	-49.98	333.95	6.00	-43.98
CC(C)=CC(=O)NCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825357	1	40	-1.0	-50.09	333.80	6.00	-44.09
CN(C(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300019825358	0	36	-1.0	-51.42	310.78	7.52	-43.90
CN(C(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300019825358	1	36	-1.0	-51.34	310.92	7.51	-43.83
CN(C(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL300019825359	0	40	-1.0	-46.58	335.01	4.02	-42.56
CN(C(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL300019825359	1	40	-1.0	-46.69	334.87	4.05	-42.64
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300019825360	0	26	-1.0	-30.21	254.19	6.46	-23.75
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300019825360	1	26	-1.0	-30.24	254.03	6.46	-23.78
CN(C(=O)CCC1=NC2=CC(Br)=CC=C2S1)C1=N[N-]N=N1	REAL300019825361	0	31	-1.0	-47.25	304.28	6.81	-40.44
CN(C(=O)CCC1=NC2=CC(Br)=CC=C2S1)C1=NN=N[N-]1	REAL300019825361	1	31	-1.0	-47.36	304.14	6.84	-40.52
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825362	0	38	-1.0	-58.18	320.76	4.15	-54.03
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825362	1	38	-1.0	-58.25	320.62	4.17	-54.08
CN(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300019825363	0	36	-1.0	-54.03	319.36	6.82	-47.21
CN(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300019825363	1	36	-1.0	-54.08	319.22	6.85	-47.23
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(Br)C=C1S(N)(=O)=O	REAL300019825364	0	31	-1.0	-46.00	291.41	1.20	-44.80
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(Br)C=C1S(N)(=O)=O	REAL300019825364	1	31	-1.0	-46.03	291.27	1.21	-44.82
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019825365	0	38	-1.0	-47.40	313.11	8.02	-39.38
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019825365	1	38	-1.0	-47.35	313.26	8.02	-39.33
CC(C)OC1=CC(Br)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825366	0	33	-1.0	-44.59	293.77	6.39	-38.20
CC(C)OC1=CC(Br)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825366	1	33	-1.0	-44.68	293.63	6.39	-38.29
CN(C(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019825367	0	41	-1.0	-62.87	338.78	4.97	-57.90
CN(C(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019825367	1	41	-1.0	-62.92	338.64	5.00	-57.92
CN(C(=O)C1CCN(CC2=NC=CN2C)CC1)C1=N[N-]N=N1	REAL300019825368	0	41	-1.0	-40.67	318.57	4.78	-35.89
CN(C(=O)C1CCN(CC2=NC=CN2C)CC1)C1=NN=N[N-]1	REAL300019825368	1	41	-1.0	-40.74	318.44	4.79	-35.95
CN(C(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=NN=N[N-]1	REAL300019825369	0	36	-1.0	-49.76	310.32	7.16	-42.60
CN(C(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=N[N-]N=N1	REAL300019825369	1	36	-1.0	-49.64	310.46	7.16	-42.48
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300019825370	0	43	-1.0	-47.62	337.65	5.36	-42.26
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300019825370	1	43	-1.0	-47.71	337.51	5.39	-42.32
CC1=NN(CC2=CC=CC(Br)=C2)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825371	0	39	-1.0	-47.29	352.13	8.33	-38.96
CC1=NN(CC2=CC=CC(Br)=C2)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825371	1	39	-1.0	-47.37	351.99	8.35	-39.02
CC(C)OCCS(=O)(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL300019825372	0	37	-1.0	-53.49	323.62	0.11	-53.38
CC(C)OCCS(=O)(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL300019825372	1	37	-1.0	-53.61	323.48	0.13	-53.48
CN(C(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300019825373	0	33	-1.0	-47.53	306.69	5.76	-41.77
CN(C(=O)C1=CC=C(OC2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300019825373	1	33	-1.0	-47.44	306.83	5.75	-41.69
CC1=C(C2=CC=CC=C2)C=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL300019825374	0	36	-1.0	-60.94	313.39	6.16	-54.78
CC1=C(C2=CC=CC=C2)C=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL300019825374	1	36	-1.0	-60.85	313.54	6.15	-54.70
CN(C(=O)C1CCCCN1CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019825375	0	41	-1.0	-48.93	327.63	6.83	-42.10
CN(C(=O)C1CCCCN1CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019825375	1	41	-1.0	-49.02	327.50	6.86	-42.16
CN(C(=O)C1CCCN1CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019825376	0	38	-1.0	-48.91	302.47	5.50	-43.41
CN(C(=O)C1CCCN1CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019825376	1	38	-1.0	-48.98	302.33	5.52	-43.46
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019825377	0	33	-2.0	-80.14	312.96	3.05	-77.09
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019825377	1	33	-2.0	-80.22	312.82	3.05	-77.17
CN(C(=O)C1=CC2=CC=CC=C2C=C1I)C1=N[N-]N=N1	REAL300019825378	0	29	-1.0	-47.49	271.18	8.21	-39.28
CN(C(=O)C1=CC2=CC=CC=C2C=C1I)C1=NN=N[N-]1	REAL300019825378	1	29	-1.0	-47.57	271.04	8.20	-39.37
CC1C(=O)NC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C2N1C	REAL300019825379	0	36	-1.0	-51.72	289.36	2.63	-49.09
CC1C(=O)NC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2N1C	REAL300019825379	1	36	-1.0	-51.63	289.51	2.63	-49.00
CCOC1=CC=C(C2=NNC(=S)N2CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825380	0	43	-1.0	-47.51	370.23	8.45	-39.06
CCOC1=CC=C(C2=NNC(=S)N2CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825380	1	43	-1.0	-47.57	370.09	8.49	-39.08
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825380	1	42	-2.0	-94.29	366.46	8.29	-86.00
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825380	1	42	-2.0	-94.33	366.32	8.31	-86.02
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825381	0	39	-1.0	-48.19	339.96	8.88	-39.31
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825381	1	39	-1.0	-48.37	339.83	8.91	-39.46
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825381	1	38	-2.0	-94.44	336.93	8.73	-85.71
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825381	1	38	-2.0	-94.51	336.79	8.76	-85.75
CN(C(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019825382	0	25	-1.0	-53.55	253.00	7.11	-46.44
CN(C(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019825382	1	25	-1.0	-53.64	252.86	7.12	-46.52
CN(C(=O)CCC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL300019825383	0	29	-1.0	-45.44	285.21	7.77	-37.67
CN(C(=O)CCC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL300019825383	1	29	-1.0	-45.51	285.07	7.79	-37.72
CN(C(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019825384	0	40	-1.0	-46.93	320.79	5.17	-41.76
CN(C(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019825384	1	40	-1.0	-47.03	320.66	5.19	-41.84
CN(C(=O)CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825385	0	50	-1.0	-51.48	374.15	7.96	-43.52
CN(C(=O)CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825385	1	50	-1.0	-51.54	374.01	7.99	-43.55
CC1=CC=C(S(=O)(=O)C2(C(=O)N(C)C3=N[N-]N=N3)CCCC2)C=C1	REAL300019825386	0	42	-1.0	-49.25	335.81	5.85	-43.40
CC1=CC=C(S(=O)(=O)C2(C(=O)N(C)C3=NN=N[N-]3)CCCC2)C=C1	REAL300019825386	1	42	-1.0	-49.35	335.67	5.85	-43.50
CN(C(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825387	0	43	-1.0	-57.66	355.78	6.47	-51.19
CN(C(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825387	1	43	-1.0	-57.71	355.65	6.50	-51.21
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825388	0	43	-1.0	-47.58	331.44	7.39	-40.19
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825388	1	43	-1.0	-47.49	331.58	7.39	-40.10
CN(C(=O)CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019825389	0	46	-1.0	-49.88	375.02	6.02	-43.86
CN(C(=O)CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019825389	1	46	-1.0	-49.95	374.88	6.05	-43.90
CC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300019825390	0	41	-1.0	-48.18	334.01	8.85	-39.33
CC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=C(C3CC3)N=C2C(C)=C1	REAL300019825390	1	41	-1.0	-48.11	334.14	8.83	-39.28
CNS(=O)(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL300019825391	0	31	-1.0	-52.28	277.41	0.90	-51.38
CNS(=O)(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL300019825391	1	31	-1.0	-52.36	277.27	0.89	-51.47
CN(C(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825392	0	45	-1.0	-48.09	358.98	11.32	-36.77
CN(C(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825392	1	45	-1.0	-48.21	358.91	11.35	-36.86
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(Br)C=C1	REAL300019825393	0	33	-1.0	-48.42	303.78	7.80	-40.62
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(Br)C=C1	REAL300019825393	1	33	-1.0	-48.48	303.63	7.81	-40.67
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300019825394	0	29	-1.0	-48.61	272.78	7.19	-41.42
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300019825394	1	29	-1.0	-48.71	272.64	7.22	-41.49
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(S(=O)(=O)N(C)C)O1	REAL300019825395	0	34	-1.0	-48.67	303.84	1.86	-46.81
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300019825395	1	34	-1.0	-48.77	303.70	1.89	-46.88
CN(C(=O)C1=NC=CC=C1OCC(F)(F)F)C1=NN=N[N-]1	REAL300019825396	0	29	-1.0	-59.49	268.15	6.11	-53.38
CN(C(=O)C1=NC=CC=C1OCC(F)(F)F)C1=N[N-]N=N1	REAL300019825396	1	29	-1.0	-59.39	268.29	6.10	-53.29
COC1=CC(N2CC(C(=O)N(C)C3=N[N-]N=N3)CC2=O)=CC(OC)=C1	REAL300019825397	0	42	-1.0	-51.12	339.96	4.66	-46.46
COC1=CC(N2CC(C(=O)N(C)C3=NN=N[N-]3)CC2=O)=CC(OC)=C1	REAL300019825397	1	42	-1.0	-51.27	339.83	4.68	-46.59
CCC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300019825398	0	35	-1.0	-45.13	302.47	7.95	-37.18
CCC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019825398	1	35	-1.0	-45.20	302.33	7.98	-37.22
CN(C(=O)C1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019825399	0	43	-1.0	-46.83	329.43	5.36	-41.47
CN(C(=O)C1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019825399	1	43	-1.0	-46.87	329.30	5.38	-41.49
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL300019825400	0	33	-2.0	-113.32	286.94	5.54	-107.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL300019825400	1	33	-2.0	-113.27	287.08	5.50	-107.77
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C2=CC(Br)=CC=C2N=C1C1CC1	REAL300019825401	0	38	-1.0	-46.72	337.65	8.74	-37.98
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C2=CC(Br)=CC=C2N=C1C1CC1	REAL300019825401	1	38	-1.0	-46.64	337.78	8.75	-37.89
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300019825402	0	35	-1.0	-58.05	301.58	3.75	-54.30
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300019825402	1	35	-1.0	-58.12	301.45	3.77	-54.35
CC(=CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL300019825403	0	34	-1.0	-48.00	297.61	6.90	-41.10
CC(=CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL300019825403	1	34	-1.0	-48.08	297.46	6.90	-41.18
CN(C(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=N[N-]N=N1	REAL300019825404	0	34	-1.0	-46.41	315.15	8.39	-38.02
CN(C(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)C1=NN=N[N-]1	REAL300019825404	1	34	-1.0	-46.44	315.01	8.42	-38.02
CNS(=O)(=O)C1=CSC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825405	0	28	-1.0	-52.43	270.17	-0.06	-52.49
CNS(=O)(=O)C1=CSC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825405	1	28	-1.0	-52.49	270.02	-0.04	-52.53
CN(C(=O)C1=CC(S(=O)(=O)NC(C)(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL300019825406	0	40	-1.0	-50.54	342.63	3.46	-47.08
CN(C(=O)C1=CC(S(=O)(=O)NC(C)(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL300019825406	1	40	-1.0	-50.66	342.50	3.47	-47.19
CNS(=O)(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)O1	REAL300019825407	0	31	-1.0	-48.37	280.42	0.00	-48.37
CNS(=O)(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)O1	REAL300019825407	1	31	-1.0	-48.41	280.28	0.01	-48.40
CC1=C(Br)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825408	0	23	-1.0	-42.56	233.38	5.14	-37.42
CC1=C(Br)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825408	1	23	-1.0	-42.63	233.23	5.16	-37.47
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825409	0	41	-1.0	-58.59	346.92	9.01	-49.58
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825409	1	41	-1.0	-58.54	347.06	9.00	-49.54
COC1=CC=C(OC)C(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825410	0	34	-1.0	-46.08	293.48	4.60	-41.48
COC1=CC=C(OC)C(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825410	1	34	-1.0	-46.12	293.35	4.64	-41.48
CN(C(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=NN=N[N-]1	REAL300019825411	0	35	-1.0	-46.88	305.88	5.79	-41.09
CN(C(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=N[N-]N=N1	REAL300019825411	1	35	-1.0	-46.81	306.02	5.79	-41.02
CN(C(=O)C1=CC=CN2C(I)=CN=C12)C1=NN=N[N-]1	REAL300019825412	0	26	-1.0	-55.61	264.95	6.72	-48.89
CN(C(=O)C1=CC=CN2C(I)=CN=C12)C1=N[N-]N=N1	REAL300019825412	1	26	-1.0	-55.62	265.08	6.71	-48.91
CN(C(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300019825413	0	33	-1.0	-46.53	301.06	7.37	-39.16
CN(C(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300019825413	1	33	-1.0	-46.45	301.20	7.38	-39.07
CN(C(=O)C1=CC=C2C(=C1)C=CN2CCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825414	0	53	-1.0	-56.60	425.93	8.09	-48.51
CN(C(=O)C1=CC=C2C(=C1)C=CN2CCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825414	1	53	-1.0	-56.61	425.78	8.09	-48.52
CN(C(=O)C1=CC(Cl)=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300019825415	0	27	-1.0	-46.84	259.90	5.57	-41.27
CN(C(=O)C1=CC(Cl)=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300019825415	1	27	-1.0	-46.94	259.76	5.59	-41.35
COC1=CC=C(C2=CC(C(=O)N(C)C3=N[N-]N=N3)=NN2)C=C1OC	REAL300019825416	0	38	-1.0	-50.08	322.15	4.79	-45.29
COC1=CC=C(C2=CC(C(=O)N(C)C3=NN=N[N-]3)=NN2)C=C1OC	REAL300019825416	1	38	-1.0	-50.06	322.01	4.80	-45.26
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825417	0	36	-1.0	-52.30	336.21	8.24	-44.06
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825417	1	36	-1.0	-52.35	336.05	8.27	-44.08
CN(C(=O)CCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019825418	0	29	-1.0	-45.39	272.56	7.41	-37.98
CN(C(=O)CCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019825418	1	29	-1.0	-45.47	272.42	7.43	-38.04
CN(C(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=N[N-]N=N1	REAL300019825419	0	35	-1.0	-52.38	324.63	3.65	-48.73
CN(C(=O)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)C1=NN=N[N-]1	REAL300019825419	1	35	-1.0	-52.46	324.49	3.67	-48.79
COC1=CC=C(F)C=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL300019825420	0	30	-1.0	-43.53	270.41	5.38	-38.15
COC1=CC=C(F)C=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL300019825420	1	30	-1.0	-43.55	270.28	5.41	-38.14
COCCOC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825421	0	34	-1.0	-54.26	305.63	5.55	-48.71
COCCOC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825421	1	34	-1.0	-54.35	305.49	5.57	-48.78
CN(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019825422	0	48	-1.0	-50.11	369.89	4.61	-45.50
CN(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019825422	1	48	-1.0	-50.19	369.76	4.63	-45.56
CN(C(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL300019825423	0	32	-1.0	-55.29	299.84	3.52	-51.77
CN(C(=O)C1=CC=C(CS(=O)(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL300019825423	1	32	-1.0	-55.33	299.70	3.51	-51.82
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(=O)(=O)NC1CCCC1	REAL300019825424	0	44	-1.0	-56.40	359.51	4.84	-51.56
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300019825424	1	44	-1.0	-56.46	359.37	4.84	-51.62
CN(C(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=N[N-]N=N1	REAL300019825425	0	36	-1.0	-49.45	316.67	7.32	-42.13
CN(C(=O)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)C1=NN=N[N-]1	REAL300019825425	1	36	-1.0	-49.49	316.53	7.33	-42.16
CN(C(=O)C1(CC2=CC=CC=C2)CC2CCC1C2)C1=N[N-]N=N1	REAL300019825426	0	43	-1.0	-55.51	309.21	9.55	-45.96
CN(C(=O)C1(CC2=CC=CC=C2)CC2CCC1C2)C1=NN=N[N-]1	REAL300019825426	1	43	-1.0	-55.60	309.05	9.55	-46.05
CN(C(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019825427	0	34	-1.0	-48.02	307.90	8.34	-39.68
CN(C(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019825427	1	34	-1.0	-48.12	307.76	8.34	-39.78
CN(C(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL300019825428	0	35	-1.0	-52.79	319.71	9.14	-43.65
CN(C(=O)C1=CC=C(SC2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL300019825428	1	35	-1.0	-52.89	319.59	9.13	-43.76
CN(C(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=NN=N[N-]1	REAL300019825429	0	32	-1.0	-44.89	305.66	6.76	-38.13
CN(C(=O)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)C1=N[N-]N=N1	REAL300019825429	1	32	-1.0	-44.80	305.80	6.75	-38.05
CN(C(=O)C1=CC=C(I)C(Cl)=C1)C1=N[N-]N=N1	REAL300019825430	0	23	-1.0	-41.99	244.37	6.44	-35.55
CN(C(=O)C1=CC=C(I)C(Cl)=C1)C1=NN=N[N-]1	REAL300019825430	1	23	-1.0	-42.05	244.23	6.43	-35.62
CN(C(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=NN=N[N-]1	REAL300019825431	0	43	-1.0	-56.74	347.13	4.84	-51.90
CN(C(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1)C1=N[N-]N=N1	REAL300019825431	1	43	-1.0	-56.62	347.26	4.81	-51.81
CN(C(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL300019825432	0	30	-1.0	-49.14	278.66	8.70	-40.44
CN(C(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL300019825432	1	30	-1.0	-49.07	278.81	8.69	-40.38
CN(C(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=N[N-]N=N1	REAL300019825433	0	35	-1.0	-51.54	299.17	1.98	-49.56
CN(C(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=NN=N[N-]1	REAL300019825433	1	35	-1.0	-51.61	299.03	1.97	-49.64
CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N(C)C1=N[N-]N=N1	REAL300019825434	0	57	-1.0	-40.22	445.67	5.14	-35.08
CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N(C)C1=NN=N[N-]1	REAL300019825434	1	57	-1.0	-40.30	445.55	5.17	-35.13
COC1=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=C(C=O)C=C1	REAL300019825435	0	32	-1.0	-45.90	286.11	4.86	-41.04
COC1=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=C(C=O)C=C1	REAL300019825435	1	32	-1.0	-45.84	286.25	4.84	-41.00
CN(C(=O)C1=CC(=O)NC2=C(Br)C=CC=C12)C1=NN=N[N-]1	REAL300019825436	0	29	-1.0	-43.57	278.58	4.82	-38.75
CN(C(=O)C1=CC(=O)NC2=C(Br)C=CC=C12)C1=N[N-]N=N1	REAL300019825436	1	29	-1.0	-43.53	278.73	4.82	-38.71
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)N(C)C1=NN=N[N-]1	REAL300019825437	0	35	-1.0	-47.98	317.43	7.63	-40.35
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)N(C)C1=N[N-]N=N1	REAL300019825437	1	35	-1.0	-47.91	317.56	7.60	-40.31
COC(=O)COC1=C(C)C=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C	REAL300019825438	0	39	-1.0	-50.31	330.70	7.30	-43.01
COC(=O)COC1=C(C)C=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C	REAL300019825438	1	39	-1.0	-50.39	330.56	7.30	-43.09
CC1=CC=C(SC2(C(=O)N(C)C3=N[N-]N=N3)CCCC2)C=C1	REAL300019825439	0	40	-1.0	-47.00	314.84	8.78	-38.22
CC1=CC=C(SC2(C(=O)N(C)C3=NN=N[N-]3)CCCC2)C=C1	REAL300019825439	1	40	-1.0	-47.05	314.71	8.80	-38.25
CN(C(=O)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300019825440	0	35	-1.0	-46.29	308.45	7.86	-38.43
CN(C(=O)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300019825440	1	35	-1.0	-46.18	308.60	7.87	-38.31
CN(C(=O)CCSC1=CC=NC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019825441	0	35	-1.0	-47.12	324.73	8.03	-39.09
CN(C(=O)CCSC1=CC=NC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019825441	1	35	-1.0	-46.99	324.87	7.99	-39.00
CN(C(=O)CC1=CC=CC(I)=C1)C1=N[N-]N=N1	REAL300019825442	0	26	-1.0	-47.16	257.65	7.06	-40.10
CN(C(=O)CC1=CC=CC(I)=C1)C1=NN=N[N-]1	REAL300019825442	1	26	-1.0	-47.30	257.51	7.09	-40.21
CN(C(=O)C1=CC(F)=CC([N+](=O)[O-])=C1Br)C1=N[N-]N=N1	REAL300019825443	0	25	-1.0	-43.68	247.57	6.08	-37.60
CN(C(=O)C1=CC(F)=CC([N+](=O)[O-])=C1Br)C1=NN=N[N-]1	REAL300019825443	1	25	-1.0	-43.74	247.43	6.07	-37.67
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825444	0	39	-1.0	-47.52	347.51	8.22	-39.30
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825444	1	39	-1.0	-47.57	347.37	8.24	-39.33
CN(C(=O)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2)C1=N[N-]N=N1	REAL300019825445	0	40	-1.0	-28.91	289.08	7.41	-21.50
CN(C(=O)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2)C1=NN=N[N-]1	REAL300019825445	1	40	-1.0	-28.92	288.95	7.43	-21.49
COC1=CC=C(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL300019825446	0	35	-1.0	-47.23	307.07	5.99	-41.24
COC1=CC=C(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL300019825446	1	35	-1.0	-47.32	306.94	6.03	-41.29
CC1=CC(CCC(=O)N(C)C2=N[N-]N=N2)=CC=C1Br	REAL300019825447	0	32	-1.0	-45.50	290.77	7.97	-37.53
CC1=CC(CCC(=O)N(C)C2=NN=N[N-]2)=CC=C1Br	REAL300019825447	1	32	-1.0	-45.60	290.63	7.99	-37.61
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825448	0	47	-1.0	-49.52	400.96	3.46	-46.06
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825448	1	47	-1.0	-49.61	400.82	3.48	-46.13
CN(C(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300019825449	0	31	-1.0	-57.39	287.04	0.38	-57.01
CN(C(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300019825449	1	31	-1.0	-57.50	286.89	0.41	-57.09
CN(C)C1=CC=C(C2=CN=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL300019825450	0	40	-1.0	-47.31	322.73	6.93	-40.38
CN(C)C1=CC=C(C2=CN=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL300019825450	1	40	-1.0	-47.20	322.85	6.93	-40.27
CN(C(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825451	0	43	-1.0	-54.42	366.25	6.26	-48.16
CN(C(=O)CCCCNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825451	1	43	-1.0	-54.48	366.12	6.29	-48.19
CC(C)CN(CC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019825452	0	45	-1.0	-51.54	353.22	7.28	-44.26
CC(C)CN(CC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019825452	1	45	-1.0	-51.62	353.09	7.31	-44.31
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825453	0	40	-1.0	-44.60	342.84	6.71	-37.89
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825453	1	40	-1.0	-44.70	342.70	6.73	-37.97
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825454	0	35	-1.0	-50.05	318.15	2.41	-47.64
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825454	1	35	-1.0	-50.10	318.01	2.44	-47.66
CC(CC(=O)N(C)C1=N[N-]N=N1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300019825455	0	52	-1.0	-51.12	387.59	8.03	-43.09
CC(CC(=O)N(C)C1=NN=N[N-]1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300019825455	1	52	-1.0	-51.19	387.45	8.05	-43.14
CN(C(=O)C1=CC=C(F)C(I)=C1)C1=N[N-]N=N1	REAL300019825456	0	23	-1.0	-42.14	235.53	6.04	-36.10
CN(C(=O)C1=CC=C(F)C(I)=C1)C1=NN=N[N-]1	REAL300019825456	1	23	-1.0	-42.22	235.39	6.04	-36.18
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825457	0	32	-1.0	-45.25	288.72	7.62	-37.63
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825457	1	32	-1.0	-45.31	288.58	7.65	-37.66
CN(C(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=NN=N[N-]1	REAL300019825458	0	31	-1.0	-54.46	285.83	0.93	-53.53
CN(C(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=N[N-]N=N1	REAL300019825458	1	31	-1.0	-54.39	285.97	0.90	-53.49
CC1=CC=C(N2N=C(Br)CC2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825459	0	35	-1.0	-49.37	311.30	6.87	-42.50
CC1=CC=C(N2N=C(Br)CC2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825459	1	35	-1.0	-49.46	311.16	6.89	-42.57
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL300019825460	0	28	-1.0	-47.96	276.29	7.15	-40.81
CN(C(=O)CC1=CC=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL300019825460	1	28	-1.0	-48.02	276.16	7.18	-40.84
CN(C(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019825461	0	32	-1.0	-45.97	290.82	6.49	-39.48
CN(C(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019825461	1	32	-1.0	-46.02	290.67	6.50	-39.52
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL300019825462	0	33	-1.0	-47.18	296.77	8.19	-38.99
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL300019825462	1	33	-1.0	-47.04	296.91	8.18	-38.86
CN(C(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL300019825463	0	37	-1.0	-48.73	329.96	8.93	-39.80
CN(C(=O)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL300019825463	1	37	-1.0	-48.67	330.11	8.91	-39.76
CN(C(=O)C1=C(F)C=C(Br)C=C1F)C1=N[N-]N=N1	REAL300019825464	0	23	-1.0	-46.71	243.00	5.83	-40.88
CN(C(=O)C1=C(F)C=C(Br)C=C1F)C1=NN=N[N-]1	REAL300019825464	1	23	-1.0	-46.80	242.86	5.85	-40.95
CN(C(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=N[N-]N=N1	REAL300019825465	0	33	-1.0	-51.24	300.31	5.12	-46.12
CN(C(=O)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)C1=NN=N[N-]1	REAL300019825465	1	33	-1.0	-51.31	300.16	5.11	-46.20
CC(CS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825466	0	35	-1.0	-48.02	321.22	4.88	-43.14
CC(CS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825466	1	35	-1.0	-48.11	321.09	4.91	-43.20
CN(C(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300019825467	0	29	-1.0	-50.64	289.66	3.36	-47.28
CN(C(=O)C1=CC(S(C)(=O)=O)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300019825467	1	29	-1.0	-50.80	289.52	3.36	-47.44
CN(C(=O)C1=CNN=C1C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019825468	0	30	-1.0	-52.54	272.30	5.50	-47.04
CN(C(=O)C1=C(C2=CC=CC(Cl)=C2)NN=C1)C1=NN=N[N-]1	REAL300019825468	1	30	-1.0	-44.35	273.08	5.39	-38.96
CN(C(=O)C1=C(C2=CC=CC(Cl)=C2)NN=C1)C1=N[N-]N=N1	REAL300019825468	1	30	-1.0	-44.26	273.21	5.38	-38.88
CN(C(=O)C1=CNN=C1C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019825468	1	30	-1.0	-52.42	272.44	5.49	-46.93
CN(C(=O)C1=CNN=C1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019825469	0	30	-1.0	-50.05	275.52	5.70	-44.35
CN(C(=O)C1=CNN=C1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019825469	1	30	-1.0	-49.97	275.65	5.67	-44.30
CN(C(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL300019825470	0	28	-1.0	-44.27	293.66	6.82	-37.45
CN(C(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL300019825470	1	28	-1.0	-44.36	293.52	6.84	-37.52
CN(C(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300019825471	0	34	-1.0	-47.39	305.20	7.95	-39.44
CN(C(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300019825471	1	34	-1.0	-47.44	305.06	7.98	-39.46
CN(C(=O)CCCC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300019825472	0	35	-1.0	-51.07	309.11	8.91	-42.16
CN(C(=O)CCCC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300019825472	1	35	-1.0	-51.15	308.98	8.94	-42.21
CN(C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=NN=N[N-]1	REAL300019825473	0	33	-1.0	-43.40	296.65	6.83	-36.57
CN(C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=N[N-]N=N1	REAL300019825473	1	33	-1.0	-43.32	296.79	6.82	-36.50
CN(C(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL300019825474	0	29	-1.0	-48.35	295.16	7.66	-40.69
CN(C(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL300019825474	1	29	-1.0	-48.41	295.02	7.69	-40.72
CN(C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825475	0	41	-1.0	-59.54	344.86	7.51	-52.03
CN(C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825475	1	41	-1.0	-59.59	344.72	7.54	-52.05
CC1=CC(I)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL300019825476	0	29	-1.0	-44.69	267.37	7.18	-37.51
CC1=CC(I)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL300019825476	1	29	-1.0	-44.80	267.22	7.19	-37.61
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=NN=N[N-]3)=N2)C=C1	REAL300019825477	0	39	-2.0	-116.93	330.60	6.75	-110.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=N2)C=C1	REAL300019825477	1	39	-2.0	-116.86	330.74	6.72	-110.14
CN(C(=O)C1=CN(CCOC2=CC=C(C=O)C=C2Cl)N=N1)C1=NN=N[N-]1	REAL300019825478	0	38	-1.0	-51.40	353.85	5.70	-45.70
CN(C(=O)C1=CN(CCOC2=CC=C(C=O)C=C2Cl)N=N1)C1=N[N-]N=N1	REAL300019825478	1	38	-1.0	-51.28	354.00	5.68	-45.60
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1I	REAL300019825479	0	27	-1.0	-45.33	258.34	5.35	-39.98
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1I	REAL300019825479	1	27	-1.0	-45.38	258.20	5.37	-40.01
CC1=CC=C(I)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825480	0	26	-1.0	-44.56	249.79	6.69	-37.87
CC1=CC=C(I)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825480	1	26	-1.0	-44.61	249.66	6.70	-37.91
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825481	0	34	-1.0	-35.41	300.15	0.02	-35.39
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825481	1	34	-1.0	-35.36	300.27	0.00	-35.36
COC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019825482	0	34	-1.0	-47.29	309.20	4.16	-43.13
COC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019825482	1	34	-1.0	-46.60	309.18	4.14	-42.46
CN(C(=O)C1=CC=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL300019825483	0	23	-1.0	-42.12	238.32	5.98	-36.14
CN(C(=O)C1=CC=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL300019825483	1	23	-1.0	-42.19	238.18	5.97	-36.22
COC1=C(S(N)(=O)=O)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825484	0	29	-1.0	-49.81	277.63	-1.84	-51.65
COC1=C(S(N)(=O)=O)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825484	1	29	-1.0	-49.83	277.48	-1.82	-51.65
CCCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019825485	0	54	-1.0	-35.50	417.86	4.93	-30.57
CCCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019825485	1	54	-1.0	-35.59	417.72	4.95	-30.64
CC1=CC=C(N2N=C(Br)C=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825486	0	33	-1.0	-43.77	300.04	7.17	-36.60
CC1=CC=C(N2N=C(Br)C=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825486	1	33	-1.0	-43.65	300.19	7.15	-36.50
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)OC2=CC=C(Br)C=C21	REAL300019825487	0	31	-1.0	-53.86	293.94	7.56	-46.30
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)OC2=CC=C(Br)C=C21	REAL300019825487	1	31	-1.0	-53.93	293.80	7.59	-46.34
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825488	0	35	-1.0	-48.29	306.33	4.32	-43.97
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825488	1	35	-1.0	-48.42	306.20	4.36	-44.06
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)N(C)C1=NN=N[N-]1)S2	REAL300019825489	0	39	-1.0	-47.35	333.18	8.77	-38.58
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)N(C)C1=N[N-]N=N1)S2	REAL300019825489	1	39	-1.0	-47.28	333.33	8.77	-38.51
CN(C(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019825490	0	33	-1.0	-46.94	294.37	4.77	-42.17
CN(C(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019825490	1	33	-1.0	-46.99	294.24	4.80	-42.19
CN(C(=O)C1=CN(C2CC2)C2=CC(Cl)=C(F)C=C2C1=O)C1=NN=N[N-]1	REAL300019825491	0	36	-1.0	-55.39	323.29	8.28	-47.11
CN(C(=O)C1=CN(C2CC2)C2=CC(Cl)=C(F)C=C2C1=O)C1=N[N-]N=N1	REAL300019825491	1	36	-1.0	-55.31	323.45	8.28	-47.03
CN(C(=O)CCC(=O)N1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019825492	0	44	-1.0	-48.40	354.81	5.67	-42.73
CN(C(=O)CCC(=O)N1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019825492	1	44	-1.0	-48.44	354.68	5.71	-42.73
CN(C(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019825493	0	45	-1.0	-46.19	357.11	6.24	-39.95
CN(C(=O)CCC(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019825493	1	45	-1.0	-46.34	356.98	6.26	-40.08
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1)C1=NN=N[N-]1	REAL300019825494	0	33	-2.0	-89.16	320.04	3.05	-86.11
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1)C1=N[N-]N=N1	REAL300019825494	1	33	-2.0	-89.05	320.18	3.07	-85.98
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825495	0	38	-1.0	-55.70	331.84	-1.20	-56.90
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825495	1	38	-1.0	-55.77	331.70	-1.17	-56.94
CN(C(=O)CCC(=O)N1CCN(C2=NC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019825496	0	43	-1.0	-49.91	350.97	5.91	-44.00
CN(C(=O)CCC(=O)N1CCN(C2=NC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019825496	1	43	-1.0	-49.82	351.11	5.88	-43.94
COC1=CC2=C(C=C1OC)CN(C(=O)CCC(=O)N(C)C1=N[N-]N=N1)CC2	REAL300019825497	0	48	-1.0	-49.75	386.01	6.64	-43.11
COC1=CC2=C(C=C1OC)CN(C(=O)CCC(=O)N(C)C1=NN=N[N-]1)CC2	REAL300019825497	1	48	-1.0	-49.79	385.87	6.66	-43.13
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL300019825498	0	34	-1.0	-51.60	297.63	2.00	-49.60
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL300019825498	1	34	-1.0	-51.66	297.49	2.03	-49.63
CN(C(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019825499	0	25	-1.0	-43.60	252.62	6.22	-37.38
CN(C(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019825499	1	25	-1.0	-43.68	252.48	6.20	-37.48
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825500	0	49	0.0	-78.13	399.07	4.70	-73.43
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825500	1	49	0.0	-78.25	398.93	4.72	-73.53
COC1=CC=C(C2=CN=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1	REAL300019825501	0	36	-1.0	-47.02	301.60	5.88	-41.14
COC1=CC=C(C2=CN=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1	REAL300019825501	1	36	-1.0	-46.88	301.73	5.86	-41.02
CN(C(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825502	0	33	-1.0	-50.76	300.80	6.65	-44.11
CN(C(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825502	1	33	-1.0	-50.82	300.66	6.69	-44.13
CN(C(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825503	0	26	-1.0	-41.78	258.55	6.43	-35.35
CN(C(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825503	1	26	-1.0	-41.85	258.41	6.43	-35.42
CC1=CC=CC(I)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825504	0	26	-1.0	-48.12	254.88	6.62	-41.50
CC1=CC=CC(I)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825504	1	26	-1.0	-48.21	254.74	6.62	-41.59
CN(C(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019825505	0	32	-1.0	-45.88	288.87	7.10	-38.78
CN(C(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019825505	1	32	-1.0	-45.81	289.01	7.09	-38.72
CCC(CC1=CC=CC=C1Br)C(=O)N(C)C1=N[N-]N=N1	REAL300019825506	0	35	-1.0	-47.85	299.00	8.12	-39.73
CCC(CC1=CC=CC=C1Br)C(=O)N(C)C1=NN=N[N-]1	REAL300019825506	1	35	-1.0	-47.96	298.87	8.15	-39.81
CN(C(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=NN=N[N-]1	REAL300019825507	0	37	-1.0	-47.96	308.07	6.44	-41.52
CN(C(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=N[N-]N=N1	REAL300019825507	1	37	-1.0	-47.93	308.20	6.42	-41.51
COC1=CC=C(Br)C(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825508	0	30	-1.0	-48.15	277.03	5.73	-42.42
COC1=CC=C(Br)C(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825508	1	30	-1.0	-48.22	276.90	5.76	-42.46
CC1=CC2=C(N3CCCC3C(=O)N(C)C3=NN=N[N-]3)N=CN=C2S1	REAL300019825509	0	39	-1.0	-55.40	328.71	6.85	-48.55
CC1=CC2=C(N3CCCC3C(=O)N(C)C3=N[N-]N=N3)N=CN=C2S1	REAL300019825509	1	39	-1.0	-55.30	328.85	6.84	-48.46
COC1=CC=C(C(=O)NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)S2)C=C1	REAL300019825510	0	38	-1.0	-53.20	332.75	5.24	-47.96
COC1=CC=C(C(=O)NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)S2)C=C1	REAL300019825510	1	38	-1.0	-53.32	332.59	5.25	-48.07
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300019825511	0	33	-1.0	-48.25	299.70	7.49	-40.76
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300019825511	1	33	-1.0	-48.21	299.86	7.50	-40.71
CN(C(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=NN=N[N-]1	REAL300019825512	0	42	-1.0	-47.18	339.35	10.02	-37.16
CN(C(=O)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)C1=N[N-]N=N1	REAL300019825512	1	42	-1.0	-47.14	339.50	9.99	-37.15
CN(C(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825513	0	30	-1.0	-53.24	272.28	5.58	-47.66
CN(C(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825513	1	30	-1.0	-53.32	272.14	5.58	-47.74
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=N[N-]N=N1	REAL300019825514	0	26	-1.0	-44.97	262.72	6.52	-38.45
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1Br)C1=NN=N[N-]1	REAL300019825514	1	26	-1.0	-45.06	262.61	6.53	-38.53
CN(C(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300019825515	0	37	-1.0	-58.26	324.74	6.27	-51.99
CN(C(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300019825515	1	37	-1.0	-58.34	324.61	6.30	-52.04
CN(C(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL300019825516	0	34	-1.0	-54.57	295.65	7.08	-47.49
CN(C(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL300019825516	1	34	-1.0	-54.62	295.50	7.08	-47.54
CC1=NC(NCC(=O)N(C)C2=N[N-]N=N2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300019825517	0	42	-1.0	-46.60	369.16	8.34	-38.26
CC1=NC(NCC(=O)N(C)C2=NN=N[N-]2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300019825517	1	42	-1.0	-46.62	369.03	8.37	-38.25
COC1=CC=C(C(C)(C)C(=O)N(C)C2=N[N-]N=N2)C=C1OC	REAL300019825518	0	40	-1.0	-49.70	311.45	5.84	-43.86
COC1=CC=C(C(C)(C)C(=O)N(C)C2=NN=N[N-]2)C=C1OC	REAL300019825518	1	40	-1.0	-49.78	311.31	5.84	-43.94
CN(C(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=NN=N[N-]1	REAL300019825519	0	35	-1.0	-53.93	299.08	1.96	-51.97
CN(C(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=N[N-]N=N1	REAL300019825519	1	35	-1.0	-53.85	299.22	1.97	-51.88
CN(C(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=N[N-]N=N1	REAL300019825520	0	44	-1.0	-54.24	339.75	5.45	-48.79
CN(C(=O)CN1C(=O)NC2(CCCC(C)(C)C2)C1=O)C1=NN=N[N-]1	REAL300019825520	1	44	-1.0	-54.28	339.61	5.47	-48.81
CN(C(=O)C1=C(F)C=CC(OC(F)F)=C1F)C1=N[N-]N=N1	REAL300019825521	0	27	-1.0	-51.41	260.79	4.79	-46.62
CN(C(=O)C1=C(F)C=CC(OC(F)F)=C1F)C1=NN=N[N-]1	REAL300019825521	1	27	-1.0	-51.45	260.65	4.81	-46.64
CN(C(=O)C1=C(C(F)F)N(CCO)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019825522	0	33	-1.0	-51.87	317.11	2.07	-49.80
CN(C(=O)C1=C(C(F)F)N(CCO)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019825522	1	33	-1.0	-51.94	316.94	2.08	-49.86
CN(C(=O)COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=NN=N[N-]1	REAL300019825523	0	34	-1.0	-57.59	304.61	6.88	-50.71
CN(C(=O)COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=N[N-]N=N1	REAL300019825523	1	34	-1.0	-57.49	304.75	6.85	-50.64
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL300019825524	0	39	-2.0	-94.72	344.95	4.03	-90.69
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL300019825524	1	39	-2.0	-94.78	344.81	4.07	-90.71
CC(C)CC1=NN=C(NC(=O)CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL300019825524	1	40	-1.0	-52.04	348.20	5.17	-46.87
CN(C(=O)C1=CC(I)=CC=C1F)C1=N[N-]N=N1	REAL300019825525	0	23	-1.0	-47.66	233.98	6.05	-41.61
CN(C(=O)C1=CC(I)=CC=C1F)C1=NN=N[N-]1	REAL300019825525	1	23	-1.0	-47.74	233.84	6.05	-41.69
CN(C(=O)C1(C2=C(Cl)C=CC=C2Cl)CC1)C1=N[N-]N=N1	REAL300019825526	0	30	-1.0	-47.62	273.20	7.36	-40.26
CN(C(=O)C1(C2=C(Cl)C=CC=C2Cl)CC1)C1=NN=N[N-]1	REAL300019825526	1	30	-1.0	-47.71	273.07	7.38	-40.33
CN(C(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=NN=N[N-]1	REAL300019825527	0	32	-1.0	-48.64	291.08	5.85	-42.79
CN(C(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=N[N-]N=N1	REAL300019825527	1	32	-1.0	-48.58	291.23	5.83	-42.75
CN(C(=O)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019825528	0	34	-1.0	-47.95	325.70	9.39	-38.56
CN(C(=O)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019825528	1	34	-1.0	-48.03	325.55	9.41	-38.62
CN(C(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=N[N-]N=N1	REAL300019825529	0	36	-1.0	-49.34	330.45	9.66	-39.68
CN(C(=O)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NN=N[N-]1	REAL300019825529	1	36	-1.0	-49.48	330.31	9.65	-39.83
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(SC2=CC=CC=C2)=N1	REAL300019825530	0	36	-1.0	-52.72	320.92	8.10	-44.62
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(SC2=CC=CC=C2)=N1	REAL300019825530	1	36	-1.0	-52.67	321.06	8.09	-44.58
CN(C(=O)[C@H](CC(N)=O)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825531	0	41	-1.0	-57.22	352.64	1.84	-55.38
CN(C(=O)[C@H](CC(N)=O)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825531	1	41	-1.0	-57.30	352.51	1.87	-55.43
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825532	0	42	-1.0	-46.22	346.53	7.89	-38.33
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825532	1	42	-1.0	-46.14	346.67	7.87	-38.27
CN(C(=O)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1)C1=NN=N[N-]1	REAL300019825533	0	33	-1.0	-48.33	310.03	7.71	-40.62
CN(C(=O)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1)C1=N[N-]N=N1	REAL300019825533	1	33	-1.0	-48.26	310.17	7.70	-40.56
CN(C(=O)C1=CNC2=CC=C(I)C=C2C1=O)C1=N[N-]N=N1	REAL300019825534	0	29	-1.0	-61.57	288.53	6.07	-55.50
CN(C(=O)C1=CNC2=CC=C(I)C=C2C1=O)C1=NN=N[N-]1	REAL300019825534	1	29	-1.0	-61.73	288.41	6.09	-55.64
CN(C(=O)C1=C(NC(=O)OC(C)(C)C)SN=N1)C1=N[N-]N=N1	REAL300019825535	0	35	-1.0	-40.13	303.48	2.62	-37.51
CN(C(=O)C1=C(NC(=O)OC(C)(C)C)SN=N1)C1=NN=N[N-]1	REAL300019825535	1	35	-1.0	-40.17	303.34	2.65	-37.52
CN(C(=O)C1=CC=CC=C1COC1CCOCC1)C1=N[N-]N=N1	REAL300019825536	0	41	-1.0	-47.50	329.67	6.08	-41.42
CN(C(=O)C1=CC=CC=C1COC1CCOCC1)C1=NN=N[N-]1	REAL300019825536	1	41	-1.0	-47.52	329.53	6.10	-41.42
CCN1N=C(C(F)(F)F)C(C(=O)N(C)C2=N[N-]N=N2)=C1C(F)F	REAL300019825537	0	32	-1.0	-53.33	304.44	5.31	-48.02
CCN1N=C(C(F)(F)F)C(C(=O)N(C)C2=NN=N[N-]2)=C1C(F)F	REAL300019825537	1	32	-1.0	-53.40	304.29	5.33	-48.07
CN(C(=O)C1=CNN=C1C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019825538	0	30	-1.0	-55.60	273.85	4.92	-50.68
CN(C(=O)C1=CNN=C1C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019825538	1	30	-1.0	-55.46	274.00	4.90	-50.56
CN(C(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825539	0	37	-1.0	-47.97	304.84	6.36	-41.61
CN(C(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825539	1	37	-1.0	-47.86	304.98	6.35	-41.51
CN(C(=O)C(C)(O)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825540	0	33	-1.0	-42.93	286.99	4.51	-38.42
CN(C(=O)C(C)(O)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825540	1	33	-1.0	-43.01	286.86	4.52	-38.49
CN(C(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825541	0	43	0.0	-59.55	323.71	5.67	-53.88
CN(C(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825541	1	43	0.0	-62.45	328.40	5.95	-56.50
CN(C(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825541	1	43	0.0	-59.45	323.84	5.65	-53.80
CN(C(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825541	1	43	0.0	-62.39	328.54	5.91	-56.48
CN(C(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=NN=N[N-]1	REAL300019825542	0	33	-1.0	-60.27	302.74	7.10	-53.17
CN(C(=O)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)C1=N[N-]N=N1	REAL300019825542	1	33	-1.0	-60.19	302.88	7.11	-53.08
CN(C(=O)CCCC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019825543	0	32	-1.0	-49.43	294.05	8.17	-41.26
CN(C(=O)CCCC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019825543	1	32	-1.0	-49.49	293.91	8.20	-41.29
CN(C(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019825544	0	32	-1.0	-45.89	294.26	-1.43	-47.32
CN(C(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019825544	1	32	-1.0	-45.96	294.14	-1.43	-47.39
CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1=N[N-]N=N1	REAL300019825545	0	45	-1.0	-42.82	334.91	5.01	-37.81
CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1=NN=N[N-]1	REAL300019825545	1	45	-1.0	-42.82	334.78	5.03	-37.79
CN(C(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825546	0	43	-1.0	-55.59	355.06	8.34	-47.25
CN(C(=O)CN(C(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825546	1	43	-1.0	-55.67	354.93	8.37	-47.30
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019825547	0	45	-1.0	-42.56	337.55	4.36	-38.20
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019825547	1	45	-1.0	-42.62	337.41	4.38	-38.24
CN(C(=O)C1C2=CC=CC=C2CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825548	0	47	-1.0	-49.40	364.62	8.27	-41.13
CN(C(=O)C1C2=CC=CC=C2CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825548	1	47	-1.0	-49.44	364.49	8.27	-41.17
CN(C(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019825549	0	47	-1.0	-51.91	369.39	6.64	-45.27
CN(C(=O)COC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019825549	1	47	-1.0	-52.03	369.25	6.66	-45.37
CN(C(=O)CSC1=NC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019825550	0	32	-1.0	-48.86	289.64	7.13	-41.73
CN(C(=O)CSC1=NC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019825550	1	32	-1.0	-48.80	289.78	7.11	-41.69
CC1=CC=C(C2=NC(SCC(=O)N(C)C3=N[N-]N=N3)=NN2)C=C1	REAL300019825551	0	36	-1.0	-50.14	327.84	7.19	-42.95
CC1=CC=C(C2=NC(SCC(=O)N(C)C3=NN=N[N-]3)=NN2)C=C1	REAL300019825551	1	36	-1.0	-50.16	327.70	7.21	-42.95
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL300019825552	0	36	-2.0	-94.47	327.25	3.39	-91.08
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL300019825552	1	36	-2.0	-94.53	327.11	3.42	-91.11
CC(C)C1=NN=C(NC(=O)CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL300019825552	1	37	-1.0	-52.17	330.54	4.52	-47.65
CN(C(=O)CSC1=NC2=CC=CC=C2N=C1N1CCCC1)C1=NN=N[N-]1	REAL300019825553	0	43	-1.0	-49.04	360.27	6.78	-42.26
CN(C(=O)CSC1=NC2=CC=CC=C2N=C1N1CCCC1)C1=N[N-]N=N1	REAL300019825553	1	43	-1.0	-48.96	360.41	6.76	-42.20
CN(C(=O)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1)C1=N[N-]N=N1	REAL300019825554	0	33	-1.0	-46.62	328.91	7.54	-39.08
CN(C(=O)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1)C1=NN=N[N-]1	REAL300019825554	1	33	-1.0	-46.70	328.77	7.56	-39.14
CN(C(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019825555	0	41	-1.0	-46.19	329.32	6.96	-39.23
CN(C(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019825555	1	41	-1.0	-46.25	329.18	6.98	-39.27
CC1=CC=C(N2C=C(C(=O)N(C)C3=NN=N[N-]3)C(C(C)(C)C)=N2)C=C1	REAL300019825556	0	45	-1.0	-47.02	357.38	9.10	-37.92
CC1=CC=C(N2C=C(C(=O)N(C)C3=N[N-]N=N3)C(C(C)(C)C)=N2)C=C1	REAL300019825556	1	45	-1.0	-46.95	357.53	9.08	-37.87
CN(C(=O)C1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C1=NN=N[N-]1	REAL300019825557	0	42	-1.0	-46.78	336.02	8.45	-38.33
CN(C(=O)C1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C1=N[N-]N=N1	REAL300019825557	1	42	-1.0	-46.70	336.17	8.44	-38.26
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(Br)S1	REAL300019825558	0	23	-1.0	-47.14	235.29	5.41	-41.73
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(Br)S1	REAL300019825558	1	23	-1.0	-47.21	235.15	5.42	-41.79
CSC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300019825559	0	27	-1.0	-43.41	269.47	6.86	-36.55
CSC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300019825559	1	27	-1.0	-43.44	269.33	6.86	-36.58
CC(=O)NC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019825560	0	33	-1.0	-47.19	297.37	4.80	-42.39
CC(=O)NC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019825560	1	33	-1.0	-47.26	297.22	4.81	-42.45
CC1=C(I)C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825561	0	26	-1.0	-45.73	246.26	6.53	-39.20
CC1=C(I)C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825561	1	26	-1.0	-45.82	246.12	6.54	-39.28
CC1=CC=C(OCCCC(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL300019825562	0	36	-1.0	-53.21	318.67	7.60	-45.61
CC1=CC=C(OCCCC(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL300019825562	1	36	-1.0	-53.29	318.53	7.62	-45.67
CN(C(=O)CCCC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019825563	0	32	-1.0	-49.58	288.95	8.00	-41.58
CN(C(=O)CCCC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019825563	1	32	-1.0	-49.66	288.81	8.02	-41.64
CC(CC(=O)N(C)C1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300019825564	0	52	-1.0	-52.40	387.20	8.03	-44.37
CC(CC(=O)N(C)C1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300019825564	1	52	-1.0	-52.46	387.07	8.04	-44.42
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825565	0	35	-1.0	-35.49	316.87	2.55	-32.94
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825565	1	35	-1.0	-35.41	316.13	2.58	-32.83
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825566	0	38	-1.0	-49.03	331.33	8.84	-40.19
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825566	1	38	-1.0	-49.14	331.19	8.84	-40.30
CN(C(=O)C1=CC(F)=C(F)C=C1I)C1=N[N-]N=N1	REAL300019825567	0	23	-1.0	-40.08	236.34	6.09	-33.99
CN(C(=O)C1=CC(F)=C(F)C=C1I)C1=NN=N[N-]1	REAL300019825567	1	23	-1.0	-40.15	236.20	6.07	-34.08
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(I)=C1	REAL300019825568	0	27	-1.0	-45.92	258.61	5.27	-40.65
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(I)=C1	REAL300019825568	1	27	-1.0	-45.95	258.47	5.29	-40.66
CN(C(=O)C1=CC=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL300019825569	0	23	-1.0	-44.95	240.04	6.04	-38.91
CN(C(=O)C1=CC=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL300019825569	1	23	-1.0	-45.02	239.90	6.05	-38.97
CN(C(=O)C1=CC(I)=CC=C1Cl)C1=N[N-]N=N1	REAL300019825570	0	23	-1.0	-45.00	242.10	6.49	-38.51
CN(C(=O)C1=CC(I)=CC=C1Cl)C1=NN=N[N-]1	REAL300019825570	1	23	-1.0	-45.07	241.97	6.49	-38.58
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL300019825571	0	46	-1.0	-48.63	346.59	4.85	-43.78
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL300019825571	1	46	-1.0	-48.77	346.45	4.87	-43.90
CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019825572	0	36	-1.0	-55.93	300.38	-0.18	-56.11
CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019825572	1	36	-1.0	-55.96	300.25	-0.16	-56.12
CN(C(=O)C1=CN(CCOC2=CC=CC=C2Cl)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300019825573	0	44	-1.0	-55.49	386.47	10.72	-44.77
CN(C(=O)C1=CN(CCOC2=CC=CC=C2Cl)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300019825573	1	44	-1.0	-55.54	386.32	10.74	-44.80
CN(C(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL300019825574	0	35	-1.0	-54.96	304.37	8.79	-46.17
CN(C(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL300019825574	1	35	-1.0	-54.95	304.24	8.82	-46.13
CN(C(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019825575	0	38	-1.0	-53.50	312.81	7.62	-45.88
CN(C(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019825575	1	38	-1.0	-53.61	312.67	7.62	-45.99
CC1CCCC(OCCCCCC(=O)N(C)C2=N[N-]N=N2)C1	REAL300019825576	0	48	-1.0	-49.39	370.54	8.78	-40.61
CC1CCCC(OCCCCCC(=O)N(C)C2=NN=N[N-]2)C1	REAL300019825576	1	48	-1.0	-49.48	370.40	8.81	-40.67
CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825577	0	40	-1.0	-45.81	333.21	0.55	-45.26
CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825577	1	40	-1.0	-45.94	333.07	0.58	-45.36
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825578	0	40	-1.0	-52.88	325.54	2.84	-50.04
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825578	1	40	-1.0	-52.94	325.40	2.84	-50.10
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825579	0	33	-1.0	-53.59	288.30	7.84	-45.75
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825579	1	33	-1.0	-53.58	288.52	7.81	-45.77
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)N=C1I	REAL300019825580	0	26	-1.0	-46.40	255.77	4.54	-41.86
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)N=C1I	REAL300019825580	1	26	-1.0	-46.36	255.91	4.52	-41.84
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1)C1=NN=N[N-]1	REAL300019825581	0	33	-1.0	-50.65	315.75	7.95	-42.70
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1)C1=N[N-]N=N1	REAL300019825581	1	33	-1.0	-50.56	315.92	7.93	-42.63
CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019825582	0	49	-1.0	-52.88	374.75	7.62	-45.26
CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019825582	1	49	-1.0	-52.95	374.61	7.65	-45.30
CN(C(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=N[N-]N=N1	REAL300019825583	0	45	-1.0	-53.59	360.60	9.71	-43.88
CN(C(=O)CN1C2=CC=CC=C2N=C1C1CCCCC1)C1=NN=N[N-]1	REAL300019825583	1	45	-1.0	-53.67	360.46	9.73	-43.94
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SCCO)C1=NN=N[N-]1	REAL300019825584	0	33	-1.0	-47.52	303.48	4.11	-43.41
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SCCO)C1=N[N-]N=N1	REAL300019825584	1	33	-1.0	-47.42	303.61	4.10	-43.32
CN(C(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019825585	0	27	-1.0	-44.42	261.71	4.56	-39.86
CN(C(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019825585	1	27	-1.0	-44.48	261.57	4.58	-39.90
CN(C(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019825586	0	38	-1.0	-51.18	321.59	6.56	-44.62
CN(C(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019825586	1	38	-1.0	-51.08	321.73	6.57	-44.51
CN(C(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019825587	0	35	-1.0	-47.83	299.85	6.11	-41.72
CN(C(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019825587	1	35	-1.0	-47.77	299.99	6.10	-41.67
CN(C(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1O)C1=N[N-]N=N1	REAL300019825588	0	42	-1.0	-57.08	337.10	2.86	-54.22
CN(C(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1O)C1=NN=N[N-]1	REAL300019825588	1	42	-1.0	-53.17	336.64	2.90	-50.27
CN(C(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1[O-])C1=N[N-]N=N1	REAL300019825588	1	41	-2.0	-128.09	338.17	2.94	-125.15
CN(C(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1[O-])C1=NN=N[N-]1	REAL300019825588	1	41	-2.0	-116.49	337.29	3.19	-113.30
CN(C(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1O)C1=N[N-]N=N1	REAL300019825589	0	41	-1.0	-53.74	332.65	3.52	-50.22
CN(C(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1O)C1=NN=N[N-]1	REAL300019825589	1	41	-1.0	-50.31	332.19	3.55	-46.76
CN(C(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1[O-])C1=N[N-]N=N1	REAL300019825589	1	40	-2.0	-121.92	333.73	3.59	-118.33
CN(C(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1[O-])C1=NN=N[N-]1	REAL300019825589	1	40	-2.0	-112.18	332.84	3.86	-108.32
CN(C(=O)C1=CC(NC(=O)OCC(F)(F)F)=CC=C1O)C1=N[N-]N=N1	REAL300019825590	0	35	-1.0	-49.90	319.33	2.85	-47.05
CN(C(=O)C1=CC(NC(=O)OCC(F)(F)F)=CC=C1O)C1=NN=N[N-]1	REAL300019825590	1	35	-1.0	-49.93	319.18	2.87	-47.06
CN(C(=O)C1=CC(NC(=O)OCC(F)(F)F)=CC=C1[O-])C1=N[N-]N=N1	REAL300019825590	1	34	-2.0	-110.72	315.77	3.83	-106.89
CN(C(=O)C1=CC(NC(=O)OCC(F)(F)F)=CC=C1[O-])C1=NN=N[N-]1	REAL300019825590	1	34	-2.0	-110.75	315.62	3.85	-106.90
CN(C(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=N[N-]N=N1	REAL300019825591	0	28	-1.0	-53.81	264.75	-0.05	-53.86
CN(C(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=NN=N[N-]1	REAL300019825591	1	28	-1.0	-53.88	264.62	-0.05	-53.93
CN(C(=O)COC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019825592	0	27	-1.0	-53.14	259.20	6.50	-46.64
CN(C(=O)COC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019825592	1	27	-1.0	-53.24	259.06	6.52	-46.72
CN(C(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=NN=N[N-]1	REAL300019825593	0	32	-1.0	-52.93	291.61	7.34	-45.59
CN(C(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=N[N-]N=N1	REAL300019825593	1	32	-1.0	-52.88	291.75	7.33	-45.55
CN(C(=O)C1=CC=C(Br)C=C1Br)C1=N[N-]N=N1	REAL300019825594	0	23	-1.0	-44.68	244.61	6.15	-38.53
CN(C(=O)C1=CC=C(Br)C=C1Br)C1=NN=N[N-]1	REAL300019825594	1	23	-1.0	-44.72	244.47	6.15	-38.57
CN(C(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=N[N-]N=N1	REAL300019825595	0	28	-1.0	-51.68	268.71	4.85	-46.83
CN(C(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=NN=N[N-]1	REAL300019825595	1	28	-1.0	-51.73	268.57	4.88	-46.85
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(C)C=C1Br	REAL300019825596	0	29	-1.0	-43.79	261.44	6.78	-37.01
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(C)C=C1Br	REAL300019825596	1	29	-1.0	-43.86	261.30	6.80	-37.06
CN(C(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300019825597	0	32	-1.0	-61.36	290.26	7.90	-53.46
CN(C(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300019825597	1	32	-1.0	-61.25	290.40	7.89	-53.36
CN(C(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825598	0	50	-1.0	-38.96	395.47	7.14	-31.82
CN(C(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825598	1	50	-1.0	-38.96	395.33	7.15	-31.81
CN(C(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019825599	0	47	-1.0	-53.47	365.87	7.43	-46.04
CN(C(=O)C1CC12CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019825599	1	47	-1.0	-53.56	365.73	7.45	-46.11
CN(C(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300019825600	0	33	-1.0	-57.89	299.45	3.38	-54.51
CN(C(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300019825600	1	33	-1.0	-57.96	299.31	3.41	-54.55
CN(C(=O)C1=CC=NC(Cl)=C1I)C1=NN=N[N-]1	REAL300019825601	0	22	-1.0	-44.36	237.54	4.56	-39.80
CN(C(=O)C1=CC=NC(Cl)=C1I)C1=N[N-]N=N1	REAL300019825601	1	22	-1.0	-44.29	237.68	4.56	-39.73
CCCCCCCCCCC(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL300019825602	0	52	-1.0	-31.19	384.04	10.12	-21.07
CCCCCCCCCCC(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL300019825602	1	52	-1.0	-31.25	383.90	10.14	-21.11
CN(C(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825603	0	43	-1.0	-48.71	348.78	6.45	-42.26
CN(C(=O)CC1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825603	1	43	-1.0	-48.82	348.64	6.49	-42.33
CN(C(=O)C1=NC=CN2C(Br)=CN=C12)C1=NN=N[N-]1	REAL300019825604	0	25	-1.0	-53.87	247.60	5.40	-48.47
CN(C(=O)C1=NC=CN2C(Br)=CN=C12)C1=N[N-]N=N1	REAL300019825604	1	25	-1.0	-53.79	247.74	5.39	-48.40
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300019825605	0	41	-1.0	-46.50	337.66	8.14	-38.36
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300019825605	1	41	-1.0	-46.53	337.51	8.16	-38.37
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825606	0	36	-1.0	-47.73	302.20	7.85	-39.88
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825606	1	36	-1.0	-47.78	302.07	7.87	-39.91
CN(C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=NN=N[N-]1	REAL300019825607	0	30	-1.0	-43.40	273.05	6.52	-36.88
CN(C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=N[N-]N=N1	REAL300019825607	1	30	-1.0	-43.36	273.19	6.50	-36.86
CC(CC1=CC=C(Br)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825608	0	32	-1.0	-44.93	283.06	7.60	-37.33
CC(CC1=CC=C(Br)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825608	1	32	-1.0	-44.99	282.93	7.63	-37.36
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825609	0	35	-1.0	-53.45	302.79	3.81	-49.64
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825609	1	35	-1.0	-53.41	302.92	3.80	-49.61
CC1=CC(S(C)(=O)=O)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL300019825610	0	35	-1.0	-55.33	299.55	3.68	-51.65
CC1=CC(S(C)(=O)=O)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL300019825610	1	35	-1.0	-55.26	299.69	3.68	-51.58
CC1=C2OC(C(=O)N(C)C3=N[N-]N=N3)=CC2=CC(Br)=C1	REAL300019825611	0	29	-1.0	-42.35	276.27	7.07	-35.28
CC1=C2OC(C(=O)N(C)C3=NN=N[N-]3)=CC2=CC(Br)=C1	REAL300019825611	1	29	-1.0	-42.43	276.12	7.09	-35.34
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)C1=N[N-]N=N1	REAL300019825612	0	49	-1.0	-44.73	389.23	3.18	-41.55
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)C1=NN=N[N-]1	REAL300019825612	1	49	-1.0	-44.79	389.10	3.20	-41.59
COCCOC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC2=CC=CC=C21	REAL300019825613	0	39	-1.0	-49.05	329.83	5.93	-43.12
COCCOC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC2=CC=CC=C21	REAL300019825613	1	39	-1.0	-48.99	329.97	5.92	-43.07
CN(C(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300019825614	0	33	-1.0	-44.77	300.87	8.48	-36.29
CN(C(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300019825614	1	33	-1.0	-44.89	300.74	8.51	-36.38
CN(C(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019825615	0	32	-1.0	-47.55	306.04	6.95	-40.60
CN(C(=O)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019825615	1	32	-1.0	-47.51	306.19	6.95	-40.56
CN(C(=O)CC1=CC=CC(OCCCOC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019825616	0	47	-1.0	-52.66	392.61	9.60	-43.06
CN(C(=O)CC1=CC=CC(OCCCOC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019825616	1	47	-1.0	-52.69	392.47	9.64	-43.05
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019825617	0	40	-1.0	-44.44	322.57	5.90	-38.54
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019825617	1	40	-1.0	-44.41	322.71	5.89	-38.52
CN(C(=O)C1=CC=C(Cl)C(Br)=C1)C1=N[N-]N=N1	REAL300019825618	0	23	-1.0	-42.24	238.32	5.98	-36.26
CN(C(=O)C1=CC=C(Cl)C(Br)=C1)C1=NN=N[N-]1	REAL300019825618	1	23	-1.0	-42.31	238.18	5.97	-36.34
CN(C(=O)C1=C2N=CC(Br)=CN2N=C1)C1=NN=N[N-]1	REAL300019825619	0	25	-1.0	-53.68	245.58	4.43	-49.25
CN(C(=O)C1=C2N=CC(Br)=CN2N=C1)C1=N[N-]N=N1	REAL300019825619	1	25	-1.0	-53.55	245.73	4.43	-49.12
CC1=C(Br)C=C(C(=O)N(C)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019825620	0	28	-1.0	-43.73	264.61	6.62	-37.11
CC1=C(Br)C=C(C(=O)N(C)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019825620	1	28	-1.0	-43.79	264.48	6.62	-37.17
CN(C(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019825621	0	35	-1.0	-47.90	326.18	9.31	-38.59
CN(C(=O)CCCCC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019825621	1	35	-1.0	-47.98	326.05	9.34	-38.64
CN(C(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=N[N-]N=N1	REAL300019825622	0	34	-1.0	-46.01	303.59	6.62	-39.39
CN(C(=O)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)C1=NN=N[N-]1	REAL300019825622	1	34	-1.0	-46.11	303.45	6.64	-39.47
CN(C(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=N[N-]N=N1	REAL300019825623	0	36	-1.0	-55.90	316.80	2.55	-53.35
CN(C(=O)CCC(=O)NC1=CC=C2NC(=O)NC2=N1)C1=NN=N[N-]1	REAL300019825623	1	36	-1.0	-55.96	316.66	2.57	-53.39
CN(C(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=NN=N[N-]1	REAL300019825624	0	35	-1.0	-51.99	299.56	8.87	-43.12
CN(C(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=N[N-]N=N1	REAL300019825624	1	35	-1.0	-51.95	299.71	8.86	-43.09
CN(C(=O)C1=NC=CC2=C(S(N)(=O)=O)C=CC=C12)C1=NN=N[N-]1	REAL300019825625	0	33	-1.0	-51.37	299.02	0.36	-51.01
CN(C(=O)C1=NC=CC2=C(S(N)(=O)=O)C=CC=C12)C1=N[N-]N=N1	REAL300019825625	1	33	-1.0	-51.35	299.16	0.36	-50.99
CN(C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O)C1=N[N-]N=N1	REAL300019825626	0	35	-2.0	-93.76	330.99	2.24	-91.52
CN(C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O)C1=NN=N[N-]1	REAL300019825626	1	35	-2.0	-93.85	330.84	2.25	-91.60
CN(C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019825626	1	34	-3.0	-190.49	327.42	3.23	-187.26
CN(C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019825626	1	34	-3.0	-190.49	327.28	3.23	-187.26
CN(C(=O)C1=CC(I)=CC=C1O)C1=N[N-]N=N1	REAL300019825627	0	24	-1.0	-46.94	238.28	4.38	-42.56
CN(C(=O)C1=CC(I)=CC=C1O)C1=NN=N[N-]1	REAL300019825627	1	24	-1.0	-46.98	238.13	4.39	-42.59
CN(C(=O)C1=CC(I)=CC=C1[O-])C1=N[N-]N=N1	REAL300019825627	1	23	-2.0	-106.44	234.72	5.37	-101.07
CN(C(=O)C1=CC(I)=CC=C1[O-])C1=NN=N[N-]1	REAL300019825627	1	23	-2.0	-106.47	234.57	5.38	-101.09
COC1=CC(C(=O)NC2=CC=C(O)C(C(=O)N(C)C3=N[N-]N=N3)=C2)=CC(OC)=C1	REAL300019825628	0	46	-1.0	-54.52	382.48	3.80	-50.72
COC1=CC(C(=O)NC2=CC=C(O)C(C(=O)N(C)C3=NN=N[N-]3)=C2)=CC(OC)=C1	REAL300019825628	1	46	-1.0	-54.58	382.34	3.80	-50.78
COC1=CC(C(=O)NC2=CC=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=C2)=CC(OC)=C1	REAL300019825628	1	45	-2.0	-119.28	378.09	4.86	-114.42
COC1=CC(OC)=CC(C(=O)NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C(O)=C2)=C1	REAL300019825629	0	46	-1.0	-56.71	387.69	3.28	-53.43
COC1=CC(OC)=CC(C(=O)NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C(O)=C2)=C1	REAL300019825629	1	46	-1.0	-54.29	387.50	3.28	-51.01
COC1=CC(OC)=CC(C(=O)NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C([O-])=C2)=C1	REAL300019825629	1	45	-2.0	-127.73	384.12	4.12	-123.61
COC1=CC(OC)=CC(C(=O)NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C([O-])=C2)=C1	REAL300019825629	1	45	-2.0	-117.85	383.93	4.13	-113.72
CN(C(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019825630	0	29	-2.0	-110.28	266.18	7.02	-103.26
CN(C(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019825630	1	29	-2.0	-110.36	266.04	7.02	-103.34
CN(C(=O)C1=C(O)C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019825630	1	30	-1.0	-47.91	269.60	6.04	-41.87
CN(C(=O)C1=C(O)C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019825630	1	30	-1.0	-47.80	269.74	6.03	-41.77
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019825631	0	45	-1.0	-34.46	338.43	5.08	-29.38
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019825631	1	45	-1.0	-34.54	338.29	5.09	-29.45
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)N(C)C3=N[N-]N=N3)=C2)C=NO1	REAL300019825632	0	37	-1.0	-52.79	320.50	3.44	-49.35
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)N(C)C3=NN=N[N-]3)=C2)C=NO1	REAL300019825632	1	37	-1.0	-52.88	320.36	3.45	-49.43
CC1=C(C(=O)NC2=CC=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=C2)C=NO1	REAL300019825632	1	36	-2.0	-114.26	318.23	4.50	-109.76
CN(C(=O)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1O)C1=N[N-]N=N1	REAL300019825633	0	38	-1.0	-53.96	341.58	4.80	-49.16
CN(C(=O)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1O)C1=NN=N[N-]1	REAL300019825633	1	38	-1.0	-51.67	341.39	4.81	-46.86
CN(C(=O)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019825633	1	37	-2.0	-121.75	338.01	5.65	-116.10
CN(C(=O)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019825633	1	37	-2.0	-112.27	337.82	5.66	-106.61
CN(C(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019825634	0	40	-1.0	-51.71	339.86	7.72	-43.99
CN(C(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019825634	1	40	-1.0	-51.69	339.91	7.73	-43.96
CN(C(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300019825635	0	37	-1.0	-51.12	317.06	7.22	-43.90
CN(C(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300019825635	1	37	-1.0	-51.09	317.20	7.21	-43.88
CN(C(=O)C(C1=CC=CC=C1)N1CCC(O)CC1)C1=N[N-]N=N1	REAL300019825636	0	42	-1.0	-50.81	327.18	3.52	-47.29
CN(C(=O)C(C1=CC=CC=C1)N1CCC(O)CC1)C1=NN=N[N-]1	REAL300019825636	1	42	-1.0	-50.84	327.05	3.55	-47.29
CN(C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C1=NN=N[N-]1	REAL300019825636	1	43	0.0	-54.07	328.65	5.41	-48.66
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300019825637	0	30	-1.0	-49.00	280.32	7.29	-41.71
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300019825637	1	30	-1.0	-48.93	280.46	7.28	-41.65
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019825638	0	40	-1.0	-47.63	360.13	8.90	-38.73
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019825638	1	40	-1.0	-47.73	359.98	8.91	-38.82
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825639	0	40	-1.0	-47.12	346.36	8.45	-38.67
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825639	1	40	-1.0	-47.02	346.50	8.43	-38.59
CN(C(=O)C1=CC=CC=C1NCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825640	0	38	-1.0	-48.40	317.12	7.82	-40.58
CN(C(=O)C1=CC=CC=C1NCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825640	1	38	-1.0	-48.36	317.27	7.82	-40.54
CCOC(=O)C1=C2N=CC=C(C(=O)N(C)C3=NN=N[N-]3)N2N=C1	REAL300019825641	0	34	-1.0	-53.74	310.31	5.56	-48.18
CCOC(=O)C1=C2N=CC=C(C(=O)N(C)C3=N[N-]N=N3)N2N=C1	REAL300019825641	1	34	-1.0	-53.65	310.46	5.56	-48.09
CN(C(=O)C1=CC=C(S(C)(=O)=O)C(Br)=C1)C1=N[N-]N=N1	REAL300019825642	0	29	-1.0	-50.30	275.68	2.96	-47.34
CN(C(=O)C1=CC=C(S(C)(=O)=O)C(Br)=C1)C1=NN=N[N-]1	REAL300019825642	1	29	-1.0	-50.36	275.53	2.95	-47.41
CN(C(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825643	0	41	-1.0	-49.91	331.43	9.75	-40.16
CN(C(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825643	1	41	-1.0	-49.98	331.30	9.77	-40.21
CN(C(=O)C1=CC(Br)=C([O-])C(Br)=C1)C1=N[N-]N=N1	REAL300019825644	0	23	-2.0	-82.91	251.36	4.19	-78.72
CN(C(=O)C1=CC(Br)=C([O-])C(Br)=C1)C1=NN=N[N-]1	REAL300019825644	1	23	-2.0	-82.95	251.21	4.18	-78.77
CN(C(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300019825645	0	28	-1.0	-52.34	276.58	0.41	-51.93
CN(C(=O)C1=CC(S(N)(=O)=O)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300019825645	1	28	-1.0	-52.39	276.44	0.41	-51.98
CC1=CC=C(CC2=NC(C(=O)N(C)C3=N[N-]N=N3)=CS2)C=C1	REAL300019825646	0	35	-1.0	-49.09	314.23	8.07	-41.02
CC1=CC=C(CC2=NC(C(=O)N(C)C3=NN=N[N-]3)=CS2)C=C1	REAL300019825646	1	35	-1.0	-49.16	314.08	8.09	-41.07
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300019825647	0	29	-1.0	-46.92	262.18	6.85	-40.07
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300019825647	1	29	-1.0	-46.97	262.04	6.87	-40.10
CC(C)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300019825648	0	39	-1.0	-49.95	319.14	8.29	-41.66
CC(C)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300019825648	1	39	-1.0	-49.90	319.29	8.28	-41.62
CN(C(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1=NN=N[N-]1	REAL300019825649	0	29	-1.0	-46.22	270.50	7.79	-38.43
CN(C(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1=N[N-]N=N1	REAL300019825649	1	29	-1.0	-46.20	270.64	7.79	-38.41
CN(C(=O)C1=NOC(COC2=CC=C(Cl)C=C2Cl)=C1)C1=N[N-]N=N1	REAL300019825650	0	33	-1.0	-48.07	325.69	7.36	-40.71
CN(C(=O)C1=NOC(COC2=CC=C(Cl)C=C2Cl)=C1)C1=NN=N[N-]1	REAL300019825650	1	33	-1.0	-48.12	325.55	7.38	-40.74
CN(C(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=NN=N[N-]1	REAL300019825651	0	40	-1.0	-56.68	329.52	4.24	-52.44
CN(C(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=N[N-]N=N1	REAL300019825651	1	40	-1.0	-56.60	329.66	4.21	-52.39
CN(C(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=NN=N[N-]1	REAL300019825652	0	34	-1.0	-42.55	296.87	6.07	-36.48
CN(C(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=N[N-]N=N1	REAL300019825652	1	34	-1.0	-42.51	297.01	6.06	-36.45
CCCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019825653	0	45	-1.0	-34.39	346.30	4.92	-29.47
CCCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019825653	1	45	-1.0	-34.44	346.17	4.94	-29.50
CNC(=O)COC1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825654	0	37	-1.0	-59.87	319.89	4.81	-55.06
CNC(=O)COC1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825654	1	37	-1.0	-59.96	319.75	4.85	-55.11
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1C1=CC=CC=N1	REAL300019825655	0	36	-1.0	-50.65	301.69	6.60	-44.05
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1C1=CC=CC=N1	REAL300019825655	1	36	-1.0	-50.58	301.83	6.60	-43.98
CCCOC1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1OCCC	REAL300019825656	0	46	-1.0	-50.95	375.32	8.61	-42.34
CCCOC1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1OCCC	REAL300019825656	1	46	-1.0	-51.01	375.19	8.64	-42.37
CN(C(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825657	0	44	-1.0	-51.37	345.45	7.02	-44.35
CN(C(=O)CC1CSCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825657	1	44	-1.0	-51.44	345.32	7.06	-44.38
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1NC(=O)OC(C)(C)C	REAL300019825658	0	43	-1.0	-48.93	340.74	5.98	-42.95
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300019825658	1	43	-1.0	-49.03	340.60	5.97	-43.06
CN(C(=O)C(C)(NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300019825659	0	43	-1.0	-58.19	327.61	5.33	-52.86
CN(C(=O)C(C)(NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300019825659	1	43	-1.0	-58.25	327.48	5.35	-52.90
CN(C(=O)C1=CC(I)=C(F)C=C1F)C1=N[N-]N=N1	REAL300019825660	0	23	-1.0	-43.85	239.48	6.08	-37.77
CN(C(=O)C1=CC(I)=C(F)C=C1F)C1=NN=N[N-]1	REAL300019825660	1	23	-1.0	-43.88	239.34	6.08	-37.80
CN(C(=O)CC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300019825661	0	26	-1.0	-47.75	256.58	6.63	-41.12
CN(C(=O)CC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300019825661	1	26	-1.0	-47.83	256.44	6.65	-41.18
CN(C(=O)CC1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL300019825662	0	26	-1.0	-45.72	264.27	6.96	-38.76
CN(C(=O)CC1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL300019825662	1	26	-1.0	-45.81	264.14	6.98	-38.83
CN(C(=O)CC1=CC=CC=C1I)C1=N[N-]N=N1	REAL300019825663	0	26	-1.0	-46.35	253.06	6.88	-39.47
CN(C(=O)CC1=CC=CC=C1I)C1=NN=N[N-]1	REAL300019825663	1	26	-1.0	-46.43	252.93	6.90	-39.53
CN(C(=O)CC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300019825664	0	26	-1.0	-46.01	253.96	6.51	-39.50
CN(C(=O)CC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300019825664	1	26	-1.0	-46.04	253.82	6.54	-39.50
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N(C)C2=N[N-]N=N2)C1=O	REAL300019825665	0	42	-1.0	-55.32	350.33	5.82	-49.50
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N(C)C2=NN=N[N-]2)C1=O	REAL300019825665	1	42	-1.0	-55.44	350.18	5.84	-49.60
CN(C(=O)CSC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300019825666	0	27	-1.0	-48.17	269.69	7.08	-41.09
CN(C(=O)CSC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300019825666	1	27	-1.0	-48.23	269.55	7.11	-41.12
CN(C(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825667	0	46	-1.0	-52.88	374.46	7.37	-45.51
CN(C(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825667	1	46	-1.0	-52.98	374.33	7.40	-45.58
CCC1(C(=O)N(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019825668	0	46	-1.0	-58.85	347.49	5.89	-52.96
CCC1(C(=O)N(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019825668	1	46	-1.0	-58.89	347.35	5.90	-52.99
COC(=O)[C@H](CCC(=O)N(C)C1=N[N-]N=N1)NC(=O)OCC1=CC=CC=C1	REAL300019825669	0	46	-1.0	-52.22	398.41	6.85	-45.37
COC(=O)[C@H](CCC(=O)N(C)C1=NN=N[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300019825669	1	46	-1.0	-52.36	398.28	6.89	-45.47
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019825670	0	45	-1.0	-32.61	334.15	3.95	-28.66
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019825670	1	45	-1.0	-32.55	334.00	3.95	-28.60
CN(C)C(=O)NC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(Cl)=C1	REAL300019825671	0	35	-1.0	-56.42	308.03	5.22	-51.20
CN(C)C(=O)NC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(Cl)=C1	REAL300019825671	1	35	-1.0	-56.53	307.89	5.24	-51.29
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825672	0	43	-1.0	-60.45	353.75	7.84	-52.61
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825672	1	43	-1.0	-60.54	353.61	7.84	-52.70
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825673	0	43	-1.0	-44.99	349.11	5.81	-39.18
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825673	1	43	-1.0	-45.03	348.98	5.85	-39.18
CC1=CC=C(C(O)(CC(=O)N(C)C2=N[N-]N=N2)C(F)(F)F)O1	REAL300019825674	0	33	-1.0	-43.19	295.29	4.48	-38.71
CC1=CC=C(C(O)(CC(=O)N(C)C2=NN=N[N-]2)C(F)(F)F)O1	REAL300019825674	1	33	-1.0	-43.27	295.15	4.50	-38.77
CN(C(=O)C1=CC=C(S(N)(=O)=O)C(Br)=C1)C1=N[N-]N=N1	REAL300019825675	0	28	-1.0	-49.36	272.89	0.54	-48.82
CN(C(=O)C1=CC=C(S(N)(=O)=O)C(Br)=C1)C1=NN=N[N-]1	REAL300019825675	1	28	-1.0	-49.43	272.74	0.54	-48.89
CN(C(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825676	0	26	-1.0	-42.00	254.95	6.35	-35.65
CN(C(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825676	1	26	-1.0	-42.05	254.81	6.35	-35.70
CN(C(=O)C(C)(C)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019825677	0	44	-1.0	-50.16	328.99	9.18	-40.98
CN(C(=O)C(C)(C)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019825677	1	44	-1.0	-50.29	328.86	9.19	-41.10
CC(C)COC1=CC=CC(OCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825678	0	40	-1.0	-53.54	331.72	7.57	-45.97
CC(C)COC1=CC=CC(OCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825678	1	40	-1.0	-53.63	331.59	7.60	-46.03
CN(C(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825679	0	28	-1.0	-42.90	270.37	6.61	-36.29
CN(C(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825679	1	28	-1.0	-43.05	270.23	6.60	-36.45
CN(C(=O)C1=CC(Cl)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019825680	0	23	-1.0	-42.56	241.16	6.05	-36.51
CN(C(=O)C1=CC(Cl)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019825680	1	23	-1.0	-42.63	241.02	6.04	-36.59
CN(C(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=NN=N[N-]1	REAL300019825681	0	35	-1.0	-45.38	313.55	8.46	-36.92
CN(C(=O)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)C1=N[N-]N=N1	REAL300019825681	1	35	-1.0	-45.58	313.66	8.44	-37.14
CN(C(=O)C1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825682	0	40	-1.0	-47.81	321.98	5.52	-42.29
CN(C(=O)C1=CC=CC=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825682	1	40	-1.0	-47.69	322.13	5.51	-42.18
CN(C(=O)C1(C)CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825683	0	43	-1.0	-58.67	324.37	6.09	-52.58
CN(C(=O)C1(C)CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825683	1	43	-1.0	-58.76	324.24	6.07	-52.69
CN(C(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=N[N-]N=N1	REAL300019825684	0	39	-1.0	-60.19	312.67	5.36	-54.83
CN(C(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=NN=N[N-]1	REAL300019825684	1	39	-1.0	-60.26	312.53	5.37	-54.89
CN(C(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825685	0	30	-1.0	-47.84	275.87	5.77	-42.07
CN(C(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825685	1	30	-1.0	-47.93	275.73	5.79	-42.14
CN(C(=O)C1(OCC2=CC=CC=C2)CCOCC1)C1=N[N-]N=N1	REAL300019825686	0	41	-1.0	-47.31	323.33	6.09	-41.22
CN(C(=O)C1(OCC2=CC=CC=C2)CCOCC1)C1=NN=N[N-]1	REAL300019825686	1	41	-1.0	-47.37	323.19	6.11	-41.26
CC(C)C(C(=O)N(C)C1=N[N-]N=N1)N1CCCS1(=O)=O	REAL300019825687	0	37	-1.0	-54.11	300.01	2.45	-51.66
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)N1CCCS1(=O)=O	REAL300019825687	1	37	-1.0	-54.13	299.88	2.46	-51.67
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019825688	0	37	-1.0	-44.75	305.49	5.26	-39.49
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019825688	1	37	-1.0	-44.70	305.63	5.24	-39.46
CC1=CC=CC=C1SC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825689	0	37	-1.0	-46.42	320.19	9.54	-36.88
CC1=CC=CC=C1SC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825689	1	37	-1.0	-46.48	320.03	9.53	-36.95
CN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1=N[N-]N=N1	REAL300019825690	0	45	-1.0	-42.91	333.85	4.85	-38.06
CN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1=NN=N[N-]1	REAL300019825690	1	45	-1.0	-43.00	333.71	4.85	-38.15
CN(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825691	0	40	-1.0	-35.95	319.25	1.08	-34.87
CN(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825691	1	40	-1.0	-36.01	319.12	1.10	-34.91
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300019825692	0	39	-1.0	-47.48	319.01	8.11	-39.37
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1C	REAL300019825692	1	39	-1.0	-47.34	319.13	8.08	-39.26
CN(C(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019825693	0	36	-1.0	-50.24	335.60	7.63	-42.61
CN(C(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019825693	1	36	-1.0	-50.31	335.47	7.64	-42.67
CN(C(=O)C1=CN(CCOC2=CC=CC=C2Cl)C(=O)C=C1)C1=N[N-]N=N1	REAL300019825694	0	40	-1.0	-50.93	361.42	8.04	-42.89
CN(C(=O)C1=CN(CCOC2=CC=CC=C2Cl)C(=O)C=C1)C1=NN=N[N-]1	REAL300019825694	1	40	-1.0	-50.97	361.29	8.04	-42.93
CN(C(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300019825695	0	39	-1.0	-51.45	333.89	7.56	-43.89
CN(C(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300019825695	1	39	-1.0	-51.50	333.76	7.59	-43.91
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL300019825696	0	29	-1.0	-42.40	277.90	5.76	-36.64
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL300019825696	1	29	-1.0	-42.31	278.04	5.75	-36.56
COC1=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019825697	0	39	-1.0	-51.54	321.21	6.67	-44.87
COC1=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019825697	1	39	-1.0	-51.44	321.35	6.67	-44.77
CN(C(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019825698	0	41	-1.0	-48.47	321.75	4.71	-43.76
CN(C(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019825698	1	41	-1.0	-48.52	321.62	4.73	-43.79
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825699	0	42	-1.0	-49.35	376.64	9.71	-39.64
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825699	1	42	-1.0	-49.45	376.50	9.74	-39.71
CN(C(=O)CSC1=NN=C(C2=CC=CO2)N1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825700	0	40	-1.0	-51.11	366.78	9.97	-41.14
CN(C(=O)CSC1=NN=C(C2=CC=CO2)N1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825700	1	40	-1.0	-51.23	366.64	9.99	-41.24
CN(C(=O)C1CC(=O)N(CCOC2=CC=CC=C2Cl)C1)C1=N[N-]N=N1	REAL300019825701	0	41	-1.0	-52.72	358.48	6.99	-45.73
CN(C(=O)C1CC(=O)N(CCOC2=CC=CC=C2Cl)C1)C1=NN=N[N-]1	REAL300019825701	1	41	-1.0	-52.77	358.36	7.02	-45.75
CN(C(=O)CC1=CC=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300019825702	0	26	-1.0	-47.85	256.88	6.63	-41.22
CN(C(=O)CC1=CC=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300019825702	1	26	-1.0	-47.95	256.74	6.67	-41.28
CN(C(=O)C1=CC=CC(F)=C1I)C1=N[N-]N=N1	REAL300019825703	0	23	-1.0	-47.96	229.21	6.00	-41.96
CN(C(=O)C1=CC=CC(F)=C1I)C1=NN=N[N-]1	REAL300019825703	1	23	-1.0	-48.08	229.07	5.99	-42.09
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019825704	0	44	-1.0	-53.08	346.93	5.47	-47.61
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019825704	1	44	-1.0	-53.11	346.79	5.49	-47.62
CN(C(=O)CCCOC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019825705	0	36	-1.0	-54.18	307.30	5.01	-49.17
CN(C(=O)CCCOC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019825705	1	36	-1.0	-54.27	307.16	5.04	-49.23
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N(C)C1=N[N-]N=N1	REAL300019825706	0	48	-1.0	-50.50	377.47	9.44	-41.06
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N(C)C1=NN=N[N-]1	REAL300019825706	1	48	-1.0	-50.65	377.34	9.47	-41.18
CN(C(=O)CCCOC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300019825707	0	40	-1.0	-51.85	326.77	8.27	-43.58
CN(C(=O)CCCOC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300019825707	1	40	-1.0	-51.93	326.63	8.31	-43.62
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019825708	0	34	-1.0	-43.81	309.37	8.22	-35.59
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019825708	1	34	-1.0	-43.76	309.50	8.22	-35.54
CN(C(=O)C(C)(C)C1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019825709	0	42	-1.0	-51.98	326.93	10.27	-41.71
CN(C(=O)C(C)(C)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019825709	1	42	-1.0	-52.05	326.79	10.29	-41.76
CN(C(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=NN=N[N-]1	REAL300019825710	0	32	-1.0	-53.88	283.74	0.02	-53.86
CN(C(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=N[N-]N=N1	REAL300019825710	1	32	-1.0	-53.80	283.88	0.02	-53.78
CN(C(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL300019825711	0	34	-1.0	-52.72	302.34	3.58	-49.14
CN(C(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL300019825711	1	34	-1.0	-52.84	302.22	3.58	-49.26
CN(C(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825712	0	25	-1.0	-40.20	253.26	4.58	-35.62
CN(C(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825712	1	25	-1.0	-40.15	253.40	4.59	-35.56
CN(C(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL300019825713	0	29	-1.0	-42.27	297.09	7.10	-35.17
CN(C(=O)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL300019825713	1	29	-1.0	-42.20	297.23	7.07	-35.13
C=C(C)CN1C(SCC(=O)N(C)C2=N[N-]N=N2)=NN=C1C1=CC=CO1	REAL300019825714	0	40	-1.0	-48.63	357.85	8.58	-40.05
C=C(C)CN1C(SCC(=O)N(C)C2=NN=N[N-]2)=NN=C1C1=CC=CO1	REAL300019825714	1	40	-1.0	-48.66	357.72	8.60	-40.06
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1CC1=CC=CO1)C1=N[N-]N=N1	REAL300019825715	0	42	-1.0	-49.13	375.60	8.44	-40.69
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1CC1=CC=CO1)C1=NN=N[N-]1	REAL300019825715	1	42	-1.0	-49.18	375.47	8.46	-40.72
CN(C(=O)CCCOC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300019825716	0	43	-1.0	-51.43	343.97	8.85	-42.58
CN(C(=O)CCCOC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300019825716	1	43	-1.0	-51.51	343.83	8.89	-42.62
CC1=CC(S(N)(=O)=O)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL300019825717	0	34	-1.0	-52.76	293.09	1.10	-51.66
CC1=CC(S(N)(=O)=O)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL300019825717	1	34	-1.0	-52.71	293.23	1.10	-51.61
CN(C(=O)CSC1=NN=C(C2=CC=CO2)N1CC1=CC=CO1)C1=N[N-]N=N1	REAL300019825718	0	40	-1.0	-51.20	368.77	8.60	-42.60
CN(C(=O)CSC1=NN=C(C2=CC=CO2)N1CC1=CC=CO1)C1=NN=N[N-]1	REAL300019825718	1	40	-1.0	-51.20	368.63	8.63	-42.57
CN(C(=O)CC1=CNC2=CC(Br)=CC=C12)C1=N[N-]N=N1	REAL300019825719	0	30	-1.0	-50.60	283.05	6.64	-43.96
CN(C(=O)CC1=CNC2=CC(Br)=CC=C12)C1=NN=N[N-]1	REAL300019825719	1	30	-1.0	-50.68	282.91	6.66	-44.02
CN(C(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=N[N-]N=N1	REAL300019825720	0	29	-1.0	-50.51	287.10	5.32	-45.19
CN(C(=O)C1=NOC(CN2C=C(Br)C=N2)=C1)C1=NN=N[N-]1	REAL300019825720	1	29	-1.0	-50.53	286.96	5.32	-45.21
CN(C(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL300019825721	0	29	-1.0	-48.64	283.01	7.84	-40.80
CN(C(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL300019825721	1	29	-1.0	-48.68	282.87	7.87	-40.81
CN(C(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019825722	0	46	-1.0	-31.78	333.74	5.81	-25.97
CN(C(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019825722	1	46	-1.0	-31.86	333.74	5.82	-26.04
CN(C(=O)C1(C)CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019825723	0	46	-1.0	-40.70	333.98	6.11	-34.59
CN(C(=O)C1(C)CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019825723	1	46	-1.0	-40.76	333.82	6.10	-34.66
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL300019825724	0	39	-1.0	-60.50	343.54	5.31	-55.19
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL300019825724	1	39	-1.0	-60.42	343.67	5.27	-55.15
CC(C(=O)N(C)C1=N[N-]N=N1)S(=O)(=O)C1CCOCC1	REAL300019825725	0	36	-1.0	-50.08	296.47	2.10	-47.98
CC(C(=O)N(C)C1=NN=N[N-]1)S(=O)(=O)C1CCOCC1	REAL300019825725	1	36	-1.0	-50.17	296.34	2.11	-48.06
CN(C(=O)C1=CC(F)=C(F)C=C1Br)C1=N[N-]N=N1	REAL300019825726	0	23	-1.0	-41.28	230.79	5.64	-35.64
CN(C(=O)C1=CC(F)=C(F)C=C1Br)C1=NN=N[N-]1	REAL300019825726	1	23	-1.0	-41.37	230.64	5.63	-35.74
CC1=CC=C(C(C)C)C(OCCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825727	0	42	-1.0	-46.68	339.75	8.30	-38.38
CC1=CC=C(C(C)C)C(OCCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825727	1	42	-1.0	-46.75	339.62	8.32	-38.43
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019825728	0	48	-1.0	-32.39	349.79	4.92	-27.47
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019825728	1	48	-1.0	-32.48	349.66	4.94	-27.54
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825729	0	35	-1.0	-50.41	303.96	5.07	-45.34
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825729	1	35	-1.0	-50.50	303.82	5.08	-45.42
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC(Br)=C2)=NO1	REAL300019825730	0	32	-1.0	-47.12	306.79	7.57	-39.55
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC(Br)=C2)=NO1	REAL300019825730	1	32	-1.0	-47.03	306.93	7.56	-39.47
CN(C(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019825731	0	38	-1.0	-51.88	317.42	4.05	-47.83
CN(C(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019825731	1	38	-1.0	-51.97	317.28	4.07	-47.90
COC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1OC1CCCC1	REAL300019825732	0	41	-1.0	-48.64	327.57	7.05	-41.59
COC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1OC1CCCC1	REAL300019825732	1	41	-1.0	-48.73	327.43	7.06	-41.67
CN(C(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NN=N[N-]1	REAL300019825733	0	32	-1.0	-50.83	299.23	6.80	-44.03
CN(C(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=N[N-]N=N1	REAL300019825733	1	32	-1.0	-50.77	299.37	6.76	-44.01
CN(C(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019825734	0	29	-1.0	-54.63	288.72	7.51	-47.12
CN(C(=O)CSC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019825734	1	29	-1.0	-54.70	288.59	7.53	-47.17
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019825735	0	39	-1.0	-48.54	328.34	4.37	-44.17
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019825735	1	39	-1.0	-48.64	328.19	4.39	-44.25
CN(C(=O)C1=CC(S(N)(=O)=O)=CC(Br)=C1Cl)C1=N[N-]N=N1	REAL300019825736	0	28	-1.0	-49.55	287.88	0.92	-48.63
CN(C(=O)C1=CC(S(N)(=O)=O)=CC(Br)=C1Cl)C1=NN=N[N-]1	REAL300019825736	1	28	-1.0	-49.64	287.74	0.92	-48.72
CN(C(=O)C(C1=C(F)C=CC=C1Cl)N1CCCCC1)C1=N[N-]N=N1	REAL300019825737	0	41	-1.0	-47.14	330.62	8.45	-38.69
CN(C(=O)C(C1=C(F)C=CC=C1Cl)N1CCCCC1)C1=NN=N[N-]1	REAL300019825737	1	41	-1.0	-47.25	330.47	8.48	-38.77
CN(C(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825738	0	40	-1.0	-48.54	319.05	8.37	-40.17
CN(C(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825738	1	40	-1.0	-48.61	318.91	8.39	-40.22
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300019825739	0	39	-1.0	-48.39	319.62	7.99	-40.40
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300019825739	1	39	-1.0	-48.31	319.78	7.96	-40.35
CN(C(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=NN=N[N-]1	REAL300019825740	0	33	-1.0	-41.87	298.96	4.71	-37.16
CN(C(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=N[N-]N=N1	REAL300019825740	1	33	-1.0	-41.77	299.09	4.70	-37.07
CN(C(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL300019825741	0	32	-1.0	-48.59	299.23	7.46	-41.13
CN(C(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL300019825741	1	32	-1.0	-48.66	299.09	7.48	-41.18
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300019825742	0	34	-1.0	-54.79	304.55	7.55	-47.24
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC(C#N)=C1	REAL300019825742	1	34	-1.0	-54.76	304.69	7.55	-47.21
CN(C(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019825743	0	26	-1.0	-46.87	254.62	4.02	-42.85
CN(C(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019825743	1	26	-1.0	-46.82	254.75	4.02	-42.80
CC1=CC(F)=CC=C1N1C=CC(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL300019825744	0	33	-1.0	-48.30	290.89	7.82	-40.48
CC1=CC(F)=CC=C1N1C=CC(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL300019825744	1	33	-1.0	-48.28	291.02	7.82	-40.46
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825745	0	35	-1.0	-48.57	313.56	8.23	-40.34
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825745	1	35	-1.0	-48.43	313.69	8.22	-40.21
CN(C(=O)C1=CC=C(Br)C=C1OC(F)F)C1=N[N-]N=N1	REAL300019825746	0	27	-1.0	-47.43	264.45	5.69	-41.74
CN(C(=O)C1=CC=C(Br)C=C1OC(F)F)C1=NN=N[N-]1	REAL300019825746	1	27	-1.0	-47.48	264.31	5.70	-41.78
CN(C(=O)C1=CNN=C1C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300019825747	0	33	-1.0	-52.38	288.02	3.59	-48.79
CN(C(=O)C1=CNN=C1C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300019825747	1	33	-1.0	-52.31	288.16	3.56	-48.75
CN(C(=O)C1=C(C2=CC=C3OCOC3=C2)NN=C1)C1=NN=N[N-]1	REAL300019825747	1	33	-1.0	-47.40	282.38	3.54	-43.86
CN(C(=O)C1=C(C2=CC=C3OCOC3=C2)NN=C1)C1=N[N-]N=N1	REAL300019825747	1	33	-1.0	-47.28	282.53	3.53	-43.75
CN(C(=O)CCC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300019825748	0	29	-1.0	-45.70	274.87	7.32	-38.38
CN(C(=O)CCC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300019825748	1	29	-1.0	-45.76	274.74	7.35	-38.41
CN(C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019825749	0	45	0.0	-36.54	326.46	8.57	-27.97
CN(C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019825749	1	45	0.0	-36.47	326.56	8.55	-27.92
CCCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1CCCC1	REAL300019825750	0	42	-1.0	-47.74	332.03	7.57	-40.17
CCCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1CCCC1	REAL300019825750	1	42	-1.0	-47.82	331.88	7.60	-40.22
CC(C)COC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Cl	REAL300019825751	0	35	-1.0	-41.81	308.88	4.62	-37.19
CC(C)COC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Cl	REAL300019825751	1	35	-1.0	-41.75	309.02	4.61	-37.14
CN(C(=O)C1=NC=CN=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825752	0	32	-1.0	-51.38	292.74	6.66	-44.72
CN(C(=O)C1=NC=CN=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825752	1	32	-1.0	-51.26	292.88	6.67	-44.59
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019825753	0	35	-1.0	-44.58	319.37	6.46	-38.12
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019825753	1	35	-1.0	-44.46	319.51	6.44	-38.02
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825754	0	30	-2.0	-85.69	291.45	2.28	-83.41
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825754	1	30	-2.0	-85.79	291.31	2.28	-83.51
CN(C(=O)C1=CC=C(C2=CC=C(Br)S2)S1)C1=N[N-]N=N1	REAL300019825755	0	27	-1.0	-44.47	285.11	7.45	-37.02
CN(C(=O)C1=CC=C(C2=CC=C(Br)S2)S1)C1=NN=N[N-]1	REAL300019825755	1	27	-1.0	-44.55	284.96	7.45	-37.10
CC1=CC(N2CC(C(=O)N(C)C3=N[N-]N=N3)CC2=O)=CC=C1F	REAL300019825756	0	37	-1.0	-46.92	310.66	6.89	-40.03
CC1=CC(N2CC(C(=O)N(C)C3=NN=N[N-]3)CC2=O)=CC=C1F	REAL300019825756	1	37	-1.0	-47.01	310.52	6.92	-40.09
CC1=CC(Br)=CC(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825757	0	26	-1.0	-44.56	265.74	6.69	-37.87
CC1=CC(Br)=CC(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825757	1	26	-1.0	-44.64	265.61	6.70	-37.94
CN(C(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300019825758	0	31	-1.0	-48.70	281.91	4.08	-44.62
CN(C(=O)C1=CC(OC(F)F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300019825758	1	31	-1.0	-48.80	281.77	4.09	-44.71
CN(C(=O)CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)C1=N[N-]N=N1	REAL300019825759	0	37	-1.0	-56.48	336.36	3.38	-53.10
CN(C(=O)CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)C1=NN=N[N-]1	REAL300019825759	1	37	-1.0	-56.54	336.22	3.40	-53.14
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825760	0	36	-1.0	-54.98	317.62	-0.61	-55.59
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825760	1	36	-1.0	-54.94	317.76	-0.62	-55.56
CN(C(=O)C1=C(Cl)C=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300019825761	0	29	-1.0	-56.66	270.03	3.93	-52.73
CN(C(=O)C1=C(Cl)C=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300019825761	1	29	-1.0	-56.66	270.17	3.95	-52.71
CN(C)C1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)N(C)C2=NC=N1	REAL300019825762	0	36	-1.0	-45.66	292.36	5.76	-39.90
CN(C)C1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)N(C)C2=NC=N1	REAL300019825762	1	36	-1.0	-45.80	292.21	5.78	-40.02
CC(CC(=O)N(C)C1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1	REAL300019825763	0	34	-1.0	-43.79	303.83	7.62	-36.17
CC(CC(=O)N(C)C1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL300019825763	1	34	-1.0	-43.90	303.69	7.63	-36.27
CN(C(=O)C12CCC(=O)N1C1=CC=CC=C1C(=O)N2C1CC1)C1=NN=N[N-]1	REAL300019825764	0	43	-1.0	-52.87	334.30	7.04	-45.83
CN(C(=O)C12CCC(=O)N1C1=CC=CC=C1C(=O)N2C1CC1)C1=N[N-]N=N1	REAL300019825764	1	43	-1.0	-52.82	334.43	7.02	-45.80
CC1=C(C)N2C(=NC=C(C(=O)N(C)C3=NN=N[N-]3)C2=O)S1	REAL300019825765	0	31	-1.0	-59.01	280.71	5.43	-53.58
CC1=C(C)N2C(=NC=C(C(=O)N(C)C3=N[N-]N=N3)C2=O)S1	REAL300019825765	1	31	-1.0	-59.00	280.84	5.42	-53.58
COC1=CC=C(SC)C(OC)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825766	0	35	-1.0	-55.98	304.75	4.83	-51.15
COC1=CC=C(SC)C(OC)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825766	1	35	-1.0	-55.95	304.87	4.82	-51.13
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300019825767	0	33	-1.0	-48.60	299.07	7.71	-40.89
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1	REAL300019825767	1	33	-1.0	-48.58	299.22	7.69	-40.89
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019825768	0	32	-1.0	-43.83	296.66	6.49	-37.34
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019825768	1	32	-1.0	-43.71	296.80	6.48	-37.23
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825769	0	38	-1.0	-48.59	335.19	9.01	-39.58
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825769	1	38	-1.0	-48.65	335.06	9.01	-39.64
CN(C(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825770	0	41	-1.0	-45.73	347.96	7.07	-38.66
CN(C(=O)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825770	1	41	-1.0	-45.84	347.82	7.10	-38.74
CN(C(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019825771	0	30	-1.0	-48.37	291.44	5.48	-42.89
CN(C(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019825771	1	30	-1.0	-48.45	291.30	5.51	-42.94
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300019825772	0	29	-1.0	-46.10	271.35	5.71	-40.39
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300019825772	1	29	-1.0	-46.15	271.21	5.74	-40.41
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300019825773	0	26	-1.0	-45.14	253.01	6.39	-38.75
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300019825773	1	26	-1.0	-45.20	252.88	6.39	-38.81
CN(C(=O)C1=COC(C2=CC=C(Br)C=C2F)=N1)C1=NN=N[N-]1	REAL300019825774	0	29	-1.0	-44.21	288.07	5.42	-38.79
CN(C(=O)C1=COC(C2=CC=C(Br)C=C2F)=N1)C1=N[N-]N=N1	REAL300019825774	1	29	-1.0	-44.14	288.22	5.39	-38.75
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N(C)C1=N[N-]N=N1	REAL300019825775	0	38	-1.0	-54.61	313.82	6.03	-48.58
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N(C)C1=NN=N[N-]1	REAL300019825775	1	38	-1.0	-54.68	313.69	6.06	-48.62
CCC1(C(=O)N(C)C2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300019825776	0	46	-1.0	-52.39	336.25	7.66	-44.73
CCC1(C(=O)N(C)C2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300019825776	1	46	-1.0	-52.48	336.11	7.70	-44.78
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019825777	0	34	-1.0	-48.45	308.25	8.29	-40.16
CN(C(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019825777	1	34	-1.0	-48.50	308.11	8.28	-40.22
CN(C(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL300019825778	0	29	-1.0	-48.39	270.83	5.61	-42.78
CN(C(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL300019825778	1	29	-1.0	-48.33	270.97	5.60	-42.73
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC2=NC(C)=NC(N)=C12	REAL300019825779	0	32	-1.0	-44.94	274.83	3.78	-41.16
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC2=NC(C)=NC(N)=C12	REAL300019825779	1	32	-1.0	-44.85	274.97	3.79	-41.06
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825780	0	35	-1.0	-50.10	303.14	2.33	-47.77
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825780	1	35	-1.0	-50.19	303.00	2.36	-47.83
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=N[N-]N=N1	REAL300019825781	0	40	-1.0	-60.35	341.91	6.81	-53.54
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N(C)C1=NN=N[N-]1	REAL300019825781	1	40	-1.0	-60.41	341.78	6.83	-53.58
CN(C(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=N[N-]N=N1	REAL300019825782	0	34	-1.0	-52.66	303.62	6.68	-45.98
CN(C(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=NN=N[N-]1	REAL300019825782	1	34	-1.0	-52.73	303.50	6.71	-46.02
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)C1=NN=N[N-]1	REAL300019825783	0	38	-1.0	-49.16	306.25	5.46	-43.70
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)C1=N[N-]N=N1	REAL300019825783	1	38	-1.0	-49.08	306.36	5.46	-43.62
COC1=CC(C(=O)CCC(=O)N(C)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300019825784	0	43	-1.0	-47.68	363.24	5.76	-41.92
COC1=CC(C(=O)CCC(=O)N(C)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300019825784	1	43	-1.0	-47.72	363.10	5.79	-41.93
COCC1=NN=C(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)O1	REAL300019825785	0	35	-1.0	-57.65	309.58	0.61	-57.04
COCC1=NN=C(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)O1	REAL300019825785	1	35	-1.0	-57.58	309.71	0.62	-56.96
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=NN=N[N-]1	REAL300019825786	0	30	-1.0	-50.07	297.69	8.02	-42.05
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)C1=N[N-]N=N1	REAL300019825786	1	30	-1.0	-49.95	297.84	8.01	-41.94
CC1=CC=C(S(=O)(=O)NC(C(=O)N(C)C2=N[N-]N=N2)C(C)O)C=C1	REAL300019825787	0	41	-1.0	-55.02	345.51	0.46	-54.56
CC1=CC=C(S(=O)(=O)NC(C(=O)N(C)C2=NN=N[N-]2)C(C)O)C=C1	REAL300019825787	1	41	-1.0	-55.06	345.38	0.47	-54.59
CN(C(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300019825788	0	33	-1.0	-48.46	294.76	1.07	-47.39
CN(C(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300019825788	1	33	-1.0	-48.50	294.62	1.09	-47.41
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C(C2=CC=CC=C2)S1	REAL300019825789	0	32	-1.0	-51.39	295.73	6.55	-44.84
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C(C2=CC=CC=C2)S1	REAL300019825789	1	32	-1.0	-51.27	295.88	6.54	-44.73
CN(C(=O)C1=CC(Br)=CC(Br)=C1)C1=N[N-]N=N1	REAL300019825790	0	23	-1.0	-42.35	246.02	6.15	-36.20
CN(C(=O)C1=CC(Br)=CC(Br)=C1)C1=NN=N[N-]1	REAL300019825790	1	23	-1.0	-42.43	245.89	6.15	-36.28
CC(C)C1=CC=CC(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)O2)=C1	REAL300019825791	0	39	-1.0	-46.08	326.09	9.09	-36.99
CC(C)C1=CC=CC(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)O2)=C1	REAL300019825791	1	39	-1.0	-45.94	326.24	9.07	-36.87
CN(C(=O)CC(O)(C1=NC2=CC=CC=C2S1)C(F)(F)F)C1=NN=N[N-]1	REAL300019825792	0	35	-1.0	-44.95	320.54	5.04	-39.91
CN(C(=O)CC(O)(C1=NC2=CC=CC=C2S1)C(F)(F)F)C1=N[N-]N=N1	REAL300019825792	1	35	-1.0	-44.85	320.68	5.03	-39.82
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825793	0	39	-1.0	-57.78	333.15	4.11	-53.67
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825793	1	39	-1.0	-57.88	333.01	4.13	-53.75
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019825794	0	33	-1.0	-49.52	314.40	8.14	-41.38
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019825794	1	33	-1.0	-49.61	314.26	8.16	-41.45
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL300019825795	0	33	-1.0	-48.92	288.75	7.26	-41.66
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL300019825795	1	33	-1.0	-48.91	288.91	7.24	-41.67
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300019825796	0	33	-1.0	-50.71	300.45	7.68	-43.03
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300019825796	1	33	-1.0	-50.66	300.59	7.67	-42.99
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300019825797	0	39	-1.0	-49.71	326.36	8.51	-41.20
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300019825797	1	39	-1.0	-49.60	326.50	8.50	-41.10
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825798	0	40	-1.0	-50.49	333.02	8.90	-41.59
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825798	1	40	-1.0	-50.42	333.15	8.91	-41.51
CN(C(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019825799	0	39	-1.0	-44.09	313.64	5.44	-38.65
CN(C(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019825799	1	39	-1.0	-43.98	313.77	5.43	-38.55
CN(C(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300019825800	0	34	-1.0	-46.11	318.98	9.51	-36.60
CN(C(=O)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300019825800	1	34	-1.0	-46.17	318.84	9.50	-36.67
CC(C)N1C(=O)CC(C(=O)N(C)C2=N[N-]N=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300019825801	0	43	-1.0	-56.51	353.63	8.13	-48.38
CC(C)N1C(=O)CC(C(=O)N(C)C2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300019825801	1	43	-1.0	-56.62	353.49	8.14	-48.48
CC1=CC=C(SC2CCCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825802	0	40	-1.0	-52.99	326.24	9.26	-43.73
CC1=CC=C(SC2CCCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825802	1	40	-1.0	-52.97	326.36	9.25	-43.72
CN(C(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019825803	0	43	-1.0	-52.76	351.95	6.21	-46.55
CN(C(=O)CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019825803	1	43	-1.0	-52.87	351.81	6.24	-46.63
CN(C(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019825804	0	38	-1.0	-46.63	311.42	7.61	-39.02
CN(C(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019825804	1	38	-1.0	-46.74	311.28	7.61	-39.13
CN(C(=O)C1=CC=C(Br)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019825805	0	26	-1.0	-48.00	253.20	6.51	-41.49
CN(C(=O)C1=CC=C(Br)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019825805	1	26	-1.0	-48.07	253.06	6.51	-41.56
COC1=CC=CC(C2C(C(=O)N(C)C3=N[N-]N=N3)CC(=O)N2C2CC2)=C1	REAL300019825806	0	45	-1.0	-50.35	361.16	7.46	-42.89
COC1=CC=CC(C2C(C(=O)N(C)C3=NN=N[N-]3)CC(=O)N2C2CC2)=C1	REAL300019825806	1	45	-1.0	-50.44	361.02	7.49	-42.95
CN(C(=O)C1=CC=CC=C1OC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300019825807	0	35	-1.0	-60.10	315.51	8.55	-51.55
CN(C(=O)C1=CC=CC=C1OC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300019825807	1	35	-1.0	-60.06	315.64	8.54	-51.52
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2CCCCC2)=N1	REAL300019825808	0	38	-1.0	-43.85	310.08	6.59	-37.26
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2CCCCC2)=N1	REAL300019825808	1	38	-1.0	-43.93	309.93	6.61	-37.32
CC1=CC(Br)=CC=C1CC(=O)N(C)C1=N[N-]N=N1	REAL300019825809	0	29	-1.0	-46.89	267.93	7.07	-39.82
CC1=CC(Br)=CC=C1CC(=O)N(C)C1=NN=N[N-]1	REAL300019825809	1	29	-1.0	-46.96	267.80	7.10	-39.86
COC1=CC=C(N2N=C(C(=O)N(C)C3=NN=N[N-]3)C=C2C)C=C1	REAL300019825810	0	37	-1.0	-50.83	311.83	6.49	-44.34
COC1=CC=C(N2N=C(C(=O)N(C)C3=N[N-]N=N3)C=C2C)C=C1	REAL300019825810	1	37	-1.0	-50.80	311.95	6.47	-44.33
COC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCCC2)C=C1OC	REAL300019825811	0	44	-1.0	-52.52	333.81	6.74	-45.78
COC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCCC2)C=C1OC	REAL300019825811	1	44	-1.0	-52.60	333.67	6.75	-45.85
CN(C(=O)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1)C1=N[N-]N=N1	REAL300019825812	0	34	-1.0	-46.70	316.21	7.31	-39.39
CN(C(=O)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1)C1=NN=N[N-]1	REAL300019825812	1	34	-1.0	-46.75	316.06	7.34	-39.41
CC1=CC(F)=C2NC(=O)C=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL300019825813	0	32	-1.0	-43.67	287.02	4.87	-38.80
CC1=CC(F)=C2NC(=O)C=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL300019825813	1	32	-1.0	-43.59	287.16	4.88	-38.71
CN(C(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300019825814	0	39	-1.0	-52.02	335.84	7.49	-44.53
CN(C(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300019825814	1	39	-1.0	-51.94	335.97	7.47	-44.47
COCCC1=NN=C(C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)O1	REAL300019825815	0	38	-1.0	-55.49	331.21	1.40	-54.09
COCCC1=NN=C(C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)O1	REAL300019825815	1	38	-1.0	-55.55	331.07	1.39	-54.16
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N(C)C3=N[N-]N=N3)=NO2)=C1	REAL300019825816	0	38	-1.0	-54.45	334.18	6.70	-47.75
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N(C)C3=NN=N[N-]3)=NO2)=C1	REAL300019825816	1	38	-1.0	-54.52	334.04	6.72	-47.80
CN(C(=O)C1=CC(Cl)=CC=C1SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019825817	0	34	-1.0	-45.09	332.46	9.99	-35.10
CN(C(=O)C1=CC(Cl)=CC=C1SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019825817	1	34	-1.0	-45.13	332.29	10.00	-35.13
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825818	0	35	-1.0	-48.90	310.19	8.02	-40.88
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825818	1	35	-1.0	-48.89	310.33	8.01	-40.88
CN(C(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019825819	0	50	-1.0	-62.12	390.59	7.30	-54.82
CN(C(=O)COCC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019825819	1	50	-1.0	-62.21	390.46	7.33	-54.88
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825820	0	40	-1.0	-51.45	322.86	9.50	-41.95
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825820	1	40	-1.0	-51.39	323.02	9.49	-41.90
CCC1=C2NC3=C(CCOC3(CC)CC(=O)N(C)C3=N[N-]N=N3)C2=CC=C1	REAL300019825821	0	50	-1.0	-48.08	388.25	9.66	-38.42
CCC1=C2NC3=C(CCOC3(CC)CC(=O)N(C)C3=NN=N[N-]3)C2=CC=C1	REAL300019825821	1	50	-1.0	-48.12	388.11	9.67	-38.45
CN(C(=O)C1CC(=O)N(C)C1C1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300019825822	0	37	-1.0	-50.65	327.51	7.12	-43.53
CN(C(=O)C1CC(=O)N(C)C1C1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300019825822	1	37	-1.0	-50.75	327.38	7.16	-43.59
CC1=CC=CC(C2=NOC(SCC(=O)N(C)C3=NN=N[N-]3)=N2)=C1	REAL300019825823	0	35	-1.0	-47.60	323.82	5.80	-41.80
CC1=CC=CC(C2=NOC(SCC(=O)N(C)C3=N[N-]N=N3)=N2)=C1	REAL300019825823	1	35	-1.0	-47.57	323.96	5.77	-41.80
CN(C(=O)C1=CC(Br)=NC=C1F)C1=NN=N[N-]1	REAL300019825824	0	22	-1.0	-43.94	226.16	3.76	-40.18
CN(C(=O)C1=CC(Br)=NC=C1F)C1=N[N-]N=N1	REAL300019825824	1	22	-1.0	-43.83	226.30	3.76	-40.07
CN(C(=O)C1(C2=CC=C(F)C=C2F)CCCC1)C1=N[N-]N=N1	REAL300019825825	0	36	-1.0	-43.72	281.75	7.89	-35.83
CN(C(=O)C1(C2=CC=C(F)C=C2F)CCCC1)C1=NN=N[N-]1	REAL300019825825	1	36	-1.0	-43.81	281.65	7.89	-35.92
CC1=NC(COC2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=NO1	REAL300019825826	0	35	-1.0	-57.07	305.07	3.70	-53.37
CC1=NC(COC2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=NO1	REAL300019825826	1	35	-1.0	-57.14	304.93	3.70	-53.44
CCC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019825827	0	35	-1.0	-55.95	295.53	3.78	-52.17
CCC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019825827	1	35	-1.0	-56.40	295.07	3.80	-52.60
CN(C(=O)C1CC(=O)N(C)C1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019825828	0	37	-1.0	-45.56	312.58	6.67	-38.89
CN(C(=O)C1CC(=O)N(C)C1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019825828	1	37	-1.0	-45.65	312.44	6.68	-38.97
COC1=C(Br)SC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825829	0	24	-1.0	-42.22	244.17	3.88	-38.34
COC1=C(Br)SC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825829	1	24	-1.0	-42.29	244.02	3.88	-38.41
CN(C(=O)C1COC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL300019825830	0	28	-1.0	-49.14	261.08	5.44	-43.70
CN(C(=O)C1COC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL300019825830	1	28	-1.0	-49.23	260.95	5.47	-43.76
CN(C)S(=O)(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=CO1	REAL300019825831	0	31	-1.0	-49.06	281.37	1.01	-48.05
CN(C)S(=O)(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=CO1	REAL300019825831	1	31	-1.0	-49.18	281.22	1.02	-48.16
CN(C(=O)C1=CN=CC(I)=C1)C1=NN=N[N-]1	REAL300019825832	0	22	-1.0	-42.37	225.55	4.25	-38.12
CN(C(=O)C1=CN=CC(I)=C1)C1=N[N-]N=N1	REAL300019825832	1	22	-1.0	-42.71	225.76	4.15	-38.56
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N(C)C1=N[N-]N=N1)C2=O	REAL300019825833	0	44	-1.0	-53.53	340.67	5.54	-47.99
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N(C)C1=NN=N[N-]1)C2=O	REAL300019825833	1	44	-1.0	-53.56	340.53	5.57	-47.99
COC1=CC=C(COCCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825834	0	40	-1.0	-52.85	336.30	6.13	-46.72
COC1=CC=C(COCCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825834	1	40	-1.0	-52.98	336.17	6.17	-46.81
CN(C(=O)C1=CC(Br)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300019825835	0	28	-1.0	-55.18	261.92	6.24	-48.94
CN(C(=O)C1=CC(Br)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300019825835	1	28	-1.0	-55.14	262.06	6.24	-48.90
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019825836	0	41	-1.0	-49.41	337.51	9.46	-39.95
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019825836	1	41	-1.0	-49.41	337.38	9.48	-39.93
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825837	0	32	-1.0	-49.03	292.06	7.43	-41.60
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825837	1	32	-1.0	-48.98	292.19	7.43	-41.55
CN(C(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=N[N-]N=N1	REAL300019825838	0	32	-1.0	-56.80	289.87	6.69	-50.11
CN(C(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NN=N[N-]1	REAL300019825838	1	32	-1.0	-56.90	289.73	6.72	-50.18
CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019825839	0	46	-1.0	-50.99	362.01	6.82	-44.17
CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019825839	1	46	-1.0	-51.01	361.87	6.85	-44.16
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300019825840	0	33	-1.0	-52.55	297.70	7.79	-44.76
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300019825840	1	33	-1.0	-52.46	297.86	7.79	-44.67
CN(C(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=NN=N[N-]1	REAL300019825841	0	29	-1.0	-49.21	279.99	5.90	-43.31
CN(C(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=N[N-]N=N1	REAL300019825841	1	29	-1.0	-49.12	280.14	5.87	-43.25
CN(C(=O)C1=C(N2C=CC=C2)SC2=C1CCC2)C1=NN=N[N-]1	REAL300019825842	0	35	-1.0	-53.21	303.65	9.03	-44.18
CN(C(=O)C1=C(N2C=CC=C2)SC2=C1CCC2)C1=N[N-]N=N1	REAL300019825842	1	35	-1.0	-53.10	303.81	9.04	-44.06
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N(C)C1=N[N-]N=N1	REAL300019825843	0	39	-1.0	-53.05	328.79	7.61	-45.44
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N(C)C1=NN=N[N-]1	REAL300019825843	1	39	-1.0	-53.13	328.65	7.65	-45.48
CC(SC1=NC2=CC=CC=C2S1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825844	0	32	-1.0	-46.48	296.45	6.94	-39.54
CC(SC1=NC2=CC=CC=C2S1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825844	1	32	-1.0	-46.42	296.58	6.90	-39.52
CN(C(=O)C1=CC2=CC(I)=CC=C2N1)C1=N[N-]N=N1	REAL300019825845	0	27	-1.0	-44.02	262.03	6.60	-37.42
CN(C(=O)C1=CC2=CC(I)=CC=C2N1)C1=NN=N[N-]1	REAL300019825845	1	27	-1.0	-44.11	261.89	6.63	-37.48
CN(C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825846	0	46	-1.0	-58.69	357.18	6.72	-51.97
CN(C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825846	1	46	-1.0	-58.77	357.05	6.75	-52.02
CC1=CC(F)=CC=C1N1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL300019825847	0	32	-1.0	-44.42	282.10	6.08	-38.34
CC1=CC(F)=CC=C1N1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL300019825847	1	32	-1.0	-44.32	282.25	6.06	-38.26
COC1=CC=CC(C2=NC(C(=O)N(C)C3=NN=N[N-]3)=C(C)N2)=C1	REAL300019825848	0	37	-1.0	-52.90	312.21	6.21	-46.69
COC1=CC=CC(C2=NC(C(=O)N(C)C3=N[N-]N=N3)=C(C)N2)=C1	REAL300019825848	1	37	-1.0	-52.76	312.40	6.19	-46.57
COC1=CC=CC(C2=NC(C)=C(C(=O)N(C)C3=NN=N[N-]3)N2)=C1	REAL300019825848	1	37	-1.0	-47.59	309.61	5.94	-41.65
COC1=CC=CC(C2=NC(C)=C(C(=O)N(C)C3=N[N-]N=N3)N2)=C1	REAL300019825848	1	37	-1.0	-47.56	309.76	5.93	-41.63
CN(C(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=N[N-]N=N1	REAL300019825849	0	36	-1.0	-57.37	323.44	1.07	-56.30
CN(C(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=NN=N[N-]1	REAL300019825849	1	36	-1.0	-57.45	323.31	1.09	-56.36
CN(C(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=NN=N[N-]1	REAL300019825850	0	30	-1.0	-49.95	283.25	8.81	-41.14
CN(C(=O)C1=CN(C2=CC=C(Br)C=C2)C=N1)C1=N[N-]N=N1	REAL300019825850	1	30	-1.0	-49.87	283.40	8.80	-41.07
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)N1	REAL300019825851	0	36	-1.0	-52.57	321.96	7.90	-44.67
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)N1	REAL300019825851	1	36	-1.0	-52.72	321.78	7.92	-44.80
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019825851	1	36	-1.0	-44.66	327.28	7.00	-37.66
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019825851	1	36	-1.0	-44.57	327.44	6.99	-37.58
CN(C(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019825852	0	40	-1.0	-51.77	323.36	7.92	-43.85
CN(C(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019825852	1	40	-1.0	-51.85	323.24	7.92	-43.93
CN(C(=O)CC1=CNC2=CC=CC(Br)=C12)C1=N[N-]N=N1	REAL300019825853	0	30	-1.0	-52.29	277.73	6.45	-45.84
CN(C(=O)CC1=CNC2=CC=CC(Br)=C12)C1=NN=N[N-]1	REAL300019825853	1	30	-1.0	-52.39	277.59	6.49	-45.90
CN(C(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=NN=N[N-]1	REAL300019825854	0	32	-1.0	-46.23	285.80	6.21	-40.02
CN(C(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=N[N-]N=N1	REAL300019825854	1	32	-1.0	-46.14	285.94	6.19	-39.95
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825855	0	46	-1.0	-43.68	364.42	6.31	-37.37
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825855	1	46	-1.0	-43.77	364.28	6.33	-37.44
CN(C(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=NN=N[N-]1	REAL300019825856	0	38	-1.0	-32.25	302.21	4.73	-27.52
CN(C(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1)C1=N[N-]N=N1	REAL300019825856	1	38	-1.0	-32.19	302.35	4.72	-27.47
CN(C(=O)C12CCC(CC1Br)C2)C1=N[N-]N=N1	REAL300019825857	0	30	-1.0	-49.89	248.67	5.98	-43.91
CN(C(=O)C12CCC(CC1Br)C2)C1=NN=N[N-]1	REAL300019825857	1	30	-1.0	-49.92	248.54	6.01	-43.91
CN(C(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019825858	0	33	-1.0	-52.52	296.31	8.67	-43.85
CN(C(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019825858	1	33	-1.0	-52.43	296.45	8.67	-43.76
CCS(=O)(=O)C1=CC=C(CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825859	0	38	-1.0	-52.70	333.42	5.20	-47.50
CCS(=O)(=O)C1=CC=C(CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825859	1	38	-1.0	-52.80	333.29	5.23	-47.57
CN(C(=O)COC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825860	0	33	-1.0	-48.26	316.58	7.87	-40.39
CN(C(=O)COC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825860	1	33	-1.0	-48.29	316.45	7.90	-40.39
CN(C(=O)CC1=CC=C(S(=O)(=O)N2CCOCC2)S1)C1=N[N-]N=N1	REAL300019825861	0	39	-1.0	-54.73	350.62	2.70	-52.03
CN(C(=O)CC1=CC=C(S(=O)(=O)N2CCOCC2)S1)C1=NN=N[N-]1	REAL300019825861	1	39	-1.0	-54.78	350.49	2.74	-52.04
CN(C(=O)C1=CC=C(Br)C=C1N1C=NC=N1)C1=NN=N[N-]1	REAL300019825862	0	29	-1.0	-53.81	275.82	8.55	-45.26
CN(C(=O)C1=CC=C(Br)C=C1N1C=NC=N1)C1=N[N-]N=N1	REAL300019825862	1	29	-1.0	-53.70	275.97	8.54	-45.16
CN(C(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=N[N-]N=N1	REAL300019825863	0	35	-1.0	-52.94	327.84	8.70	-44.24
CN(C(=O)C1=CC=C(OC2=CC=CC=C2C#N)C(Cl)=C1)C1=NN=N[N-]1	REAL300019825863	1	35	-1.0	-52.99	327.71	8.69	-44.30
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1)C1=N[N-]N=N1	REAL300019825864	0	39	-1.0	-48.53	333.13	9.24	-39.29
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1)C1=NN=N[N-]1	REAL300019825864	1	39	-1.0	-48.57	333.00	9.25	-39.32
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C=C1	REAL300019825865	0	39	-1.0	-50.80	332.11	8.20	-42.60
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C=C1	REAL300019825865	1	39	-1.0	-50.83	331.97	8.22	-42.61
CN(C(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825866	0	39	-1.0	-34.95	312.20	3.65	-31.30
CN(C(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825866	1	39	-1.0	-35.05	312.07	3.64	-31.41
CN(C(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019825867	0	36	-1.0	-54.21	323.56	7.98	-46.23
CN(C(=O)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019825867	1	36	-1.0	-54.09	323.71	7.99	-46.10
COC(=O)CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825868	0	38	-1.0	-47.56	347.65	8.27	-39.29
COC(=O)CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825868	1	38	-1.0	-47.64	347.52	8.28	-39.36
CN(C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019825869	0	37	-1.0	-51.93	313.75	6.92	-45.01
CN(C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019825869	1	37	-1.0	-52.03	313.42	6.92	-45.11
CC(C)CC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825870	0	44	-1.0	-48.96	353.96	10.24	-38.72
CC(C)CC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825870	1	44	-1.0	-49.01	353.83	10.28	-38.73
COC1=CC=C(CCCC(=O)N(C)C2=N[N-]N=N2)C(OC)=C1	REAL300019825871	0	40	-1.0	-52.15	330.56	6.22	-45.93
COC1=CC=C(CCCC(=O)N(C)C2=NN=N[N-]2)C(OC)=C1	REAL300019825871	1	40	-1.0	-52.22	330.42	6.25	-45.97
CN(C(=O)C1=CC(I)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019825872	0	25	-1.0	-43.11	259.11	6.69	-36.42
CN(C(=O)C1=CC(I)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019825872	1	25	-1.0	-43.14	258.97	6.68	-36.46
CC1=NN(C2=CC=CC=N2)C2=NC(C3CC3)=CC(C(=O)N(C)C3=NN=N[N-]3)=C12	REAL300019825873	0	44	-1.0	-49.68	367.73	9.35	-40.33
CC1=NN(C2=CC=CC=N2)C2=NC(C3CC3)=CC(C(=O)N(C)C3=N[N-]N=N3)=C12	REAL300019825873	1	44	-1.0	-49.60	367.86	9.34	-40.26
CN(C(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825874	0	26	-1.0	-42.55	263.14	6.53	-36.02
CN(C(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825874	1	26	-1.0	-42.56	263.00	6.51	-36.05
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825875	0	36	-1.0	-46.92	325.87	6.51	-40.41
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825875	1	36	-1.0	-47.02	325.73	6.52	-40.50
CC1=NN(C2=CC=C(Br)C=C2)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825876	0	33	-1.0	-46.70	303.01	7.33	-39.37
CC1=NN(C2=CC=C(Br)C=C2)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825876	1	33	-1.0	-46.73	302.87	7.36	-39.37
CCC1=CSC(N2C=C(C(=O)N(C)C3=NN=N[N-]3)C=N2)=N1	REAL300019825877	0	32	-1.0	-49.44	290.68	5.66	-43.78
CCC1=CSC(N2C=C(C(=O)N(C)C3=N[N-]N=N3)C=N2)=N1	REAL300019825877	1	32	-1.0	-49.34	290.82	5.63	-43.71
CN(C(=O)C1CCCCC1(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825878	0	49	-1.0	-48.58	354.18	6.38	-42.20
CN(C(=O)C1CCCCC1(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825878	1	49	-1.0	-48.68	354.05	6.40	-42.28
CC1=CC=C(C2=NC(C(=O)N(C)C3=NN=N[N-]3)=CS2)N1C	REAL300019825879	0	33	-1.0	-50.18	291.30	6.38	-43.80
CC1=CC=C(C2=NC(C(=O)N(C)C3=N[N-]N=N3)=CS2)N1C	REAL300019825879	1	33	-1.0	-50.16	291.45	6.37	-43.79
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1CCOC1CCCCO1	REAL300019825880	0	44	-1.0	-47.94	353.91	5.42	-42.52
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1CCOC1CCCCO1	REAL300019825880	1	44	-1.0	-48.02	353.77	5.45	-42.57
CN(C(=O)CCC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300019825881	0	29	-1.0	-46.47	278.01	7.43	-39.04
CN(C(=O)CCC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300019825881	1	29	-1.0	-46.52	277.88	7.46	-39.06
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019825882	0	33	-1.0	-50.19	316.52	8.38	-41.81
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019825882	1	33	-1.0	-50.29	316.39	8.38	-41.91
CN(C(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019825883	0	34	-1.0	-55.78	324.86	8.36	-47.42
CN(C(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019825883	1	34	-1.0	-55.88	324.73	8.39	-47.49
CN(C(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300019825884	0	34	-1.0	-49.96	291.84	6.52	-43.44
CN(C(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300019825884	1	34	-1.0	-50.08	291.69	6.52	-43.56
CN(C(=O)C1=CC2=CC=CC=C2C=C1OC(F)F)C1=NN=N[N-]1	REAL300019825885	0	33	-1.0	-50.73	289.05	7.41	-43.32
CN(C(=O)C1=CC2=CC=CC=C2C=C1OC(F)F)C1=N[N-]N=N1	REAL300019825885	1	33	-1.0	-50.64	289.19	7.40	-43.24
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL300019825886	0	35	-1.0	-50.89	311.15	5.98	-44.91
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL300019825886	1	35	-1.0	-50.94	311.02	6.01	-44.93
CN(C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825887	0	56	-1.0	-53.70	443.58	5.76	-47.94
CN(C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825887	1	56	-1.0	-53.77	443.44	5.78	-47.99
CN(C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1)C1=N[N-]N=N1	REAL300019825888	0	52	-1.0	-55.29	379.05	6.56	-48.73
CN(C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1)C1=NN=N[N-]1	REAL300019825888	1	52	-1.0	-55.37	378.91	6.57	-48.80
CCS(=O)(=O)C1=CC=CC(CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825889	0	35	-1.0	-59.51	312.03	4.37	-55.14
CCS(=O)(=O)C1=CC=CC(CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825889	1	35	-1.0	-59.56	311.89	4.41	-55.15
CN(C(=O)CCC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300019825890	0	39	-1.0	-48.93	331.11	5.79	-43.14
CN(C(=O)CCC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300019825890	1	39	-1.0	-49.03	330.98	5.82	-43.21
CC1=CC(C)=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825891	0	29	-1.0	-48.63	257.71	6.73	-41.90
CC1=CC(C)=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825891	1	29	-1.0	-48.73	257.57	6.73	-42.00
COCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300019825892	0	37	-1.0	-49.29	310.00	5.71	-43.58
COCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300019825892	1	37	-1.0	-49.16	310.25	5.70	-43.46
CN(C(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300019825893	0	34	-1.0	-42.73	282.53	7.28	-35.45
CN(C(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300019825893	1	34	-1.0	-42.77	282.39	7.28	-35.49
CN(C(=O)C1=CC=C(I)C(O)=C1)C1=N[N-]N=N1	REAL300019825894	0	24	-1.0	-45.79	240.82	3.22	-42.57
CN(C(=O)C1=CC=C(I)C(O)=C1)C1=NN=N[N-]1	REAL300019825894	1	24	-1.0	-45.90	240.68	3.21	-42.69
CN(C(=O)C1=CC=C(I)C([O-])=C1)C1=N[N-]N=N1	REAL300019825894	1	23	-2.0	-85.81	236.36	3.97	-81.84
CN(C(=O)C1=CC=C(I)C([O-])=C1)C1=NN=N[N-]1	REAL300019825894	1	23	-2.0	-85.80	236.22	3.96	-81.84
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825895	0	37	-1.0	-32.88	305.48	8.55	-24.33
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825895	1	37	-1.0	-32.92	305.33	8.56	-24.36
CN(C(=O)C1=C(F)C=CC=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825896	0	34	-1.0	-54.65	314.85	9.18	-45.47
CN(C(=O)C1=C(F)C=CC=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825896	1	34	-1.0	-54.57	314.99	9.16	-45.41
CN(C(=O)CN(CCNC(=O)OC(C)(C)C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825897	0	54	-1.0	-52.68	418.82	5.08	-47.60
CN(C(=O)CN(CCNC(=O)OC(C)(C)C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825897	1	54	-1.0	-52.78	418.69	5.11	-47.67
CN(C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NN=N[N-]1	REAL300019825898	0	30	-1.0	-46.34	273.35	6.82	-39.52
CN(C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=N[N-]N=N1	REAL300019825898	1	30	-1.0	-46.29	273.49	6.80	-39.49
CN(C(=O)CCNC(=O)C1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825899	0	50	-1.0	-65.66	400.25	4.77	-60.89
CN(C(=O)CCNC(=O)C1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825899	1	50	-1.0	-65.71	400.12	4.79	-60.92
CN(C(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300019825900	0	32	-1.0	-47.66	302.42	5.13	-42.53
CN(C(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300019825900	1	32	-1.0	-47.60	302.56	5.11	-42.49
CN(C(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=NN=N[N-]1	REAL300019825901	0	33	-1.0	-63.25	301.91	6.47	-56.78
CN(C(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=N[N-]N=N1	REAL300019825901	1	33	-1.0	-63.15	302.06	6.45	-56.70
CC1=NC=CC(NCC2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=N1	REAL300019825902	0	39	-1.0	-53.31	330.26	6.39	-46.92
CC1=NC=CC(NCC2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=N1	REAL300019825902	1	39	-1.0	-53.37	330.12	6.39	-46.98
CN(C(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300019825903	0	28	-2.0	-84.52	272.91	1.13	-83.39
CN(C(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300019825903	1	28	-2.0	-84.45	273.04	1.14	-83.31
CN(C(=O)C1=CC=CC(SC2=CC=C(Cl)C=C2)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019825904	0	36	-1.0	-59.30	348.58	10.50	-48.80
CN(C(=O)C1=CC=CC(SC2=CC=C(Cl)C=C2)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019825904	1	36	-1.0	-59.41	348.45	10.53	-48.88
CN(C(=O)C1=CC=C([N+](=O)[O-])C(SC2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300019825905	0	36	-1.0	-44.46	343.48	10.05	-34.41
CN(C(=O)C1=CC=C([N+](=O)[O-])C(SC2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300019825905	1	36	-1.0	-44.57	343.34	10.06	-34.51
CN(C(=O)C1CC2CN(C(=O)OC(C)(C)C)CC(C1)C2=O)C1=N[N-]N=N1	REAL300019825906	0	49	-1.0	-36.76	360.05	7.00	-29.76
CN(C(=O)C1CC2CN(C(=O)OC(C)(C)C)CC(C1)C2=O)C1=NN=N[N-]1	REAL300019825906	1	49	-1.0	-36.86	359.90	7.02	-29.84
CN(C(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300019825907	0	33	-1.0	-46.73	289.95	4.95	-41.78
CN(C(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300019825907	1	33	-1.0	-46.69	290.08	4.93	-41.76
CN(C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019825908	0	48	-1.0	-42.89	375.95	6.07	-36.82
CN(C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019825908	1	48	-1.0	-42.97	375.81	6.09	-36.88
CN(C(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300019825909	0	40	-1.0	-63.10	337.43	6.54	-56.56
CN(C(=O)CCCC(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300019825909	1	40	-1.0	-63.27	337.29	6.58	-56.69
CN(C(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019825910	0	42	-1.0	-48.41	346.02	3.52	-44.89
CN(C(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019825910	1	42	-1.0	-48.50	345.88	3.53	-44.97
CN(C(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL300019825911	0	33	-1.0	-49.92	299.14	6.37	-43.55
CN(C(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL300019825911	1	33	-1.0	-49.97	299.00	6.38	-43.59
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825912	0	37	-1.0	-47.82	325.17	7.05	-40.77
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825912	1	37	-1.0	-47.77	325.31	7.02	-40.75
CN(C(=O)C1=C(Cl)C=CC=C1I)C1=N[N-]N=N1	REAL300019825913	0	23	-1.0	-48.27	251.14	6.53	-41.74
CN(C(=O)C1=C(Cl)C=CC=C1I)C1=NN=N[N-]1	REAL300019825913	1	23	-1.0	-48.32	251.00	6.52	-41.80
CN(C(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019825914	0	35	-1.0	-49.77	311.49	8.56	-41.21
CN(C(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019825914	1	35	-1.0	-49.86	311.35	8.59	-41.27
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825915	0	43	-1.0	-55.77	336.76	9.10	-46.67
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825915	1	43	-1.0	-55.91	336.63	9.13	-46.78
CC1=C(Br)C=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)N1	REAL300019825916	0	26	-1.0	-58.26	253.43	3.13	-55.13
CC1=C(Br)C=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)N1	REAL300019825916	1	26	-1.0	-58.31	253.29	3.14	-55.17
CCNS(=O)(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825917	0	37	-1.0	-54.83	327.50	3.00	-51.83
CCNS(=O)(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825917	1	37	-1.0	-54.92	327.37	3.03	-51.89
CN(C(=O)C1=CC=CC(I)=C1[O-])C1=N[N-]N=N1	REAL300019825918	0	23	-2.0	-106.59	233.63	5.40	-101.19
CN(C(=O)C1=CC=CC(I)=C1[O-])C1=NN=N[N-]1	REAL300019825918	1	23	-2.0	-106.62	233.49	5.40	-101.22
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1)C1=N[N-]N=N1	REAL300019825919	0	42	-1.0	-49.11	357.74	10.12	-38.99
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1)C1=NN=N[N-]1	REAL300019825919	1	42	-1.0	-49.17	357.61	10.13	-39.04
CN(C(=O)C1=CC(Cl)=CC=C1SC1CCCC1)C1=N[N-]N=N1	REAL300019825920	0	37	-1.0	-49.37	321.68	9.09	-40.28
CN(C(=O)C1=CC(Cl)=CC=C1SC1CCCC1)C1=NN=N[N-]1	REAL300019825920	1	37	-1.0	-49.46	321.56	9.10	-40.36
CNS(=O)(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825921	0	34	-1.0	-55.14	306.47	2.14	-53.00
CNS(=O)(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825921	1	34	-1.0	-55.25	306.33	2.17	-53.08
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL300019825922	0	30	-1.0	-46.97	287.87	7.77	-39.20
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL300019825922	1	30	-1.0	-47.03	287.72	7.76	-39.27
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019825923	0	33	-1.0	-56.87	282.30	7.64	-49.23
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019825923	1	33	-1.0	-56.88	282.44	7.63	-49.25
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019825924	0	34	-1.0	-43.70	298.61	7.44	-36.26
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019825924	1	34	-1.0	-43.73	298.47	7.47	-36.26
CN(C(=O)C1=CC=C(Cl)C=C1SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019825925	0	34	-1.0	-45.87	332.11	10.01	-35.86
CN(C(=O)C1=CC=C(Cl)C=C1SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019825925	1	34	-1.0	-46.00	331.96	10.02	-35.98
COC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCC2)C=C1OC	REAL300019825926	0	41	-1.0	-50.39	321.95	6.32	-44.07
COC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCC2)C=C1OC	REAL300019825926	1	41	-1.0	-50.47	321.82	6.34	-44.13
CCCCSC1=CC=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825927	0	36	-1.0	-48.86	323.75	8.86	-40.00
CCCCSC1=CC=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825927	1	36	-1.0	-48.91	323.61	8.86	-40.05
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1SC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300019825928	0	37	-1.0	-48.34	348.45	10.05	-38.29
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1SC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019825928	1	37	-1.0	-48.44	348.34	10.06	-38.38
CCC(CC)(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(OC)C(OC)=C1	REAL300019825929	0	46	-1.0	-33.65	335.04	6.41	-27.24
CCC(CC)(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(OC)C(OC)=C1	REAL300019825929	1	46	-1.0	-33.72	334.90	6.43	-27.29
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300019825930	0	37	-1.0	-49.64	336.64	10.18	-39.46
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300019825930	1	37	-1.0	-49.55	336.78	10.17	-39.38
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825931	0	44	-1.0	-57.07	344.66	7.74	-49.33
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825931	1	44	-1.0	-57.16	344.52	7.76	-49.40
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825932	0	34	-2.0	-110.11	307.75	1.21	-108.90
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825932	1	34	-2.0	-110.19	307.62	1.23	-108.96
CN(C(=O)CSC1=NN=C(C2=CC=CN=C2)N1CC1=CC=CO1)C1=N[N-]N=N1	REAL300019825933	0	42	-1.0	-50.69	372.85	8.19	-42.50
CN(C(=O)CSC1=NN=C(C2=CC=CN=C2)N1CC1=CC=CO1)C1=NN=N[N-]1	REAL300019825933	1	42	-1.0	-50.72	372.72	8.21	-42.51
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1CC1=CC=CO1)C1=N[N-]N=N1	REAL300019825934	0	42	-1.0	-49.13	375.60	8.44	-40.69
CN(C(=O)CSC1=NN=C(C2=CC=NC=C2)N1CC1=CC=CO1)C1=NN=N[N-]1	REAL300019825934	1	42	-1.0	-49.18	375.47	8.46	-40.72
CN(C(=O)C1=NC=C(Br)C=C1Br)C1=NN=N[N-]1	REAL300019825935	0	22	-1.0	-43.64	236.85	5.44	-38.20
CN(C(=O)C1=NC=C(Br)C=C1Br)C1=N[N-]N=N1	REAL300019825935	1	22	-1.0	-43.55	236.99	5.43	-38.12
CN(C(=O)C1=C(F)C=CC=C1SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019825936	0	34	-1.0	-51.42	329.97	9.66	-41.76
CN(C(=O)C1=C(F)C=CC=C1SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019825936	1	34	-1.0	-51.39	330.13	9.65	-41.74
CN(C(=O)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019825937	0	34	-1.0	-45.28	321.98	9.55	-35.73
CN(C(=O)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019825937	1	34	-1.0	-45.26	322.13	9.54	-35.72
CN(C(=O)C1=CC(Cl)=CC=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825938	0	34	-1.0	-47.87	315.68	9.32	-38.55
CN(C(=O)C1=CC(Cl)=CC=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825938	1	34	-1.0	-47.78	315.79	9.30	-38.48
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825939	0	37	-1.0	-48.18	336.98	10.15	-38.03
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825939	1	37	-1.0	-48.13	337.12	10.13	-38.00
CC1=C(C(=O)N(C)C2=NN=N[N-]2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019825940	0	32	-1.0	-44.46	313.71	6.53	-37.93
CC1=C(C(=O)N(C)C2=N[N-]N=N2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019825940	1	32	-1.0	-44.39	313.85	6.52	-37.87
CN(C(=O)C1=CC=CC(F)=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825941	0	34	-1.0	-53.15	307.75	9.05	-44.10
CN(C(=O)C1=CC=CC(F)=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019825941	1	34	-1.0	-53.05	307.89	9.04	-44.01
CN(C(=O)C1(C)CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019825942	0	46	-1.0	-45.17	332.09	7.02	-38.15
CN(C(=O)C1(C)CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019825942	1	46	-1.0	-45.22	331.95	7.05	-38.17
COC1=CC=C(C(=O)CCCCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825943	0	41	-1.0	-50.38	343.78	7.48	-42.90
COC1=CC=C(C(=O)CCCCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825943	1	41	-1.0	-50.45	343.65	7.51	-42.94
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825944	0	39	-1.0	-56.67	333.56	7.55	-49.12
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825944	1	39	-1.0	-56.67	333.75	7.54	-49.13
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825945	0	38	-1.0	-57.08	329.67	5.01	-52.07
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825945	1	38	-1.0	-57.11	329.54	5.03	-52.08
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019825946	0	33	-2.0	-120.27	305.87	5.59	-114.68
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019825946	1	33	-2.0	-120.30	305.72	5.61	-114.69
CN(C(=O)CCC1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300019828202	0	26	-1.0	-44.92	263.16	6.59	-38.33
CN(C(=O)CCC1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300019828202	1	26	-1.0	-44.98	263.03	6.63	-38.35
CN(C(=O)C1C2=C(CCN1C(=O)OC(C)(C)C)N(C)N=C2)C1=N[N-]N=N1	REAL300019828203	0	47	-1.0	-52.65	367.94	6.00	-46.65
CN(C(=O)C1C2=C(CCN1C(=O)OC(C)(C)C)N(C)N=C2)C1=NN=N[N-]1	REAL300019828203	1	47	-1.0	-52.71	367.81	6.03	-46.68
C[C@@H]1CC[C@H](C(=O)N(C)C2=N[N-]N=N2)N(C(=O)OC(C)(C)C)C1	REAL300019828204	0	46	-1.0	-59.72	344.09	7.56	-52.16
C[C@@H]1CC[C@H](C(=O)N(C)C2=NN=N[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300019828204	1	46	-1.0	-59.83	343.95	7.59	-52.24
CN(C(=O)C1CC2(CC2)CCC1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828205	0	50	-1.0	-49.05	378.11	7.00	-42.05
CN(C(=O)C1CC2(CC2)CCC1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828205	1	50	-1.0	-49.22	377.98	7.03	-42.19
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC(C(F)F)C1)C1=N[N-]N=N1	REAL300019828206	0	43	-1.0	-52.41	347.56	5.53	-46.88
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC(C(F)F)C1)C1=NN=N[N-]1	REAL300019828206	1	43	-1.0	-52.50	347.43	5.57	-46.93
COC1=CC=C(Br)C(F)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828207	0	27	-1.0	-52.97	265.23	5.10	-47.87
COC1=CC=C(Br)C(F)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828207	1	27	-1.0	-53.05	265.09	5.11	-47.94
CN(C(=O)C1=NN(C2=CC=C(C(C)(C)C)C=C2)C(=O)CC1)C1=N[N-]N=N1	REAL300019828208	0	46	-1.0	-42.83	367.71	8.58	-34.25
CN(C(=O)C1=NN(C2=CC=C(C(C)(C)C)C=C2)C(=O)CC1)C1=NN=N[N-]1	REAL300019828208	1	46	-1.0	-42.90	367.57	8.60	-34.30
CC1=CC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)N2CC2CC2)S1	REAL300019828209	0	37	-1.0	-45.80	314.64	8.84	-36.96
CC1=CC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)N2CC2CC2)S1	REAL300019828209	1	37	-1.0	-45.76	314.78	8.85	-36.91
CN(C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1)C1=N[N-]N=N1	REAL300019828210	0	57	-1.0	-60.80	394.47	6.49	-54.31
CN(C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1)C1=NN=N[N-]1	REAL300019828210	1	57	-1.0	-60.91	394.34	6.50	-54.41
COC1=CC=C2CC(C(=O)N(C)C3=NN=N[N-]3)N(C(=O)OC(C)(C)C)C2=N1	REAL300019828211	0	47	-1.0	-60.54	381.31	6.18	-54.36
COC1=CC=C2CC(C(=O)N(C)C3=N[N-]N=N3)N(C(=O)OC(C)(C)C)C2=N1	REAL300019828211	1	47	-1.0	-60.51	381.45	6.15	-54.36
CN(C(=O)C(CC1CCOC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828212	0	47	-1.0	-47.37	358.01	4.07	-43.30
CN(C(=O)C(CC1CCOC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828212	1	47	-1.0	-47.45	357.86	4.08	-43.37
COC1=CN=C(C(F)(F)F)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828213	0	29	-1.0	-46.46	268.09	4.30	-42.16
COC1=CN=C(C(F)(F)F)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828213	1	29	-1.0	-46.33	268.23	4.30	-42.03
CN(C(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F)C1=NN=N[N-]1	REAL300019828214	0	30	-1.0	-46.80	279.88	6.84	-39.96
CN(C(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F)C1=N[N-]N=N1	REAL300019828214	1	30	-1.0	-46.70	280.01	6.83	-39.87
CN(C(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=N[N-]N=N1	REAL300019828215	0	38	-1.0	-48.03	309.40	6.92	-41.11
CN(C(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NN=N[N-]1	REAL300019828215	1	38	-1.0	-48.12	309.26	6.91	-41.21
CN(C(=O)CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)C1=NN=N[N-]1	REAL300019828216	0	33	-1.0	-54.27	316.89	7.06	-47.21
CN(C(=O)CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)C1=N[N-]N=N1	REAL300019828216	1	33	-1.0	-54.18	317.03	7.03	-47.15
CCOC1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=NC=C1	REAL300019828217	0	32	-1.0	-48.90	285.42	4.60	-44.30
CCOC1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=NC=C1	REAL300019828217	1	32	-1.0	-48.83	285.56	4.60	-44.23
CC1=NC(C2CCOCC2)=NC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828218	0	38	-1.0	-42.36	307.64	4.22	-38.14
CC1=NC(C2CCOCC2)=NC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828218	1	38	-1.0	-42.41	307.50	4.22	-38.19
CN(C(=O)C1=NN(C2CCN(C(=O)OC(C)(C)C)CC2)C=C1)C1=NN=N[N-]1	REAL300019828219	0	50	-1.0	-52.73	392.35	7.32	-45.41
CN(C(=O)C1=NN(C2CCN(C(=O)OC(C)(C)C)CC2)C=C1)C1=N[N-]N=N1	REAL300019828219	1	50	-1.0	-52.71	392.49	7.31	-45.40
COC(=O)CC[C@H](CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019828220	0	48	-1.0	-53.10	385.06	5.34	-47.76
COC(=O)CC[C@H](CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019828220	1	48	-1.0	-53.21	384.92	5.36	-47.85
CN(C(=O)C1N(C(=O)OC(C)(C)C)CCC12CC2)C1=N[N-]N=N1	REAL300019828221	0	44	-1.0	-58.18	344.55	6.61	-51.57
CN(C(=O)C1N(C(=O)OC(C)(C)C)CCC12CC2)C1=NN=N[N-]1	REAL300019828221	1	44	-1.0	-58.28	344.41	6.63	-51.65
CN(C(=O)C1(C2=CCN(C(=O)OC(C)(C)C)CC2)CC1)C1=N[N-]N=N1	REAL300019828222	0	48	-1.0	-50.86	372.94	7.72	-43.14
CN(C(=O)C1(C2=CCN(C(=O)OC(C)(C)C)CC2)CC1)C1=NN=N[N-]1	REAL300019828222	1	48	-1.0	-50.91	372.80	7.74	-43.17
CN(C(=O)C12CCN(C(=O)OC(C)(C)C)C1CCCCC2)C1=N[N-]N=N1	REAL300019828223	0	53	-1.0	-51.99	367.39	6.51	-45.48
CN(C(=O)C12CCN(C(=O)OC(C)(C)C)C1CCCCC2)C1=NN=N[N-]1	REAL300019828223	1	53	-1.0	-52.12	367.26	6.52	-45.60
CN(C(=O)C1(NC(=O)OC(C)(C)C)CCCCCC1)C1=N[N-]N=N1	REAL300019828224	0	49	-1.0	-55.29	348.95	7.44	-47.85
CN(C(=O)C1(NC(=O)OC(C)(C)C)CCCCCC1)C1=NN=N[N-]1	REAL300019828224	1	49	-1.0	-55.37	348.82	7.44	-47.93
CN(C(=O)[C@@H](COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828225	0	50	-1.0	-39.49	403.49	6.24	-33.25
CN(C(=O)[C@@H](COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828225	1	50	-1.0	-39.55	403.34	6.24	-33.31
CN(C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019828226	0	49	-1.0	-50.36	371.50	5.77	-44.59
CN(C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019828226	1	49	-1.0	-50.42	371.36	5.81	-44.61
CN(C(=O)[C@H](COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828227	0	50	-1.0	-58.09	404.06	5.94	-52.15
CN(C(=O)[C@H](COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828227	1	50	-1.0	-58.21	403.93	5.97	-52.24
CN(C(=O)C1=CC2=C(CCCN(C(=O)OC(C)(C)C)C2)O1)C1=N[N-]N=N1	REAL300019828228	0	47	-1.0	-51.89	370.87	7.59	-44.30
CN(C(=O)C1=CC2=C(CCCN(C(=O)OC(C)(C)C)C2)O1)C1=NN=N[N-]1	REAL300019828228	1	47	-1.0	-51.95	370.72	7.61	-44.34
CN(C(=O)C(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019828229	0	52	-1.0	-34.31	368.83	6.97	-27.34
CN(C(=O)C(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019828229	1	52	-1.0	-34.43	368.70	6.97	-27.46
CN(C(=O)C1(C2=C(F)C=CC=C2Cl)CCC1)C1=N[N-]N=N1	REAL300019828230	0	33	-1.0	-48.27	277.30	7.38	-40.89
CN(C(=O)C1(C2=C(F)C=CC=C2Cl)CCC1)C1=NN=N[N-]1	REAL300019828230	1	33	-1.0	-48.32	277.16	7.41	-40.91
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C)=C(Br)O1	REAL300019828231	0	26	-1.0	-43.20	254.85	5.36	-37.84
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C)=C(Br)O1	REAL300019828231	1	26	-1.0	-43.28	254.71	5.37	-37.91
CC1=CC(C)=C(C(NC(=O)OC(C)(C)C)C(=O)N(C)C2=N[N-]N=N2)C(C)=C1	REAL300019828232	0	52	-1.0	-51.07	392.70	7.92	-43.15
CC1=CC(C)=C(C(NC(=O)OC(C)(C)C)C(=O)N(C)C2=NN=N[N-]2)C(C)=C1	REAL300019828232	1	52	-1.0	-51.11	392.56	7.93	-43.18
CN(C(=O)C1=CON=C1C1(CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019828233	0	46	-1.0	-51.05	376.37	4.92	-46.13
CN(C(=O)C1=CON=C1C1(CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019828233	1	46	-1.0	-50.91	376.50	4.92	-45.99
CN(C(=O)[C@H]1[C@H]2CCC[C@H]2CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828234	0	47	-1.0	-59.38	352.27	6.92	-52.46
CN(C(=O)[C@H]1[C@H]2CCC[C@H]2CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828234	1	47	-1.0	-59.47	352.13	6.94	-52.53
COC1=CC=C(C23CC(CC2)C3C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019828235	0	41	-1.0	-50.82	322.06	7.87	-42.95
COC1=CC=C(C23CC(CC2)C3C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019828235	1	41	-1.0	-50.84	321.93	7.89	-42.95
CN(C(=O)C1=CC2=C(C=C(Br)O2)N1)C1=N[N-]N=N1	REAL300019828236	0	24	-1.0	-43.57	236.35	4.32	-39.25
CN(C(=O)C1=CC2=C(C=C(Br)O2)N1)C1=NN=N[N-]1	REAL300019828236	1	24	-1.0	-43.61	236.20	4.33	-39.28
CN(C(=O)C1CCC(=O)N1CCC(F)(F)F)C1=N[N-]N=N1	REAL300019828237	0	33	-1.0	-49.32	287.51	4.94	-44.38
CN(C(=O)C1CCC(=O)N1CCC(F)(F)F)C1=NN=N[N-]1	REAL300019828237	1	33	-1.0	-49.43	287.38	4.96	-44.47
CC1=C(Cl)C=C(Br)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828238	0	26	-1.0	-41.95	257.94	6.59	-35.36
CC1=C(Cl)C=C(Br)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828238	1	26	-1.0	-42.01	257.80	6.61	-35.40
CC(C)C1=C(C(=O)N(C)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300019828239	0	32	-1.0	-49.61	294.77	6.44	-43.17
CC(C)C1=C(C(=O)N(C)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300019828239	1	32	-1.0	-49.69	294.61	6.45	-43.24
CN(C(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=N[N-]N=N1	REAL300019828240	0	38	-1.0	-48.03	309.40	6.92	-41.11
CN(C(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NN=N[N-]1	REAL300019828240	1	38	-1.0	-48.12	309.26	6.91	-41.21
CN(C(=O)C1(CC2=CC=C(F)C=C2)CCCO1)C1=N[N-]N=N1	REAL300019828241	0	37	-1.0	-56.09	296.64	7.91	-48.18
CN(C(=O)C1(CC2=CC=C(F)C=C2)CCCO1)C1=NN=N[N-]1	REAL300019828241	1	37	-1.0	-56.19	296.50	7.92	-48.27
COC1=CC=C(N2N=CC(C(=O)N(C)C3=NN=N[N-]3)=C2C(C)C)C=C1	REAL300019828242	0	43	-1.0	-46.54	343.02	6.86	-39.68
COC1=CC=C(N2N=CC(C(=O)N(C)C3=N[N-]N=N3)=C2C(C)C)C=C1	REAL300019828242	1	43	-1.0	-46.43	343.19	6.85	-39.58
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300019828243	0	32	-1.0	-48.50	306.74	7.55	-40.95
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300019828243	1	32	-1.0	-48.42	306.88	7.54	-40.88
CN(C(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=N[N-]N=N1	REAL300019828244	0	36	-1.0	-57.71	304.02	2.73	-54.98
CN(C(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=NN=N[N-]1	REAL300019828244	1	36	-1.0	-57.38	304.36	2.81	-54.57
COC(=O)C1=CC2=C(S1)SC(C(=O)N(C)C1=N[N-]N=N1)=C2	REAL300019828245	0	29	-1.0	-45.21	284.89	6.06	-39.15
COC(=O)C1=CC2=C(S1)SC(C(=O)N(C)C1=NN=N[N-]1)=C2	REAL300019828245	1	29	-1.0	-45.34	284.74	6.07	-39.27
CN(C(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=NN=N[N-]1	REAL300019828246	0	32	-1.0	-54.33	290.09	5.31	-49.02
CN(C(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O)C1=N[N-]N=N1	REAL300019828246	1	32	-1.0	-53.98	290.80	5.33	-48.65
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1I	REAL300019828247	0	27	-1.0	-44.64	259.28	5.37	-39.27
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1I	REAL300019828247	1	27	-1.0	-44.70	259.15	5.37	-39.33
CN(C(=O)C1=C(Cl)C=C(C(F)(F)F)C=C1Br)C1=N[N-]N=N1	REAL300019828248	0	26	-1.0	-42.65	283.66	7.06	-35.59
CN(C(=O)C1=C(Cl)C=C(C(F)(F)F)C=C1Br)C1=NN=N[N-]1	REAL300019828248	1	26	-1.0	-42.69	283.51	7.05	-35.64
CN(C(=O)CCC1=C(C2=CC=C(F)C=C2)NC2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL300019828249	0	43	-1.0	-47.24	383.10	10.77	-36.47
CN(C(=O)CCC1=C(C2=CC=C(F)C=C2)NC2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL300019828249	1	43	-1.0	-47.30	382.97	10.80	-36.50
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)OC2=CC=C(Br)C=C21	REAL300019828250	0	32	-1.0	-42.98	294.02	7.88	-35.10
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)OC2=CC=C(Br)C=C21	REAL300019828250	1	32	-1.0	-43.10	293.88	7.90	-35.20
COC1=CC=C(C(CC(=O)N(C)C2=N[N-]N=N2)C(F)F)C=C1	REAL300019828251	0	36	-1.0	-46.27	303.58	6.59	-39.68
COC1=CC=C(C(CC(=O)N(C)C2=NN=N[N-]2)C(F)F)C=C1	REAL300019828251	1	36	-1.0	-46.29	303.44	6.62	-39.67
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C(C2=CC=C(F)C=C2)S1	REAL300019828252	0	32	-1.0	-50.17	302.46	6.51	-43.66
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C(C2=CC=C(F)C=C2)S1	REAL300019828252	1	32	-1.0	-50.12	302.62	6.50	-43.62
CN(C(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019828253	0	37	-1.0	-36.72	301.84	5.42	-31.30
CN(C(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019828253	1	37	-1.0	-48.03	304.19	5.39	-42.64
CN(C(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300019828254	0	40	-1.0	-60.26	331.77	3.50	-56.76
CN(C(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300019828254	1	40	-1.0	-60.35	331.63	3.52	-56.83
CN(C(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828255	0	44	-1.0	-56.55	354.99	5.81	-50.74
CN(C(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828255	1	44	-1.0	-56.69	354.85	5.83	-50.86
CC1=CC(F)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1I	REAL300019828256	0	26	-1.0	-43.63	247.61	6.56	-37.07
CC1=CC(F)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1I	REAL300019828256	1	26	-1.0	-43.65	247.47	6.55	-37.10
CN(C(=O)C1=CC=C(OC2=CC=C(Br)C=N2)C=C1)C1=NN=N[N-]1	REAL300019828257	0	33	-1.0	-47.88	309.58	5.88	-42.00
CN(C(=O)C1=CC=C(OC2=CC=C(Br)C=N2)C=C1)C1=N[N-]N=N1	REAL300019828257	1	33	-1.0	-47.85	309.72	5.88	-41.97
CN(C(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828258	0	43	-1.0	-46.60	338.07	4.70	-41.90
CN(C(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828258	1	43	-1.0	-46.72	337.92	4.73	-41.99
CN(C(=O)C(CC1=CC=CS1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828259	0	43	-1.0	-33.98	340.90	5.17	-28.81
CN(C(=O)C(CC1=CC=CS1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828259	1	43	-1.0	-34.03	340.76	5.18	-28.85
CN(C(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828260	0	46	-1.0	-50.31	365.55	5.60	-44.71
CN(C(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828260	1	46	-1.0	-50.39	365.41	5.63	-44.76
CN(C(=O)CCCCCCCCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828261	0	57	-1.0	-51.65	446.86	8.21	-43.44
CN(C(=O)CCCCCCCCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828261	1	57	-1.0	-51.77	446.72	8.25	-43.52
CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828262	0	43	-1.0	-48.19	351.82	2.88	-45.31
CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828262	1	43	-1.0	-48.27	351.69	2.91	-45.36
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=C(N)C(OC)=C1OC	REAL300019828263	0	37	-1.0	-43.91	310.69	2.38	-41.53
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=C(N)C(OC)=C1OC	REAL300019828263	1	37	-1.0	-43.81	310.84	2.38	-41.43
CN(C(=O)C1=CC(I)=CC=C1N)C1=N[N-]N=N1	REAL300019828264	0	25	-1.0	-43.27	244.00	4.10	-39.17
CN(C(=O)C1=CC(I)=CC=C1N)C1=NN=N[N-]1	REAL300019828264	1	25	-1.0	-43.35	243.86	4.13	-39.22
CN(C(=O)C1=CC(Br)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019828265	0	25	-1.0	-40.45	255.73	4.36	-36.09
CN(C(=O)C1=CC(Br)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019828265	1	25	-1.0	-40.51	255.58	4.36	-36.15
CC1=CC(Br)=C(N)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019828266	0	28	-1.0	-43.61	255.69	4.42	-39.19
CC1=CC(Br)=C(N)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019828266	1	28	-1.0	-43.52	255.84	4.41	-39.11
CN(C(=O)C1=CC(F)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019828267	0	25	-1.0	-40.67	240.85	3.82	-36.85
CN(C(=O)C1=CC(F)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019828267	1	25	-1.0	-40.77	240.70	3.83	-36.94
CN(C(=O)C1=CC=CC(I)=C1N)C1=N[N-]N=N1	REAL300019828268	0	25	-1.0	-44.09	240.64	4.20	-39.89
CN(C(=O)C1=CC=CC(I)=C1N)C1=NN=N[N-]1	REAL300019828268	1	25	-1.0	-44.19	240.50	4.23	-39.96
CN(C(=O)C1=CC(Br)=CC(F)=C1N)C1=N[N-]N=N1	REAL300019828269	0	25	-1.0	-40.65	242.70	3.76	-36.89
CN(C(=O)C1=CC(Br)=CC(F)=C1N)C1=NN=N[N-]1	REAL300019828269	1	25	-1.0	-40.69	242.56	3.76	-36.93
CC1=CC(Br)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1N	REAL300019828270	0	28	-1.0	-43.50	254.88	4.44	-39.06
CC1=CC(Br)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1N	REAL300019828270	1	28	-1.0	-43.39	255.03	4.42	-38.97
CN(C(=O)C1=CC(Br)=C(F)C=C1N)C1=N[N-]N=N1	REAL300019828271	0	25	-1.0	-40.95	242.94	3.71	-37.24
CN(C(=O)C1=CC(Br)=C(F)C=C1N)C1=NN=N[N-]1	REAL300019828271	1	25	-1.0	-41.02	242.80	3.70	-37.32
CN(C(=O)C1=CC(Cl)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300019828272	0	25	-1.0	-40.58	251.16	4.26	-36.32
CN(C(=O)C1=CC(Cl)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300019828272	1	25	-1.0	-40.62	251.01	4.27	-36.35
CC1=CN(C2=CC(C(=O)N(C)C3=NN=N[N-]3)=C(N)C=C2F)N=C1	REAL300019828273	0	35	-1.0	-45.59	299.63	4.87	-40.72
CC1=CN(C2=CC(C(=O)N(C)C3=N[N-]N=N3)=C(N)C=C2F)N=C1	REAL300019828273	1	35	-1.0	-45.58	299.78	4.85	-40.73
COC1=CC(N)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019828274	0	35	-1.0	-52.10	303.05	0.41	-51.69
COC1=CC(N)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019828274	1	35	-1.0	-52.00	303.20	0.39	-51.61
CC1=C(Br)C=CC(C(=O)N(C)C2=NN=N[N-]2)=C1N	REAL300019828275	0	28	-1.0	-42.90	251.61	4.35	-38.55
CC1=C(Br)C=CC(C(=O)N(C)C2=N[N-]N=N2)=C1N	REAL300019828275	1	28	-1.0	-42.83	251.77	4.34	-38.49
CN(C(=O)C1=CC(Br)=CC(N)=C1N)C1=NN=N[N-]1	REAL300019828276	0	27	-1.0	-43.99	248.92	1.81	-42.18
CN(C(=O)C1=CC(Br)=CC(N)=C1N)C1=N[N-]N=N1	REAL300019828276	1	27	-1.0	-43.93	249.06	1.81	-42.12
CN(C(=O)C1=CC(F)=C(Br)C=C1N)C1=N[N-]N=N1	REAL300019828277	0	25	-1.0	-41.11	242.95	3.72	-37.39
CN(C(=O)C1=CC(F)=C(Br)C=C1N)C1=NN=N[N-]1	REAL300019828277	1	25	-1.0	-41.20	242.80	3.72	-37.48
COC1=CC(Br)=C(N)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019828278	0	29	-1.0	-43.26	263.90	3.05	-40.21
COC1=CC(Br)=C(N)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019828278	1	29	-1.0	-43.31	263.75	3.05	-40.26
CN(C(=O)C1=CC(F)=CC(I)=C1N)C1=N[N-]N=N1	REAL300019828279	0	25	-1.0	-40.50	246.78	4.30	-36.20
CN(C(=O)C1=CC(F)=CC(I)=C1N)C1=NN=N[N-]1	REAL300019828279	1	25	-1.0	-40.58	246.63	4.31	-36.27
COC1=CC(N)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Br	REAL300019828280	0	29	-1.0	-44.12	266.81	2.98	-41.14
COC1=CC(N)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Br	REAL300019828280	1	29	-1.0	-44.19	266.05	3.02	-41.17
CN(C(=O)C1=CC=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL300019828281	0	25	-1.0	-41.73	241.97	3.74	-37.99
CN(C(=O)C1=CC=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL300019828281	1	25	-1.0	-41.79	241.81	3.75	-38.04
COC1=C(N)C(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=C1Br	REAL300019828282	0	29	-1.0	-40.25	284.39	3.62	-36.63
COC1=C(N)C(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=C1Br	REAL300019828282	1	29	-1.0	-40.30	284.24	3.65	-36.65
COC1=CC(OC)=C(C(=O)N(C)C2=NN=N[N-]2)C(N)=C1Cl	REAL300019828283	0	33	-1.0	-48.32	294.58	2.26	-46.06
COC1=CC(OC)=C(C(=O)N(C)C2=N[N-]N=N2)C(N)=C1Cl	REAL300019828283	1	33	-1.0	-48.28	294.72	2.25	-46.03
CN(C(=O)C1=CC=C(Br)C(Cl)=N1)C1=NN=N[N-]1	REAL300019828284	0	22	-1.0	-42.48	235.57	5.18	-37.30
CN(C(=O)C1=CC=C(Br)C(Cl)=N1)C1=N[N-]N=N1	REAL300019828284	1	22	-1.0	-42.44	235.71	5.16	-37.28
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019828285	0	38	-1.0	-35.97	329.61	-0.23	-36.20
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019828285	1	38	-1.0	-36.09	329.50	-0.21	-36.30
CN(C(=O)C1(C)CC(NC(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019828286	0	47	-1.0	-55.10	354.23	3.82	-51.28
CN(C(=O)C1(C)CC(NC(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019828286	1	47	-1.0	-55.14	354.09	3.83	-51.31
CN(C(=O)CCC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL300019828287	0	26	-1.0	-45.86	260.36	6.34	-39.52
CN(C(=O)CCC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL300019828287	1	26	-1.0	-45.96	260.22	6.38	-39.58
CN(C(=O)C1=CN(C)C=C(Br)C1=O)C1=N[N-]N=N1	REAL300019828288	0	26	-1.0	-67.35	256.91	4.99	-62.36
CN(C(=O)C1=CN(C)C=C(Br)C1=O)C1=NN=N[N-]1	REAL300019828288	1	26	-1.0	-67.43	256.77	5.00	-62.43
CN(C(=O)C1CCC(Br)=CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828289	0	41	-1.0	-53.77	341.82	7.69	-46.08
CN(C(=O)C1CCC(Br)=CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828289	1	41	-1.0	-53.82	341.68	7.71	-46.11
CC(=O)CC1(C(=O)N(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019828290	0	48	-1.0	-66.76	367.79	5.85	-60.91
CC(=O)CC1(C(=O)N(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019828290	1	48	-1.0	-66.83	367.66	5.85	-60.98
COC1(C(F)(F)C(=O)N(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019828291	0	47	-1.0	-41.75	367.63	5.55	-36.20
COC1(C(F)(F)C(=O)N(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019828291	1	47	-1.0	-41.80	367.49	5.57	-36.23
CN(C(=O)C1=NN=C2C(Br)=CC=CN12)C1=NN=N[N-]1	REAL300019828292	0	25	-1.0	-46.14	245.95	6.43	-39.71
CN(C(=O)C1=NN=C2C(Br)=CC=CN12)C1=N[N-]N=N1	REAL300019828292	1	25	-1.0	-46.07	246.10	6.40	-39.67
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019828293	0	34	-1.0	-43.57	297.79	5.97	-37.60
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019828293	1	34	-1.0	-43.49	297.93	5.96	-37.53
CN(C(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=N[N-]N=N1	REAL300019828294	0	33	-2.0	-80.79	305.21	5.61	-75.18
CN(C(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=NN=N[N-]1	REAL300019828294	1	33	-2.0	-80.82	305.07	5.63	-75.19
CN(C(=O)C1=CC2=C([N-]1)SC(Br)=N2)C1=N[N-]N=N1	REAL300019828295	0	22	-2.0	-87.98	240.37	3.13	-84.85
CN(C(=O)C1=CC2=C([N-]1)SC(Br)=N2)C1=NN=N[N-]1	REAL300019828295	1	22	-2.0	-88.02	240.22	3.14	-84.88
CN(C(=O)C1=CC2=C(N1)SC(Br)=N2)C1=N[N-]N=N1	REAL300019828295	1	23	-1.0	-43.37	241.11	3.28	-40.09
CN(C(=O)C1=CC2=C(N1)SC(Br)=N2)C1=NN=N[N-]1	REAL300019828295	1	23	-1.0	-43.42	240.97	3.28	-40.14
CC1=NSC(Br)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828296	0	22	-1.0	-41.00	235.69	3.95	-37.05
CC1=NSC(Br)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828296	1	22	-1.0	-41.07	235.55	3.98	-37.09
COC(=O)C1=CC(OC)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1Cl	REAL300019828297	0	33	-1.0	-51.27	299.27	5.26	-46.01
COC(=O)C1=CC(OC)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1Cl	REAL300019828297	1	33	-1.0	-51.32	299.14	5.26	-46.06
CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828298	0	40	-1.0	-52.39	327.39	1.14	-51.25
CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828298	1	40	-1.0	-52.48	327.25	1.17	-51.31
CC1=NC(C(=O)N(C)C2=N[N-]N=N2)=C(NC(=O)OC(C)(C)C)O1	REAL300019828299	0	39	-1.0	-46.05	324.24	2.30	-43.75
CC1=NC(C(=O)N(C)C2=NN=N[N-]2)=C(NC(=O)OC(C)(C)C)O1	REAL300019828299	1	39	-1.0	-46.08	324.09	2.33	-43.75
CN(C(=O)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019828300	0	25	-1.0	-55.48	261.70	6.49	-48.99
CN(C(=O)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019828300	1	25	-1.0	-55.57	261.57	6.49	-49.08
CN(C(=O)C1=CC2=C(S1)SC(S(N)(=O)=O)=C2)C1=N[N-]N=N1	REAL300019828301	0	28	-1.0	-48.98	285.88	0.27	-48.71
CN(C(=O)C1=CC2=C(S1)SC(S(N)(=O)=O)=C2)C1=NN=N[N-]1	REAL300019828301	1	28	-1.0	-49.10	285.73	0.28	-48.82
COC(=O)C1C(F)(F)C12CC(C(=O)N(C)C1=N[N-]N=N1)C2	REAL300019828302	0	33	-1.0	-51.72	292.99	6.41	-45.31
COC(=O)C1C(F)(F)C12CC(C(=O)N(C)C1=NN=N[N-]1)C2	REAL300019828302	1	33	-1.0	-51.79	292.85	6.44	-45.35
CN(C(=O)C(O)CC1=CC=NC=C1Br)C1=N[N-]N=N1	REAL300019828303	0	29	-1.0	-44.04	264.81	3.00	-41.04
CN(C(=O)C(O)CC1=CC=NC=C1Br)C1=NN=N[N-]1	REAL300019828303	1	29	-1.0	-44.03	264.67	3.02	-41.01
CN(C(=O)C1(C2=CC=CC=C2)CC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=N[N-]N=N1	REAL300019828304	0	54	-1.0	-52.32	420.46	9.20	-43.12
CN(C(=O)C1(C2=CC=CC=C2)CC2(CN(C(=O)OC(C)(C)C)C2)C1)C1=NN=N[N-]1	REAL300019828304	1	54	-1.0	-52.42	420.33	9.22	-43.20
CN(C(=O)C(NS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019828305	0	41	-1.0	-50.66	356.69	5.03	-45.63
CN(C(=O)C(NS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019828305	1	41	-1.0	-50.55	356.83	5.00	-45.55
CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828306	0	40	-1.0	-48.31	324.40	1.24	-47.07
CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828306	1	40	-1.0	-48.30	324.27	1.25	-47.05
CN(C(=O)C1=CC=C(Br)C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300019828307	0	25	-1.0	-42.56	255.14	5.69	-36.87
CN(C(=O)C1=CC=C(Br)C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300019828307	1	25	-1.0	-42.52	255.28	5.66	-36.86
CN(C(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828308	0	44	-1.0	-44.69	345.65	6.06	-38.63
CN(C(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828308	1	44	-1.0	-44.74	345.52	6.08	-38.66
CC1=C(I)C(C(=O)N(C)C2=N[N-]N=N2)=NO1	REAL300019828309	0	22	-1.0	-43.70	227.78	4.76	-38.94
CC1=C(I)C(C(=O)N(C)C2=NN=N[N-]2)=NO1	REAL300019828309	1	22	-1.0	-43.75	227.64	4.77	-38.98
CN(C(=O)C1=CON=C1C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828310	0	43	-1.0	-50.29	356.51	5.54	-44.75
CN(C(=O)C1=CON=C1C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828310	1	43	-1.0	-50.39	356.36	5.56	-44.83
CN(C(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828311	0	37	-1.0	-43.70	310.87	3.34	-40.36
CN(C(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828311	1	37	-1.0	-43.81	310.72	3.36	-40.45
CN(C(=O)C1=C(C2C3CC2N(C(=O)OC(C)(C)C)C3)OC=N1)C1=NN=N[N-]1	REAL300019828312	0	47	-1.0	-51.47	376.21	5.44	-46.03
CN(C(=O)C1=C(C2C3CC2N(C(=O)OC(C)(C)C)C3)OC=N1)C1=N[N-]N=N1	REAL300019828312	1	47	-1.0	-51.43	376.35	5.41	-46.02
CN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=N[N-]N=N1	REAL300019828313	0	44	-1.0	-59.03	350.15	2.65	-56.38
CN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1=NN=N[N-]1	REAL300019828313	1	44	-1.0	-59.14	350.02	2.68	-56.46
CN(C(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828314	0	44	-1.0	-44.69	345.65	6.06	-38.63
CN(C(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828314	1	44	-1.0	-44.74	345.52	6.08	-38.66
COC(CF)(OC)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019828315	0	37	-1.0	-46.65	303.47	5.38	-41.27
COC(CF)(OC)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019828315	1	37	-1.0	-46.72	303.32	5.37	-41.35
CN(C(=O)C1=CC=CC(C2(F)CN(C(=O)OC(C)(C)C)C2)=C1)C1=N[N-]N=N1	REAL300019828316	0	47	-1.0	-57.95	383.57	7.74	-50.21
CN(C(=O)C1=CC=CC(C2(F)CN(C(=O)OC(C)(C)C)C2)=C1)C1=NN=N[N-]1	REAL300019828316	1	47	-1.0	-57.93	383.44	7.74	-50.19
CN(C(=O)COC1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300019828317	0	38	-1.0	-55.61	321.18	2.40	-53.21
CN(C(=O)COC1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300019828317	1	38	-1.0	-55.72	321.04	2.43	-53.29
CN(C(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL300019828318	0	34	-1.0	-53.81	300.93	8.66	-45.15
CN(C(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL300019828318	1	34	-1.0	-53.77	301.08	8.66	-45.11
CN(C(=O)C1=NN(CC(F)(F)F)C=C1Br)C1=NN=N[N-]1	REAL300019828319	0	26	-1.0	-53.23	266.37	5.37	-47.86
CN(C(=O)C1=NN(CC(F)(F)F)C=C1Br)C1=N[N-]N=N1	REAL300019828319	1	26	-1.0	-53.16	266.52	5.36	-47.80
CN(C(=O)CCC1=CSC(Br)=C1)C1=N[N-]N=N1	REAL300019828320	0	26	-1.0	-45.23	262.92	6.44	-38.79
CN(C(=O)CCC1=CSC(Br)=C1)C1=NN=N[N-]1	REAL300019828320	1	26	-1.0	-45.33	262.78	6.46	-38.87
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300019828321	0	40	-1.0	-51.33	330.10	8.50	-42.83
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL300019828321	1	40	-1.0	-51.26	330.24	8.50	-42.76
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)C1=N[N-]N=N1	REAL300019828322	0	30	-1.0	-49.76	292.52	8.31	-41.45
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)C1=NN=N[N-]1	REAL300019828322	1	30	-1.0	-49.86	292.39	8.33	-41.53
CCOC1=CC=C2NC(C(=O)N(C)C3=NN=N[N-]3)=C(C)C2=C1	REAL300019828323	0	37	-1.0	-46.62	303.15	6.40	-40.22
CCOC1=CC=C2NC(C(=O)N(C)C3=N[N-]N=N3)=C(C)C2=C1	REAL300019828323	1	37	-1.0	-46.48	303.29	6.39	-40.09
COC1=CC=CC(Br)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828324	0	27	-1.0	-53.33	258.46	4.99	-48.34
COC1=CC=CC(Br)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828324	1	27	-1.0	-53.44	258.32	5.00	-48.44
CN(C(=O)C1=C(F)C=CC(Br)=C1Cl)C1=N[N-]N=N1	REAL300019828325	0	23	-1.0	-48.54	250.59	6.16	-42.38
CN(C(=O)C1=C(F)C=CC(Br)=C1Cl)C1=NN=N[N-]1	REAL300019828325	1	23	-1.0	-48.58	250.45	6.18	-42.40
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300019828326	0	43	-1.0	-44.57	371.70	6.38	-38.19
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300019828326	1	43	-1.0	-44.62	371.56	6.42	-38.20
C#CCC1(C(=O)N(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019828327	0	48	-1.0	-51.91	361.76	7.12	-44.79
C#CCC1(C(=O)N(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300019828327	1	48	-1.0	-52.00	361.62	7.14	-44.86
COC(=O)C1=C2C=C(C(=O)N(C)C3=NN=N[N-]3)SC2=CC=C1	REAL300019828328	0	32	-1.0	-55.58	289.91	6.76	-48.82
COC(=O)C1=C2C=C(C(=O)N(C)C3=N[N-]N=N3)SC2=CC=C1	REAL300019828328	1	32	-1.0	-55.53	290.05	6.76	-48.77
CN(C(=O)C1CCS(=O)(=O)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828329	0	43	-1.0	-65.74	347.64	2.69	-63.05
CN(C(=O)C1CCS(=O)(=O)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828329	1	43	-1.0	-65.83	347.50	2.72	-63.11
CN(C(=O)C1C2=CN(C)N=C2CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828330	0	47	-1.0	-59.15	369.96	6.51	-52.64
CN(C(=O)C1C2=CN(C)N=C2CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828330	1	47	-1.0	-59.28	369.83	6.54	-52.74
CN(C(=O)C1CC2(CN1C(=O)OC(C)(C)C)CCOCC2)C1=N[N-]N=N1	REAL300019828331	0	51	-1.0	-55.94	384.41	5.84	-50.10
CN(C(=O)C1CC2(CN1C(=O)OC(C)(C)C)CCOCC2)C1=NN=N[N-]1	REAL300019828331	1	51	-1.0	-56.07	384.27	5.88	-50.19
CN(C(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)OC2(C)C)C1=N[N-]N=N1	REAL300019828332	0	51	-1.0	-47.34	384.35	4.00	-43.34
CN(C(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)OC2(C)C)C1=NN=N[N-]1	REAL300019828332	1	51	-1.0	-47.47	384.21	4.01	-43.46
CN(C(=O)C12CC3(C)CC(C)(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL300019828333	0	44	-1.0	-33.58	305.04	4.32	-29.26
CN(C(=O)C12CC3(C)CC(C)(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL300019828333	1	44	-1.0	-33.64	304.93	4.34	-29.30
CN(C(=O)C(CC1=CC=CC=C1)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828334	0	47	-1.0	-53.46	384.05	7.63	-45.83
CN(C(=O)C(CC1=CC=CC=C1)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828334	1	47	-1.0	-53.49	383.91	7.66	-45.83
CN(C(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828335	0	43	-1.0	-54.10	343.50	4.64	-49.46
CN(C(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828335	1	43	-1.0	-54.17	343.37	4.67	-49.50
CN(C(=O)C1=CC=C2C(=C1)OCCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828336	0	45	-1.0	-50.10	354.11	6.44	-43.66
CN(C(=O)C1=CC=C2C(=C1)OCCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828336	1	45	-1.0	-50.19	353.97	6.43	-43.76
CN(C(=O)C1=CC=C(Br)C2=CC=CN=C12)C1=NN=N[N-]1	REAL300019828337	0	28	-1.0	-53.76	259.68	6.15	-47.61
CN(C(=O)C1=CC=C(Br)C2=CC=CN=C12)C1=N[N-]N=N1	REAL300019828337	1	28	-1.0	-53.67	259.82	6.13	-47.54
CN(C(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300019828338	0	29	-1.0	-56.96	265.85	4.97	-51.99
CN(C(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300019828338	1	29	-1.0	-57.02	265.71	4.97	-52.05
C[C@@H](CC(=O)N(C)C1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019828339	0	36	-1.0	-46.68	310.69	6.98	-39.70
C[C@@H](CC(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019828339	1	36	-1.0	-46.72	310.55	7.00	-39.72
CN(C(=O)C1(CNC(=O)OC(C)(C)C)COC1)C1=N[N-]N=N1	REAL300019828340	0	41	-1.0	-48.35	318.54	2.59	-45.76
CN(C(=O)C1(CNC(=O)OC(C)(C)C)COC1)C1=NN=N[N-]1	REAL300019828340	1	41	-1.0	-48.41	318.41	2.60	-45.81
CN(C(=O)C1=CC=C(C2(F)CN(C(=O)OC(C)(C)C)C2)C=C1)C1=N[N-]N=N1	REAL300019828341	0	47	-1.0	-51.69	383.31	7.84	-43.85
CN(C(=O)C1=CC=C(C2(F)CN(C(=O)OC(C)(C)C)C2)C=C1)C1=NN=N[N-]1	REAL300019828341	1	47	-1.0	-51.76	383.18	7.83	-43.93
CN(C(=O)CC1=CNC2=CC(OCC3=CC=CC=C3)=CC=C12)C1=N[N-]N=N1	REAL300019828342	0	44	-1.0	-53.45	372.96	9.29	-44.16
CN(C(=O)CC1=CNC2=CC(OCC3=CC=CC=C3)=CC=C12)C1=NN=N[N-]1	REAL300019828342	1	44	-1.0	-53.52	372.83	9.32	-44.20
CN(C(=O)C1COC2=C(Br)C=CC=C2C1)C1=N[N-]N=N1	REAL300019828343	0	31	-1.0	-43.90	275.17	6.22	-37.68
CN(C(=O)C1COC2=C(Br)C=CC=C2C1)C1=NN=N[N-]1	REAL300019828343	1	31	-1.0	-44.00	275.03	6.25	-37.75
CCCN1C(=O)CC(C(=O)N(C)C2=N[N-]N=N2)C1C1=CC=CC=C1	REAL300019828344	0	43	-1.0	-48.31	342.83	8.04	-40.27
CCCN1C(=O)CC(C(=O)N(C)C2=NN=N[N-]2)C1C1=CC=CC=C1	REAL300019828344	1	43	-1.0	-48.34	342.70	8.06	-40.28
COC1=CC=C(F)C=C1CC1(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL300019828345	0	37	-1.0	-49.41	310.68	7.43	-41.98
COC1=CC=C(F)C=C1CC1(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL300019828345	1	37	-1.0	-49.47	310.60	7.43	-42.04
CN(C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=NN=N[N-]1	REAL300019828346	0	29	-1.0	-40.17	277.68	6.74	-33.43
CN(C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=N[N-]N=N1	REAL300019828346	1	29	-1.0	-40.08	277.82	6.73	-33.35
CN(C(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=NN=N[N-]1	REAL300019828347	0	29	-1.0	-43.18	273.35	6.90	-36.28
CN(C(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=N[N-]N=N1	REAL300019828347	1	29	-1.0	-43.09	273.49	6.89	-36.20
COC1=CC(CC(NC(=O)OC(C)(C)C)C(=O)N(C)C2=N[N-]N=N2)=CC=C1O	REAL300019828348	0	51	-1.0	-40.98	405.46	4.28	-36.70
COC1=CC(CC(NC(=O)OC(C)(C)C)C(=O)N(C)C2=NN=N[N-]2)=CC=C1O	REAL300019828348	1	51	-1.0	-41.04	405.37	4.28	-36.76
COC(=O)C1=C(NC(=O)C(F)(F)F)C=C(C(=O)N(C)C2=N[N-]N=N2)S1	REAL300019828349	0	33	-1.0	-46.06	318.82	4.07	-41.99
COC(=O)C1=C(NC(=O)C(F)(F)F)C=C(C(=O)N(C)C2=NN=N[N-]2)S1	REAL300019828349	1	33	-1.0	-46.15	318.67	4.08	-42.07
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300019828350	0	43	-1.0	-48.39	332.72	4.22	-44.17
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300019828350	1	43	-1.0	-48.51	332.59	4.23	-44.28
CN(C(=O)C1(NC(=O)OC(C)(C)C)CCC(C(F)F)CC1)C1=N[N-]N=N1	REAL300019828351	0	49	-1.0	-58.09	372.37	7.25	-50.84
CN(C(=O)C1(NC(=O)OC(C)(C)C)CCC(C(F)F)CC1)C1=NN=N[N-]1	REAL300019828351	1	49	-1.0	-58.15	372.26	7.27	-50.88
CN(C(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)OC21CCC1)C1=N[N-]N=N1	REAL300019828352	0	52	-1.0	-47.43	397.16	4.76	-42.67
CN(C(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)OC21CCC1)C1=NN=N[N-]1	REAL300019828352	1	52	-1.0	-47.51	397.03	4.75	-42.76
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)N(C)C1=N[N-]N=N1)C2	REAL300019828353	0	48	-1.0	-46.97	373.51	3.55	-43.42
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)N(C)C1=NN=N[N-]1)C2	REAL300019828353	1	48	-1.0	-47.04	373.38	3.56	-43.48
CN(C(=O)C1=C(NC(=O)OC(C)(C)C)C=C(Cl)S1)C1=N[N-]N=N1	REAL300019828354	0	37	-1.0	-42.58	324.93	4.86	-37.72
CN(C(=O)C1=C(NC(=O)OC(C)(C)C)C=C(Cl)S1)C1=NN=N[N-]1	REAL300019828354	1	37	-1.0	-42.72	324.78	4.87	-37.85
COC(=O)[C@@H](CC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019828355	0	42	-1.0	-53.29	349.61	4.30	-48.99
COC(=O)[C@@H](CC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019828355	1	42	-1.0	-53.35	349.48	4.32	-49.03
CN(C(=O)CC1CCC2=CC=CC=C2N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828356	0	50	-1.0	-56.01	377.58	9.41	-46.60
CN(C(=O)CC1CCC2=CC=CC=C2N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828356	1	50	-1.0	-56.09	377.44	9.43	-46.66
CN(C(=O)CC1CC2(CN1C(=O)OC(C)(C)C)CCOCC2)C1=N[N-]N=N1	REAL300019828357	0	54	-1.0	-48.54	405.00	6.50	-42.04
CN(C(=O)CC1CC2(CN1C(=O)OC(C)(C)C)CCOCC2)C1=NN=N[N-]1	REAL300019828357	1	54	-1.0	-48.64	404.86	6.51	-42.13
CN(C(=O)CC1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C1=N[N-]N=N1	REAL300019828358	0	50	-1.0	-48.70	379.34	7.98	-40.72
CN(C(=O)CC1CCN(C(=O)OC(C)(C)C)C2(CC2)C1)C1=NN=N[N-]1	REAL300019828358	1	50	-1.0	-48.75	379.21	8.00	-40.75
CN(C(=O)C1=CC2=CC(NC(=O)OC(C)(C)C)=CC=C2N1)C1=N[N-]N=N1	REAL300019828359	0	44	-1.0	-51.86	355.82	5.71	-46.15
CN(C(=O)C1=CC2=CC(NC(=O)OC(C)(C)C)=CC=C2N1)C1=NN=N[N-]1	REAL300019828359	1	44	-1.0	-46.97	356.03	5.77	-41.20
CC1=NSC(I)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828360	0	22	-1.0	-40.19	242.09	4.43	-35.76
CC1=NSC(I)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828360	1	22	-1.0	-40.25	241.96	4.44	-35.81
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019828361	0	33	-1.0	-44.22	290.72	7.19	-37.03
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019828361	1	33	-1.0	-44.16	290.86	7.17	-36.99
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2)C1=N[N-]N=N1	REAL300019828362	0	37	-1.0	-48.80	315.62	9.21	-39.59
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2)C1=NN=N[N-]1	REAL300019828362	1	37	-1.0	-48.89	315.49	9.23	-39.66
CN(C(=O)CCC1=CC=C(C#N)C=C1Br)C1=N[N-]N=N1	REAL300019828363	0	30	-1.0	-47.83	289.26	7.62	-40.21
CN(C(=O)CCC1=CC=C(C#N)C=C1Br)C1=NN=N[N-]1	REAL300019828363	1	30	-1.0	-47.92	289.12	7.65	-40.27
CN(C(=O)C(F)(F)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019828364	0	23	-1.0	-42.01	243.83	5.36	-36.65
CN(C(=O)C(F)(F)C1=CSC=C1Br)C1=NN=N[N-]1	REAL300019828364	1	23	-1.0	-42.08	243.70	5.38	-36.70
COCCCCC(CC1=CC=C(Br)C=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019828365	0	45	-1.0	-53.01	386.07	9.01	-44.00
COCCCCC(CC1=CC=C(Br)C=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019828365	1	45	-1.0	-53.03	385.94	9.03	-44.00
CC1=C(C(=O)N(C)C2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019828366	0	32	-1.0	-45.41	279.85	6.86	-38.55
CC1=C(C(=O)N(C)C2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019828366	1	32	-1.0	-45.33	279.99	6.84	-38.49
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300019828367	0	50	-1.0	-41.12	385.42	8.15	-32.97
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300019828367	1	50	-1.0	-41.19	385.27	8.15	-33.04
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL300019828368	0	47	-1.0	-49.97	365.64	6.52	-43.45
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL300019828368	1	47	-1.0	-50.02	365.51	6.53	-43.49
CN(C(=O)C1=CC(Br)=CC(F)=C1F)C1=N[N-]N=N1	REAL300019828369	0	23	-1.0	-46.27	233.79	5.64	-40.63
CN(C(=O)C1=CC(Br)=CC(F)=C1F)C1=NN=N[N-]1	REAL300019828369	1	23	-1.0	-46.36	233.65	5.63	-40.73
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019828370	0	50	-1.0	-52.56	404.88	7.73	-44.83
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019828370	1	50	-1.0	-52.60	404.74	7.75	-44.85
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019828371	0	50	-1.0	-50.99	405.59	7.74	-43.25
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019828371	1	50	-1.0	-51.09	405.45	7.77	-43.32
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828372	0	49	-1.0	-53.42	374.94	7.14	-46.28
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828372	1	49	-1.0	-53.47	374.88	7.15	-46.32
CN(C(=O)C1CNC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828373	0	54	-1.0	-56.12	389.37	4.77	-51.35
CN(C(=O)C1CNC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828373	1	54	-1.0	-56.20	389.23	4.78	-51.42
C[C@@H]1CCC[C@H](C(=O)N(C)C2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL300019828374	0	46	-1.0	-60.06	342.06	7.25	-52.81
C[C@@H]1CCC[C@H](C(=O)N(C)C2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL300019828374	1	46	-1.0	-60.16	341.92	7.27	-52.89
C=CCOCC1(C(=O)N(C)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)CCO1	REAL300019828375	0	52	-1.0	-57.32	397.54	6.15	-51.17
C=CCOCC1(C(=O)N(C)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)CCO1	REAL300019828375	1	52	-1.0	-57.44	397.41	6.15	-51.29
CCC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828376	0	52	-1.0	-50.85	397.62	8.47	-42.38
CCC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828376	1	52	-1.0	-50.93	397.49	8.48	-42.45
COC(=O)[C@@]12CC[C@]1(C(=O)N(C)C1=N[N-]N=N1)CN(C(=O)OC(C)(C)C)C2	REAL300019828377	0	50	-1.0	-61.92	390.25	7.31	-54.61
COC(=O)[C@@]12CC[C@]1(C(=O)N(C)C1=NN=N[N-]1)CN(C(=O)OC(C)(C)C)C2	REAL300019828377	1	50	-1.0	-61.94	390.12	7.33	-54.61
CN(C(=O)C12CC1CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828378	0	47	-1.0	-60.18	353.12	7.38	-52.80
CN(C(=O)C12CC1CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828378	1	47	-1.0	-60.25	352.98	7.41	-52.84
CCOC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019828379	0	50	-1.0	-50.84	399.78	5.97	-44.87
CCOC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019828379	1	50	-1.0	-50.86	399.65	6.00	-44.86
CN(C(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828380	0	47	-1.0	-48.75	354.26	6.13	-42.62
CN(C(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828380	1	47	-1.0	-48.85	354.21	6.16	-42.69
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CCCCO1)C1=N[N-]N=N1	REAL300019828381	0	47	-1.0	-43.49	357.90	3.83	-39.66
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CCCCO1)C1=NN=N[N-]1	REAL300019828381	1	47	-1.0	-43.54	357.76	3.85	-39.69
CN(C(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828382	0	47	-1.0	-49.36	357.52	6.62	-42.74
CN(C(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828382	1	47	-1.0	-49.44	357.38	6.64	-42.80
CCC(CCC(=O)N(C)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019828383	0	45	-1.0	-46.57	351.46	5.15	-41.42
CCC(CCC(=O)N(C)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019828383	1	45	-1.0	-46.60	351.32	5.18	-41.42
CN(C(=O)[C@H](CCSC(F)(F)F)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828384	0	43	-1.0	-41.83	367.09	5.01	-36.82
CN(C(=O)[C@H](CCSC(F)(F)F)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828384	1	43	-1.0	-41.88	366.95	5.04	-36.84
CN(C(=O)CCC1=CC=CC=C1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828385	0	49	-1.0	-52.26	392.24	7.33	-44.93
CN(C(=O)CCC1=CC=CC=C1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828385	1	49	-1.0	-52.29	392.10	7.35	-44.94
CN(C(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019828386	0	43	-1.0	-52.28	347.64	5.00	-47.28
CN(C(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019828386	1	43	-1.0	-52.32	347.49	5.03	-47.29
CN(C(=O)C1CN(C(=O)OC(C)(C)C)CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL300019828387	0	46	-1.0	-56.74	364.66	3.42	-53.32
CN(C(=O)C1CN(C(=O)OC(C)(C)C)CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL300019828387	1	46	-1.0	-56.82	364.53	3.45	-53.37
CC1=C(F)C=CC(Br)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828388	0	26	-1.0	-45.69	254.05	6.20	-39.49
CC1=C(F)C=CC(Br)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828388	1	26	-1.0	-45.78	253.91	6.20	-39.58
CN(C(=O)C1=COC2=C(Br)C=CC=C12)C1=NN=N[N-]1	REAL300019828389	0	26	-1.0	-47.94	253.52	6.07	-41.87
CN(C(=O)C1=COC2=C(Br)C=CC=C12)C1=N[N-]N=N1	REAL300019828389	1	26	-1.0	-47.88	253.66	6.05	-41.83
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828390	0	42	-1.0	-38.50	320.56	7.82	-30.68
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828390	1	42	-1.0	-38.56	320.41	7.84	-30.72
CN(C(=O)C1(C)CCCN(C(C)(C)C)S1(=O)=O)C1=N[N-]N=N1	REAL300019828391	0	43	-1.0	-34.98	311.94	3.87	-31.11
CN(C(=O)C1(C)CCCN(C(C)(C)C)S1(=O)=O)C1=NN=N[N-]1	REAL300019828391	1	43	-1.0	-34.99	311.78	3.90	-31.09
CN(C(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300019828392	0	33	-1.0	-51.29	305.00	8.67	-42.62
CN(C(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300019828392	1	33	-1.0	-51.36	304.87	8.69	-42.67
CN(C(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=N[N-]N=N1	REAL300019828393	0	33	-1.0	-50.46	291.67	7.75	-42.71
CN(C(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=NN=N[N-]1	REAL300019828393	1	33	-1.0	-50.55	291.53	7.74	-42.81
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019828394	0	37	-1.0	-53.48	300.07	6.55	-46.93
CN(C(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019828394	1	37	-1.0	-53.58	299.94	6.55	-47.03
CN(C(=O)C(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019828395	0	22	-1.0	-40.49	232.18	4.78	-35.71
CN(C(=O)C(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL300019828395	1	22	-1.0	-40.51	232.06	4.80	-35.71
CN(C(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=N[N-]N=N1	REAL300019828396	0	33	-1.0	-48.07	279.88	4.58	-43.49
CN(C(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=NN=N[N-]1	REAL300019828396	1	33	-1.0	-48.15	279.74	4.59	-43.56
CN(C(=O)C1=CSC(Br)=C1Cl)C1=N[N-]N=N1	REAL300019828397	0	20	-1.0	-47.48	226.10	5.12	-42.36
CN(C(=O)C1=CSC(Br)=C1Cl)C1=NN=N[N-]1	REAL300019828397	1	20	-1.0	-47.56	225.96	5.14	-42.42
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2)C1=N[N-]N=N1	REAL300019828398	0	37	-1.0	-49.16	316.34	9.35	-39.81
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2)C1=NN=N[N-]1	REAL300019828398	1	37	-1.0	-49.21	316.20	9.35	-39.86
CN(C(=O)C1(NC(=O)OC(C)(C)C)CCCC2CC21)C1=N[N-]N=N1	REAL300019828399	0	47	-1.0	-54.78	345.90	6.35	-48.43
CN(C(=O)C1(NC(=O)OC(C)(C)C)CCCC2CC21)C1=NN=N[N-]1	REAL300019828399	1	47	-1.0	-54.87	345.77	6.34	-48.53
CN(C(=O)C(CC1=CC=CC(C(F)(F)F)=C1)C1CCCCC1)C1=N[N-]N=N1	REAL300019828400	0	48	-1.0	-47.93	373.31	10.81	-37.12
CN(C(=O)C(CC1=CC=CC(C(F)(F)F)=C1)C1CCCCC1)C1=NN=N[N-]1	REAL300019828400	1	48	-1.0	-48.02	373.18	10.84	-37.18
COC1=CC(F)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Br	REAL300019828401	0	27	-1.0	-47.43	255.99	4.92	-42.51
COC1=CC(F)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Br	REAL300019828401	1	27	-1.0	-47.51	255.84	4.92	-42.59
CN(C(=O)C1=CC=CC(I)=C1F)C1=N[N-]N=N1	REAL300019828402	0	23	-1.0	-51.64	233.11	6.03	-45.61
CN(C(=O)C1=CC=CC(I)=C1F)C1=NN=N[N-]1	REAL300019828402	1	23	-1.0	-51.71	232.97	6.03	-45.68
CN(C(=O)C1=CC=C(C(C)(C)C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019828403	0	37	-1.0	-56.37	307.69	8.82	-47.55
CN(C(=O)C1=CC=C(C(C)(C)C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019828403	1	37	-1.0	-56.30	307.82	8.81	-47.49
CN(C(=O)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019828404	0	39	-1.0	-45.35	336.44	10.24	-35.11
CN(C(=O)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019828404	1	39	-1.0	-45.24	336.57	10.21	-35.03
CN(C(=O)C(CC1=CC=CC=C1)C1CCCCC1)C1=N[N-]N=N1	REAL300019828405	0	45	-1.0	-47.18	334.57	9.82	-37.36
CN(C(=O)C(CC1=CC=CC=C1)C1CCCCC1)C1=NN=N[N-]1	REAL300019828405	1	45	-1.0	-47.28	334.44	9.84	-37.44
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019828406	0	40	-1.0	-51.79	354.61	9.56	-42.23
CN(C(=O)C1=CC(C(F)(F)F)=CC=C1OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019828406	1	40	-1.0	-51.91	354.51	9.58	-42.33
CC(CC(=O)N(C)C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019828407	0	36	-1.0	-46.06	310.68	6.99	-39.07
CC(CC(=O)N(C)C1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019828407	1	36	-1.0	-46.14	310.54	7.01	-39.13
COC(=O)C1=CSC2=C1NC(C(=O)N(C)C1=NN=N[N-]1)=C2	REAL300019828408	0	30	-1.0	-48.49	280.38	5.24	-43.25
COC(=O)C1=CSC2=C1NC(C(=O)N(C)C1=N[N-]N=N1)=C2	REAL300019828408	1	30	-1.0	-48.43	280.52	5.23	-43.20
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)N2)S1	REAL300019828409	0	30	-1.0	-44.79	280.70	5.34	-39.45
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)N2)S1	REAL300019828409	1	30	-1.0	-44.69	280.84	5.35	-39.34
CN(C(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019828410	0	46	-1.0	-50.62	377.76	6.43	-44.19
CN(C(=O)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019828410	1	46	-1.0	-50.71	377.62	6.46	-44.25
CN(C(=O)C[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828411	0	50	-1.0	-46.34	385.16	8.81	-37.53
CN(C(=O)C[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828411	1	50	-1.0	-46.38	385.03	8.84	-37.54
CN(C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828412	0	46	-1.0	-35.02	350.98	5.28	-29.74
CN(C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828412	1	46	-1.0	-35.08	350.82	5.31	-29.77
CN(C(=O)C(F)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828413	0	39	-1.0	-47.58	322.76	3.53	-44.05
CN(C(=O)C(F)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828413	1	39	-1.0	-47.65	322.62	3.55	-44.10
CN(C(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=N[N-]N=N1	REAL300019828414	0	33	-1.0	-52.45	281.47	4.58	-47.87
CN(C(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=NN=N[N-]1	REAL300019828414	1	33	-1.0	-52.55	281.34	4.61	-47.94
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828415	0	37	-1.0	-52.22	323.25	6.74	-45.48
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828415	1	37	-1.0	-52.26	323.12	6.76	-45.50
CN(C(=O)C1=CC(F)=C(I)C(F)=C1)C1=N[N-]N=N1	REAL300019828416	0	23	-1.0	-40.25	241.93	6.10	-34.15
CN(C(=O)C1=CC(F)=C(I)C(F)=C1)C1=NN=N[N-]1	REAL300019828416	1	23	-1.0	-40.28	241.79	6.09	-34.19
CN(C(=O)C1(CNC(=O)OCC2=CC=CC=C2)COC1)C1=N[N-]N=N1	REAL300019828417	0	42	-1.0	-49.64	345.43	4.54	-45.10
CN(C(=O)C1(CNC(=O)OCC2=CC=CC=C2)COC1)C1=NN=N[N-]1	REAL300019828417	1	42	-1.0	-49.70	345.30	4.55	-45.15
CN(C(=O)C1=NNC(C2=CC=C3OCCOC3=C2)=C1)C1=N[N-]N=N1	REAL300019828418	0	36	-1.0	-49.28	307.98	4.73	-44.55
CN(C(=O)C1=NNC(C2=CC=C3OCCOC3=C2)=C1)C1=NN=N[N-]1	REAL300019828418	1	36	-1.0	-49.32	307.85	4.75	-44.57
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=N[N-]N=N1	REAL300019828419	0	37	-1.0	-49.16	311.76	9.24	-39.92
CN(C(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=NN=N[N-]1	REAL300019828419	1	37	-1.0	-49.21	311.63	9.25	-39.96
CC1=CC(Cl)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1Br	REAL300019828420	0	26	-1.0	-45.20	253.75	6.58	-38.62
CC1=CC(Cl)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1Br	REAL300019828420	1	26	-1.0	-45.30	253.61	6.57	-38.73
CN(C(=O)C1=C(Cl)C=C(Br)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019828421	0	25	-1.0	-52.02	271.04	7.07	-44.95
CN(C(=O)C1=C(Cl)C=C(Br)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019828421	1	25	-1.0	-52.11	270.91	7.08	-45.03
CN(C(=O)CCC1=C(C2=CC=CC=C2)NC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300019828422	0	43	-1.0	-48.92	376.21	10.69	-38.23
CN(C(=O)CCC1=C(C2=CC=CC=C2)NC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300019828422	1	43	-1.0	-48.99	376.07	10.72	-38.27
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828423	0	36	-1.0	-30.68	289.82	7.07	-23.61
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828423	1	36	-1.0	-30.73	289.68	7.09	-23.64
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(C2=CC=CC=C2F)=NO1	REAL300019828424	0	32	-1.0	-45.66	287.65	6.98	-38.68
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(C2=CC=CC=C2F)=NO1	REAL300019828424	1	32	-1.0	-45.57	287.79	6.98	-38.59
CN(C(=O)C1(C(F)(F)F)CC2CCC1CC2)C1=N[N-]N=N1	REAL300019828425	0	36	-1.0	-33.60	260.12	6.08	-27.52
CN(C(=O)C1(C(F)(F)F)CC2CCC1CC2)C1=NN=N[N-]1	REAL300019828425	1	36	-1.0	-33.70	260.02	6.08	-27.62
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019828426	0	48	-1.0	-34.00	364.96	8.75	-25.25
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019828426	1	48	-1.0	-34.03	364.80	8.76	-25.27
CN(C(=O)CCCN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300019828427	0	37	-1.0	-59.95	316.21	6.96	-52.99
CN(C(=O)CCCN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300019828427	1	37	-1.0	-60.06	316.07	6.99	-53.07
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828428	0	35	-1.0	-59.75	305.56	8.06	-51.69
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828428	1	35	-1.0	-59.83	305.43	8.08	-51.75
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828429	0	43	-1.0	-44.15	339.85	2.64	-41.51
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828429	1	43	-1.0	-44.26	339.71	2.66	-41.60
CN(C(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828430	0	46	-1.0	-55.11	373.05	4.51	-50.60
CN(C(=O)C(CC1=CN(C)N=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828430	1	46	-1.0	-55.02	373.18	4.48	-50.54
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=N[N-]N=N1	REAL300019828431	0	50	-1.0	-53.23	383.94	7.03	-46.20
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C1=NN=N[N-]1	REAL300019828431	1	50	-1.0	-53.30	383.80	7.07	-46.23
CC(C(=O)N(C)C1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019828432	0	46	-1.0	-47.11	351.31	6.29	-40.82
CC(C(=O)N(C)C1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019828432	1	46	-1.0	-47.19	351.18	6.32	-40.87
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=NN1C1=CC=CC(Br)=C1	REAL300019828433	0	33	-1.0	-50.56	305.15	7.78	-42.78
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=NN1C1=CC=CC(Br)=C1	REAL300019828433	1	33	-1.0	-50.67	305.01	7.78	-42.89
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828434	0	45	-1.0	-49.83	347.35	9.21	-40.62
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828434	1	45	-1.0	-49.93	347.21	9.23	-40.70
COCC1(C(=O)N(C)C2=N[N-]N=N2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300019828435	0	53	-1.0	-62.08	374.59	7.30	-54.78
COCC1(C(=O)N(C)C2=NN=N[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300019828435	1	53	-1.0	-62.19	374.44	7.32	-54.87
CC(C)CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C1=N[N-]N=N1)C(F)(F)F	REAL300019828436	0	48	-1.0	-39.82	361.27	7.24	-32.58
CC(C)CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C1=NN=N[N-]1)C(F)(F)F	REAL300019828436	1	48	-1.0	-39.90	361.14	7.25	-32.65
CN(C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CCC1)C1=N[N-]N=N1	REAL300019828437	0	53	-1.0	-51.12	384.21	7.93	-43.19
CN(C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CCC1)C1=NN=N[N-]1	REAL300019828437	1	53	-1.0	-51.20	384.08	7.94	-43.26
CN(C(=O)C1COC2=CC=C(Br)C=C2C1)C1=N[N-]N=N1	REAL300019828438	0	31	-1.0	-31.65	276.42	6.47	-25.18
CN(C(=O)C1COC2=CC=C(Br)C=C2C1)C1=NN=N[N-]1	REAL300019828438	1	31	-1.0	-31.74	276.55	6.50	-25.24
CN(C(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=N[N-]N=N1	REAL300019828439	0	36	-1.0	-53.60	301.96	1.53	-52.07
CN(C(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=NN=N[N-]1	REAL300019828439	1	36	-1.0	-53.68	301.82	1.55	-52.13
CN(C(=O)CC1CCC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019828440	0	33	-1.0	-49.50	288.62	8.36	-41.14
CN(C(=O)CC1CCC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019828440	1	33	-1.0	-49.58	288.49	8.39	-41.19
CN(C(=O)C(C)(C)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019828441	0	55	-1.0	-35.41	415.69	7.21	-28.20
CN(C(=O)C(C)(C)CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019828441	1	55	-1.0	-35.46	415.52	7.21	-28.25
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)N(C)C1=N[N-]N=N1	REAL300019828442	0	46	-1.0	-49.82	367.46	10.52	-39.30
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)N(C)C1=NN=N[N-]1	REAL300019828442	1	46	-1.0	-49.89	367.33	10.54	-39.35
CN(C(=O)C1=C(Cl)SC2=C1SN=N2)C1=NN=N[N-]1	REAL300019828443	0	21	-1.0	-42.40	241.64	3.60	-38.80
CN(C(=O)C1=C(Cl)SC2=C1SN=N2)C1=N[N-]N=N1	REAL300019828443	1	21	-1.0	-42.36	241.79	3.59	-38.77
CC(C)C(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828444	0	55	-1.0	-47.43	421.40	8.44	-38.99
CC(C)C(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828444	1	55	-1.0	-47.53	421.25	8.44	-39.09
CN(C(=O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828445	0	46	-1.0	-56.87	358.45	6.61	-50.26
CN(C(=O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828445	1	46	-1.0	-56.92	358.32	6.65	-50.27
CN(C(=O)C1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828446	0	46	-1.0	-56.91	358.40	6.62	-50.29
CN(C(=O)C1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828446	1	46	-1.0	-56.98	358.27	6.66	-50.32
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC2(C1)CCOCC2)C1=N[N-]N=N1	REAL300019828447	0	51	-1.0	-56.12	384.09	6.30	-49.82
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC2(C1)CCOCC2)C1=NN=N[N-]1	REAL300019828447	1	51	-1.0	-56.21	383.96	6.32	-49.89
COC(=O)C1=CC(C)=C2C=C(C(=O)N(C)C3=NN=N[N-]3)NC2=C1	REAL300019828448	0	36	-1.0	-45.87	309.48	6.80	-39.07
COC(=O)C1=CC(C)=C2C=C(C(=O)N(C)C3=N[N-]N=N3)NC2=C1	REAL300019828448	1	36	-1.0	-45.78	309.62	6.78	-39.00
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCCO1)C1=N[N-]N=N1	REAL300019828449	0	44	-1.0	-50.45	341.08	3.56	-46.89
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCCO1)C1=NN=N[N-]1	REAL300019828449	1	44	-1.0	-50.47	340.94	3.57	-46.90
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300019828450	0	55	-1.0	-51.17	424.79	8.10	-43.07
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300019828450	1	55	-1.0	-51.23	424.65	8.13	-43.10
CN(C(=O)C1(C2=CCN(C(=O)OC(C)(C)C)CC2)CCC1)C1=N[N-]N=N1	REAL300019828451	0	51	-1.0	-56.58	381.93	8.04	-48.54
CN(C(=O)C1(C2=CCN(C(=O)OC(C)(C)C)CC2)CCC1)C1=NN=N[N-]1	REAL300019828451	1	51	-1.0	-56.67	381.79	8.06	-48.61
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC=CC1)C1=N[N-]N=N1	REAL300019828452	0	41	-1.0	-55.85	320.92	5.37	-50.48
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC=CC1)C1=NN=N[N-]1	REAL300019828452	1	41	-1.0	-55.94	320.79	5.39	-50.55
CN(C(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019828453	0	36	-1.0	-50.72	308.31	7.48	-43.24
CN(C(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019828453	1	36	-1.0	-50.59	308.45	7.48	-43.11
CN(C(=O)C1=NOC2=C1CN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828454	0	43	-1.0	-52.24	346.93	6.22	-46.02
CN(C(=O)C1=NOC2=C1CN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828454	1	43	-1.0	-52.34	346.79	6.23	-46.11
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828455	0	48	-1.0	-48.94	362.90	4.92	-44.02
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828455	1	48	-1.0	-49.05	362.77	4.93	-44.12
CC(OC1=CC=C(Cl)C=C1CC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019828456	0	43	-1.0	-50.28	366.66	11.15	-39.13
CC(OC1=CC=C(Cl)C=C1CC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019828456	1	43	-1.0	-50.39	366.53	11.18	-39.21
CN(C(=O)C1CC2=CC(Br)=CN=C2C1)C1=N[N-]N=N1	REAL300019828457	0	29	-1.0	-45.53	267.37	5.76	-39.77
CN(C(=O)C1CC2=CC(Br)=CN=C2C1)C1=NN=N[N-]1	REAL300019828457	1	29	-1.0	-45.62	267.23	5.78	-39.84
CN(C(=O)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1)C1=NN=N[N-]1	REAL300019828458	0	36	-1.0	-47.56	329.50	6.28	-41.28
CN(C(=O)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1)C1=N[N-]N=N1	REAL300019828458	1	36	-1.0	-47.53	329.64	6.26	-41.27
CN(C(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300019828459	0	49	-1.0	-45.68	374.53	7.07	-38.61
CN(C(=O)C(F)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300019828459	1	49	-1.0	-45.73	374.39	7.07	-38.66
CN(C(=O)C(C)(C)C1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828460	0	49	-1.0	-61.15	351.33	7.58	-53.57
CN(C(=O)C(C)(C)C1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828460	1	49	-1.0	-61.23	351.18	7.59	-53.64
CN(C(=O)C1CC2(CCC2)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828461	0	50	-1.0	-58.54	371.99	8.31	-50.23
CN(C(=O)C1CC2(CCC2)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828461	1	50	-1.0	-58.62	371.85	8.32	-50.30
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CCCC1)C1=N[N-]N=N1	REAL300019828462	0	46	-1.0	-36.01	345.98	5.88	-30.13
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CCCC1)C1=NN=N[N-]1	REAL300019828462	1	46	-1.0	-36.03	345.85	5.90	-30.13
CN(C(=O)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019828463	0	39	-1.0	-45.85	326.80	9.84	-36.01
CN(C(=O)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019828463	1	39	-1.0	-45.78	326.93	9.84	-35.94
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828464	0	39	-1.0	-47.89	326.47	8.78	-39.11
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828464	1	39	-1.0	-47.97	326.34	8.80	-39.17
CN(C(=O)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019828465	0	39	-1.0	-49.74	338.72	10.54	-39.20
CN(C(=O)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019828465	1	39	-1.0	-49.65	338.86	10.51	-39.14
CN(C(=O)CC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300019828466	0	23	-1.0	-46.38	241.56	5.70	-40.68
CN(C(=O)CC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300019828466	1	23	-1.0	-46.47	241.42	5.73	-40.74
CN(C(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300019828467	0	34	-1.0	-48.59	307.13	9.27	-39.32
CN(C(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300019828467	1	34	-1.0	-48.70	306.98	9.28	-39.42
CN(C(=O)CC1=C(Br)SC(Br)=C1)C1=N[N-]N=N1	REAL300019828468	0	23	-1.0	-44.96	261.47	6.32	-38.64
CN(C(=O)CC1=C(Br)SC(Br)=C1)C1=NN=N[N-]1	REAL300019828468	1	23	-1.0	-45.03	261.33	6.35	-38.68
COCCN1C=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C21	REAL300019828469	0	37	-1.0	-53.99	314.64	6.69	-47.30
COCCN1C=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C21	REAL300019828469	1	37	-1.0	-53.90	315.16	6.68	-47.22
CN(C(=O)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019828470	0	39	-1.0	-45.60	326.13	9.79	-35.81
CN(C(=O)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019828470	1	39	-1.0	-45.55	326.26	9.76	-35.79
CN(C(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=NN=N[N-]1	REAL300019828471	0	29	-1.0	-42.74	271.61	6.20	-36.54
CN(C(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=N[N-]N=N1	REAL300019828471	1	29	-1.0	-42.62	271.75	6.17	-36.45
CN(C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=NN=N[N-]1	REAL300019828472	0	29	-1.0	-42.43	281.93	6.65	-35.78
CN(C(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=N[N-]N=N1	REAL300019828472	1	29	-1.0	-42.32	282.07	6.62	-35.70
CN(C(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL300019828473	0	29	-1.0	-43.70	281.93	6.65	-37.05
CN(C(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL300019828473	1	29	-1.0	-43.67	282.08	6.62	-37.05
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N(C)C3=N[N-]N=N3)N2C)C=C1	REAL300019828474	0	42	-1.0	-53.49	350.37	9.13	-44.36
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N(C)C3=NN=N[N-]3)N2C)C=C1	REAL300019828474	1	42	-1.0	-53.55	350.23	9.16	-44.39
CN(C(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300019828475	0	42	-1.0	-52.05	347.40	4.65	-47.40
CN(C(=O)C1=CC(CNC(=O)OC(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL300019828475	1	42	-1.0	-52.12	347.26	4.66	-47.46
CN(C(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828476	0	46	-1.0	-48.03	351.75	5.04	-42.99
CN(C(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828476	1	46	-1.0	-48.07	351.61	5.08	-42.99
CN(C(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828477	0	49	-1.0	-36.61	378.36	4.25	-32.36
CN(C(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828477	1	49	-1.0	-36.64	378.24	4.27	-32.37
CN(C(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828478	0	50	-1.0	-37.53	377.99	5.71	-31.82
CN(C(=O)C(CC1CCOCC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828478	1	50	-1.0	-37.53	377.83	5.74	-31.79
CN(C(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828479	0	46	-1.0	-60.57	352.59	6.90	-53.67
CN(C(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828479	1	46	-1.0	-60.59	352.45	6.92	-53.67
CN(C(=O)CC1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828480	0	54	-1.0	-52.11	407.46	7.14	-44.97
CN(C(=O)CC1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828480	1	54	-1.0	-52.22	407.33	7.17	-45.05
CN(C(=O)C1=CC2=C(CCCN(C(=O)OC(C)(C)C)C2)S1)C1=N[N-]N=N1	REAL300019828481	0	47	-1.0	-50.12	374.57	7.98	-42.14
CN(C(=O)C1=CC2=C(CCCN(C(=O)OC(C)(C)C)C2)S1)C1=NN=N[N-]1	REAL300019828481	1	47	-1.0	-50.18	374.42	8.02	-42.16
CN(C(=O)C1=NN(C)C2=C1CN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828482	0	47	-1.0	-59.70	371.11	6.42	-53.28
CN(C(=O)C1=NN(C)C2=C1CN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828482	1	47	-1.0	-59.77	370.97	6.43	-53.34
CN(C(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828483	0	48	-1.0	-34.95	345.86	6.29	-28.66
CN(C(=O)C(CC(C)(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828483	1	48	-1.0	-34.99	345.74	6.30	-28.69
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828484	0	49	-1.0	-51.18	385.88	4.56	-46.62
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828484	1	49	-1.0	-51.24	385.75	4.59	-46.65
CN(C(=O)C1=C(Br)C=CN=C1F)C1=NN=N[N-]1	REAL300019828485	0	22	-1.0	-49.03	230.46	3.81	-45.22
CN(C(=O)C1=C(Br)C=CN=C1F)C1=N[N-]N=N1	REAL300019828485	1	22	-1.0	-48.98	230.60	3.80	-45.18
CN(C(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=N[N-]N=N1	REAL300019828486	0	43	-1.0	-39.10	339.97	6.33	-32.77
CN(C(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C1=NN=N[N-]1	REAL300019828486	1	43	-1.0	-39.15	339.87	6.34	-32.81
CN(C(=O)C1=CN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300019828487	0	49	-1.0	-49.05	393.42	5.98	-43.07
CN(C(=O)C1=CN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300019828487	1	49	-1.0	-48.94	393.56	5.98	-42.96
CN(C(=O)C1=CC=CC2=C1CN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828488	0	47	-1.0	-59.70	366.85	8.09	-51.61
CN(C(=O)C1=CC=CC2=C1CN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828488	1	47	-1.0	-59.80	366.71	8.10	-51.70
CN(C(=O)CC(NC(=O)OC(C)(C)C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019828489	0	46	-1.0	-52.54	385.64	7.79	-44.75
CN(C(=O)CC(NC(=O)OC(C)(C)C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019828489	1	46	-1.0	-52.60	385.51	7.81	-44.79
CN(C(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019828490	0	39	-1.0	-46.58	329.74	1.38	-45.20
CN(C(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019828490	1	39	-1.0	-46.65	329.60	1.40	-45.25
CN(C)C1=CC=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019828491	0	31	-1.0	-48.40	269.60	5.91	-42.49
CN(C)C1=CC=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019828491	1	31	-1.0	-48.47	269.46	5.90	-42.57
CN(C(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=N[N-]N=N1	REAL300019828492	0	33	-1.0	-54.01	284.30	3.47	-50.54
CN(C(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=NN=N[N-]1	REAL300019828492	1	33	-1.0	-54.15	284.16	3.46	-50.69
CN(C(=O)C(C)(NC(=O)OC(C)(C)C)C(F)(F)F)C1=N[N-]N=N1	REAL300019828493	0	39	-1.0	-47.76	314.63	4.35	-43.41
CN(C(=O)C(C)(NC(=O)OC(C)(C)C)C(F)(F)F)C1=NN=N[N-]1	REAL300019828493	1	39	-1.0	-47.85	314.50	4.36	-43.49
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC2(CCC2)C1)C1=N[N-]N=N1	REAL300019828494	0	50	-1.0	-49.37	380.87	6.02	-43.35
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC2(CCC2)C1)C1=NN=N[N-]1	REAL300019828494	1	50	-1.0	-49.51	380.73	6.04	-43.47
CN(C(=O)C1=C(C2CC2)ON=C1Br)C1=N[N-]N=N1	REAL300019828495	0	26	-1.0	-41.90	260.44	5.57	-36.33
CN(C(=O)C1=C(C2CC2)ON=C1Br)C1=NN=N[N-]1	REAL300019828495	1	26	-1.0	-41.97	260.30	5.59	-36.38
CN(C(=O)C1=CC2=C(N1)C(Br)=CO2)C1=N[N-]N=N1	REAL300019828496	0	24	-1.0	-44.36	236.47	4.22	-40.14
CN(C(=O)C1=CC2=C(N1)C(Br)=CO2)C1=NN=N[N-]1	REAL300019828496	1	24	-1.0	-44.48	236.33	4.20	-40.28
CN(C(=O)CC1=CC2=C(C=C1Br)OCO2)C1=N[N-]N=N1	REAL300019828497	0	29	-1.0	-47.70	273.54	5.11	-42.59
CN(C(=O)CC1=CC2=C(C=C1Br)OCO2)C1=NN=N[N-]1	REAL300019828497	1	29	-1.0	-47.76	273.40	5.14	-42.62
CN(C(=O)C1=C(Br)SC2=C1SN=N2)C1=NN=N[N-]1	REAL300019828498	0	21	-1.0	-41.65	246.07	3.69	-37.96
CN(C(=O)C1=C(Br)SC2=C1SN=N2)C1=N[N-]N=N1	REAL300019828498	1	21	-1.0	-41.59	246.21	3.68	-37.91
CN(C(=O)C1=NC2=CC(Br)=CNC2=N1)C1=N[N-]N=N1	REAL300019828499	0	25	-1.0	-64.16	248.24	4.48	-59.68
CN(C(=O)C1=NC2=CC(Br)=CNC2=N1)C1=NN=N[N-]1	REAL300019828499	1	25	-1.0	-64.25	248.10	4.50	-59.75
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828500	0	47	-1.0	-54.95	381.31	5.22	-49.73
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828500	1	47	-1.0	-55.02	381.17	5.24	-49.78
CN(C(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=N[N-]N=N1	REAL300019828501	0	47	-1.0	-59.87	373.69	4.15	-55.72
CN(C(=O)CN1CCCC(NC(=O)OC(C)(C)C)C1=O)C1=NN=N[N-]1	REAL300019828501	1	47	-1.0	-59.95	373.56	4.17	-55.78
CN(C(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=N[N-]N=N1	REAL300019828502	0	50	-1.0	-47.53	368.40	7.07	-40.46
CN(C(=O)C1CN(C(=O)OC(C)(C)C)CC12CCCC2)C1=NN=N[N-]1	REAL300019828502	1	50	-1.0	-47.59	368.27	7.10	-40.49
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828503	0	46	-1.0	-51.32	365.61	3.81	-47.51
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828503	1	46	-1.0	-51.39	365.47	3.84	-47.55
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300019828504	0	47	-1.0	-50.67	361.86	8.12	-42.55
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300019828504	1	47	-1.0	-50.73	361.72	8.14	-42.59
CN(C(=O)C1=CC=C(Br)C(C(F)(F)F)=C1F)C1=N[N-]N=N1	REAL300019828505	0	26	-1.0	-48.54	262.95	6.48	-42.06
CN(C(=O)C1=CC=C(Br)C(C(F)(F)F)=C1F)C1=NN=N[N-]1	REAL300019828505	1	26	-1.0	-48.60	262.81	6.48	-42.12
CN(C(=O)C1CNC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019828506	0	48	-1.0	-33.76	370.82	3.10	-30.66
CN(C(=O)C1CNC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019828506	1	48	-1.0	-33.81	370.30	3.07	-30.74
C#CCC1(C(=O)N(C)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019828507	0	45	-1.0	-56.86	354.21	6.50	-50.36
C#CCC1(C(=O)N(C)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019828507	1	45	-1.0	-56.84	354.07	6.51	-50.33
CN(C(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=N[N-]N=N1	REAL300019828508	0	45	-1.0	-51.37	350.84	6.75	-44.62
CN(C(=O)C1=CC=C2CN(C(=O)OC(C)(C)C)CCN21)C1=NN=N[N-]1	REAL300019828508	1	45	-1.0	-51.56	350.70	6.78	-44.78
CN(C(=O)C1=CC2=C(CNC(=O)OC(C)(C)C)C=CC=C2C=C1)C1=N[N-]N=N1	REAL300019828509	0	49	-1.0	-55.97	393.90	7.47	-48.50
CN(C(=O)C1=CC2=C(CNC(=O)OC(C)(C)C)C=CC=C2C=C1)C1=NN=N[N-]1	REAL300019828509	1	49	-1.0	-56.06	393.76	7.47	-48.59
CN(C(=O)C(CC1=CC=C(Cl)N=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828510	0	45	-1.0	-53.69	380.18	5.44	-48.25
CN(C(=O)C(CC1=CC=C(Cl)N=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828510	1	45	-1.0	-53.61	380.32	5.41	-48.20
CCOC1=CC(Br)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1N	REAL300019828511	0	32	-1.0	-42.95	287.70	3.97	-38.98
CCOC1=CC(Br)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1N	REAL300019828511	1	32	-1.0	-42.99	287.55	4.00	-38.99
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CS(=O)(=O)C1)C1=N[N-]N=N1	REAL300019828512	0	43	-1.0	-52.13	354.25	1.29	-50.84
CN(C(=O)CC1(NC(=O)OC(C)(C)C)CS(=O)(=O)C1)C1=NN=N[N-]1	REAL300019828512	1	43	-1.0	-52.21	354.12	1.31	-50.90
CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL300019828513	0	47	-1.0	-48.31	362.14	6.74	-41.57
CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL300019828513	1	47	-1.0	-48.40	362.00	6.77	-41.63
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019828514	0	49	-1.0	-52.45	392.39	6.80	-45.65
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019828514	1	49	-1.0	-52.56	392.26	6.83	-45.73
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300019828515	0	30	-1.0	-50.90	275.98	7.77	-43.13
CN(C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300019828515	1	30	-1.0	-51.00	275.85	7.81	-43.19
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=N[N-]N=N1	REAL300019828516	0	43	-1.0	-44.83	349.75	3.18	-41.65
CN(C(=O)C(NC(=O)OC(C)(C)C)C1=CC=NN1C)C1=NN=N[N-]1	REAL300019828516	1	43	-1.0	-44.92	349.60	3.22	-41.70
CN(C(=O)C1=CN(CC2CN(C(=O)OC(C)(C)C)C2)N=N1)C1=NN=N[N-]1	REAL300019828517	0	46	-1.0	-54.20	379.84	5.05	-49.15
CN(C(=O)C1=CN(CC2CN(C(=O)OC(C)(C)C)C2)N=N1)C1=N[N-]N=N1	REAL300019828517	1	46	-1.0	-54.14	379.98	5.03	-49.11
C=CCN(CCC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019828518	0	43	-1.0	-48.55	347.50	6.80	-41.75
C=CCN(CCC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019828518	1	43	-1.0	-48.67	347.36	6.83	-41.84
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828519	0	46	-1.0	-56.24	358.09	5.70	-50.54
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828519	1	46	-1.0	-56.34	357.96	5.72	-50.62
CN(C(=O)[C@@H]1C[C@H](CC2=CC=CC=C2)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828520	0	53	-1.0	-58.10	418.87	9.84	-48.26
CN(C(=O)[C@@H]1C[C@H](CC2=CC=CC=C2)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828520	1	53	-1.0	-58.15	418.74	9.88	-48.27
CC1=CC=C(C2(C(=O)N(C)C3=N[N-]N=N3)CCC(=O)CC2)C=C1	REAL300019828521	0	41	-1.0	-47.61	312.30	7.76	-39.85
CC1=CC=C(C2(C(=O)N(C)C3=NN=N[N-]3)CCC(=O)CC2)C=C1	REAL300019828521	1	41	-1.0	-47.69	312.17	7.77	-39.92
CN(C(=O)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019828522	0	28	-1.0	-48.43	273.97	5.26	-43.17
CN(C(=O)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019828522	1	28	-1.0	-48.39	274.11	5.25	-43.14
CN(C(=O)C1=C(C(F)(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300019828523	0	31	-1.0	-47.53	284.39	3.99	-43.54
CN(C(=O)C1=C(C(F)(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300019828523	1	31	-1.0	-47.52	284.53	3.98	-43.54
CN(C(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828524	0	44	-1.0	-53.96	347.89	2.70	-51.26
CN(C(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828524	1	44	-1.0	-54.02	347.76	2.72	-51.30
CN(C(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL300019828525	0	30	-1.0	-48.88	288.09	5.19	-43.69
CN(C(=O)CC1=CC(N)=C([N+](=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL300019828525	1	30	-1.0	-48.99	287.96	5.22	-43.77
CN(C(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828526	0	43	-1.0	-36.14	336.13	2.75	-33.39
CN(C(=O)C(CC1=CNN=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828526	1	43	-1.0	-36.03	336.20	2.72	-33.31
CN(C(=O)C(CNC(=O)OC(C)(C)C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300019828527	0	46	-1.0	-47.60	381.75	6.42	-41.18
CN(C(=O)C(CNC(=O)OC(C)(C)C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300019828527	1	46	-1.0	-47.70	381.62	6.44	-41.26
CN(C(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019828528	0	46	-1.0	-48.16	359.29	6.83	-41.33
CN(C(=O)C(F)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019828528	1	46	-1.0	-48.19	359.15	6.85	-41.34
COC1(C(=O)N(C)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019828529	0	41	-1.0	-43.82	330.68	3.58	-40.24
COC1(C(=O)N(C)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019828529	1	41	-1.0	-43.88	330.55	3.59	-40.29
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=N[N-]N=N1	REAL300019828530	0	50	-1.0	-38.46	382.06	7.46	-31.00
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CC2(CCC2)C1)C1=NN=N[N-]1	REAL300019828530	1	50	-1.0	-38.52	381.92	7.49	-31.03
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=N[N-]N=N1	REAL300019828531	0	49	-1.0	-42.96	367.55	6.29	-36.67
CN(C(=O)C(NC(=O)OC(C)(C)C)C1CC(C)(C)C1)C1=NN=N[N-]1	REAL300019828531	1	49	-1.0	-42.99	367.41	6.31	-36.68
CN(C(=O)COC1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019828532	0	47	-1.0	-54.50	386.69	6.31	-48.19
CN(C(=O)COC1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019828532	1	47	-1.0	-54.58	386.55	6.33	-48.25
CN(C(=O)C1=CC=C2C(=C1)CCCC2NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828533	0	50	-1.0	-49.90	383.40	7.07	-42.83
CN(C(=O)C1=CC=C2C(=C1)CCCC2NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828533	1	50	-1.0	-49.96	383.26	7.06	-42.90
CN(C(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828534	0	50	-1.0	-53.51	377.79	6.00	-47.51
CN(C(=O)C1CC2CC1CC2CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828534	1	50	-1.0	-53.54	377.66	6.02	-47.52
CN(C(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828535	0	47	-1.0	-34.93	350.17	2.33	-32.60
CN(C(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828535	1	47	-1.0	-34.99	350.03	2.36	-32.63
CN(C(=O)C1=CC=C2CCCC(NC(=O)OC(C)(C)C)CC2=C1)C1=N[N-]N=N1	REAL300019828536	0	53	-1.0	-56.48	405.66	7.69	-48.79
CN(C(=O)C1=CC=C2CCCC(NC(=O)OC(C)(C)C)CC2=C1)C1=NN=N[N-]1	REAL300019828536	1	53	-1.0	-56.52	405.52	7.69	-48.83
CN(C(=O)C1=CC2=CC=C(CNC(=O)OC(C)(C)C)C=C2C=C1)C1=N[N-]N=N1	REAL300019828537	0	49	-1.0	-50.55	397.24	7.61	-42.94
CN(C(=O)C1=CC2=CC=C(CNC(=O)OC(C)(C)C)C=C2C=C1)C1=NN=N[N-]1	REAL300019828537	1	49	-1.0	-50.65	397.09	7.61	-43.04
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C2C1C2(F)F)C1=N[N-]N=N1	REAL300019828538	0	44	-1.0	-56.27	343.27	6.45	-49.82
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C2C1C2(F)F)C1=NN=N[N-]1	REAL300019828538	1	44	-1.0	-56.39	343.14	6.47	-49.92
CN(C(=O)C1=NNC2=C1CN(C(=O)OC(C)(C)C)C2(C)C)C1=N[N-]N=N1	REAL300019828539	0	47	-1.0	-48.75	372.67	5.55	-43.20
CN(C(=O)C1=NNC2=C1CN(C(=O)OC(C)(C)C)C2(C)C)C1=NN=N[N-]1	REAL300019828539	1	47	-1.0	-48.81	372.53	5.57	-43.24
CN(C(=O)C1CCC(NC(=O)OC(C)(C)C)C(F)(F)CC1)C1=N[N-]N=N1	REAL300019828540	0	49	-1.0	-48.76	367.47	5.64	-43.12
CN(C(=O)C1CCC(NC(=O)OC(C)(C)C)C(F)(F)CC1)C1=NN=N[N-]1	REAL300019828540	1	49	-1.0	-48.86	367.33	5.64	-43.22
CN(C(=O)C1CC2(C1)C1=CC=CN1CCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828541	0	52	-1.0	-50.36	369.15	7.93	-42.43
CN(C(=O)C1CC2(C1)C1=CC=CN1CCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828541	1	52	-1.0	-50.38	369.00	7.94	-42.44
CN(C(=O)C1=CC=C2N1CCN(C(=O)OC(C)(C)C)C21CCC1)C1=N[N-]N=N1	REAL300019828542	0	52	-1.0	-48.12	387.79	8.20	-39.92
CN(C(=O)C1=CC=C2N1CCN(C(=O)OC(C)(C)C)C21CCC1)C1=NN=N[N-]1	REAL300019828542	1	52	-1.0	-48.20	387.65	8.23	-39.97
CN(C(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019828543	0	49	-1.0	-47.91	361.72	5.51	-42.40
CN(C(=O)C1CCCC(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019828543	1	49	-1.0	-47.99	361.59	5.52	-42.47
CN(C(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=N[N-]N=N1	REAL300019828544	0	39	-1.0	-50.59	333.76	5.00	-45.59
CN(C(=O)C1=NC=C(NC(=O)OC(C)(C)C)C=C1Cl)C1=NN=N[N-]1	REAL300019828544	1	39	-1.0	-50.62	333.61	5.01	-45.61
CN(C(=O)C1(CF)CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019828545	0	46	-1.0	-52.42	342.66	6.13	-46.29
CN(C(=O)C1(CF)CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019828545	1	46	-1.0	-52.46	342.53	6.14	-46.32
CN(C(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2)C1=N[N-]N=N1	REAL300019828546	0	50	-1.0	-38.35	356.24	5.11	-33.24
CN(C(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2)C1=NN=N[N-]1	REAL300019828546	1	50	-1.0	-38.36	356.13	5.14	-33.22
CN(C(=O)C1=NN(C)C=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828547	0	40	-1.0	-47.67	326.75	3.75	-43.92
CN(C(=O)C1=NN(C)C=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828547	1	40	-1.0	-47.74	326.60	3.77	-43.97
CN(C(=O)C1=CC=CC(Cl)=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019828548	0	26	-1.0	-51.71	252.62	6.26	-45.45
CN(C(=O)C1=CC=CC(Cl)=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019828548	1	26	-1.0	-51.77	252.48	6.26	-45.51
COC1=NN(C)C(Br)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828549	0	27	-1.0	-48.37	265.53	1.36	-47.01
COC1=NN(C)C(Br)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828549	1	27	-1.0	-48.27	265.67	1.34	-46.93
CN(C(=O)[C@@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828550	0	55	-1.0	-34.05	397.11	8.10	-25.95
CN(C(=O)[C@@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828550	1	55	-1.0	-34.09	397.10	8.12	-25.97
CN(C(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)OC21COC1)C1=N[N-]N=N1	REAL300019828551	0	50	-1.0	-48.92	384.28	1.98	-46.94
CN(C(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)OC21COC1)C1=NN=N[N-]1	REAL300019828551	1	50	-1.0	-49.05	384.16	1.99	-47.06
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N(C)C2=N[N-]N=N2)C1	REAL300019828552	0	47	-1.0	-53.06	366.77	4.47	-48.59
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N(C)C2=NN=N[N-]2)C1	REAL300019828552	1	47	-1.0	-53.10	366.64	4.49	-48.61
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C2CCCCC12)C1=N[N-]N=N1	REAL300019828553	0	53	-1.0	-50.28	390.58	7.96	-42.32
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C2CCCCC12)C1=NN=N[N-]1	REAL300019828553	1	53	-1.0	-50.34	390.45	7.98	-42.36
CN(C(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=N[N-]N=N1	REAL300019828554	0	36	-1.0	-63.17	316.92	4.49	-58.68
CN(C(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=NN=N[N-]1	REAL300019828554	1	36	-1.0	-63.27	316.77	4.50	-58.77
CN(C(=O)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O)C1=NN=N[N-]1	REAL300019828555	0	40	-1.0	-65.13	350.33	7.87	-57.26
CN(C(=O)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O)C1=N[N-]N=N1	REAL300019828555	1	40	-1.0	-64.99	350.46	7.85	-57.14
CN(C(=O)C1N(C(=O)OC(C)(C)C)CCC12CCC2)C1=N[N-]N=N1	REAL300019828556	0	47	-1.0	-58.85	352.42	7.18	-51.67
CN(C(=O)C1N(C(=O)OC(C)(C)C)CCC12CCC2)C1=NN=N[N-]1	REAL300019828556	1	47	-1.0	-58.97	352.29	7.20	-51.77
CN(C(=O)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828557	0	46	-1.0	-36.50	344.17	4.80	-31.70
CN(C(=O)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828557	1	46	-1.0	-36.57	344.04	4.84	-31.73
CN(C(=O)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828558	0	48	-1.0	-46.26	363.22	8.14	-38.12
CN(C(=O)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828558	1	48	-1.0	-46.35	363.08	8.17	-38.18
CN(C(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=NN=N[N-]1	REAL300019828559	0	26	-1.0	-47.88	273.78	7.40	-40.48
CN(C(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1)C1=N[N-]N=N1	REAL300019828559	1	26	-1.0	-47.78	273.93	7.39	-40.39
CN(C(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300019828560	0	35	-1.0	-55.93	277.12	2.28	-53.65
CN(C(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300019828560	1	35	-1.0	-56.03	276.99	2.31	-53.72
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N(C)C1=NN=N[N-]1)C3=O	REAL300019828561	0	39	-1.0	-64.55	325.52	7.95	-56.60
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N(C)C1=N[N-]N=N1)C3=O	REAL300019828561	1	39	-1.0	-64.47	325.66	7.95	-56.52
CN(C(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=N[N-]N=N1	REAL300019828562	0	37	-1.0	-55.79	305.05	6.72	-49.07
CN(C(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=NN=N[N-]1	REAL300019828562	1	37	-1.0	-55.87	304.90	6.72	-49.15
CN(C(=O)C1CCC2(CCOCC2)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828563	0	54	-1.0	-59.21	389.85	7.28	-51.93
CN(C(=O)C1CCC2(CCOCC2)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828563	1	54	-1.0	-59.32	389.72	7.30	-52.02
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC12CCOCC2)C1=N[N-]N=N1	REAL300019828564	0	51	-1.0	-47.77	390.84	4.30	-43.47
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC12CCOCC2)C1=NN=N[N-]1	REAL300019828564	1	51	-1.0	-47.88	390.71	4.32	-43.56
CN(C(=O)C12CCC(CNC(=O)OC(C)(C)C)(CC1)OC2)C1=N[N-]N=N1	REAL300019828565	0	51	-1.0	-47.78	377.16	4.19	-43.59
CN(C(=O)C12CCC(CNC(=O)OC(C)(C)C)(CC1)OC2)C1=NN=N[N-]1	REAL300019828565	1	51	-1.0	-47.85	377.03	4.21	-43.64
CN(C(=O)C1CCC2=CC=CC=C2N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828566	0	47	-1.0	-58.06	361.12	8.95	-49.11
CN(C(=O)C1CCC2=CC=CC=C2N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828566	1	47	-1.0	-58.16	360.98	8.96	-49.20
CN(C(=O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828567	0	46	-1.0	-56.98	356.85	6.54	-50.44
CN(C(=O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828567	1	46	-1.0	-57.08	356.72	6.57	-50.51
CN(C(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=NN=N[N-]1	REAL300019828568	0	35	-1.0	-52.83	295.70	4.40	-48.43
CN(C(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=N[N-]N=N1	REAL300019828568	1	35	-1.0	-52.74	295.84	4.39	-48.35
CN(C(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300019828569	0	33	-1.0	-58.50	303.08	4.92	-53.58
CN(C(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300019828569	1	33	-1.0	-58.58	302.94	4.95	-53.63
COC1=CC(Br)=CN=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828570	0	26	-1.0	-49.14	248.04	5.34	-43.80
COC1=CC(Br)=CN=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828570	1	26	-1.0	-49.10	248.18	5.34	-43.76
CN(C(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=N[N-]N=N1	REAL300019828571	0	32	-1.0	-57.21	285.47	2.55	-54.66
CN(C(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=NN=N[N-]1	REAL300019828571	1	32	-1.0	-57.25	285.33	2.55	-54.70
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019828572	0	38	-1.0	-49.05	330.58	4.33	-44.72
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019828572	1	38	-1.0	-49.19	330.43	4.33	-44.86
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019828573	0	38	-1.0	-53.73	331.96	4.34	-49.39
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019828573	1	38	-1.0	-53.86	331.82	4.33	-49.53
CN(C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019828574	0	28	-2.0	-80.23	267.09	3.56	-76.67
CN(C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019828574	1	28	-2.0	-80.16	267.22	3.56	-76.60
CN(C(=O)C1CC(F)(F)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828575	0	43	-1.0	-54.75	339.56	6.74	-48.01
CN(C(=O)C1CC(F)(F)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828575	1	43	-1.0	-54.83	339.42	6.75	-48.08
CN(C(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=NN=N[N-]1	REAL300019828576	0	33	-1.0	-49.65	305.93	7.62	-42.03
CN(C(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1)C1=N[N-]N=N1	REAL300019828576	1	33	-1.0	-49.59	306.07	7.61	-41.98
CC(C)CC(CCC1=CC=CC=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019828577	0	44	-1.0	-33.16	328.24	10.12	-23.04
CC(C)CC(CCC1=CC=CC=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019828577	1	44	-1.0	-33.25	328.07	10.13	-23.12
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828578	0	34	-1.0	-45.46	291.65	6.77	-38.69
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828578	1	34	-1.0	-45.32	291.79	6.76	-38.56
CC1=NN=NN1C1=CC(F)=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019828579	0	31	-1.0	-43.44	277.49	5.03	-38.41
CC1=NN=NN1C1=CC(F)=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019828579	1	31	-1.0	-43.37	277.64	5.02	-38.35
CN(C(=O)C1=CC2=CN=CC(Br)=C2S1)C1=NN=N[N-]1	REAL300019828580	0	25	-1.0	-42.91	254.77	5.07	-37.84
CN(C(=O)C1=CC2=CN=CC(Br)=C2S1)C1=N[N-]N=N1	REAL300019828580	1	25	-1.0	-42.85	254.91	5.05	-37.80
CN(C(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300019828581	0	39	-1.0	-49.51	313.87	4.80	-44.71
CN(C(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300019828581	1	39	-1.0	-49.57	313.73	4.83	-44.74
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300019828582	0	36	-1.0	-52.03	301.47	6.44	-45.59
CN(C(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300019828582	1	36	-1.0	-52.07	301.33	6.47	-45.60
CN(C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=N[N-]N=N1	REAL300019828583	0	30	-1.0	-48.54	277.74	7.77	-40.77
CN(C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)C1=NN=N[N-]1	REAL300019828583	1	30	-1.0	-48.63	277.61	7.80	-40.83
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC2CCC1C2)C1=N[N-]N=N1	REAL300019828584	0	50	-1.0	-48.26	364.88	5.64	-42.62
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC2CCC1C2)C1=NN=N[N-]1	REAL300019828584	1	50	-1.0	-48.34	364.74	5.65	-42.69
CN(C(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL300019828585	0	33	-1.0	-31.83	279.12	4.66	-27.17
CN(C(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL300019828585	1	33	-1.0	-31.87	279.03	4.68	-27.19
CC1=CN=C(N2CCOCC2)N=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828586	0	37	-1.0	-46.81	307.07	3.98	-42.83
CC1=CN=C(N2CCOCC2)N=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828586	1	37	-1.0	-46.69	307.20	3.96	-42.73
CN(C(=O)C1=CC(Br)=CC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300019828587	0	29	-1.0	-52.35	285.07	3.10	-49.25
CN(C(=O)C1=CC(Br)=CC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300019828587	1	29	-1.0	-52.47	284.94	3.08	-49.39
CN(C(=O)C1=NSC2=CC(Br)=CC=C21)C1=NN=N[N-]1	REAL300019828588	0	25	-1.0	-43.82	254.14	6.27	-37.55
CN(C(=O)C1=NSC2=CC(Br)=CC=C21)C1=N[N-]N=N1	REAL300019828588	1	25	-1.0	-43.77	254.28	6.25	-37.52
CN(C(=O)C1=CC(Br)=C2OC=CC2=C1)C1=N[N-]N=N1	REAL300019828589	0	26	-1.0	-45.91	250.86	5.87	-40.04
CN(C(=O)C1=CC(Br)=C2OC=CC2=C1)C1=NN=N[N-]1	REAL300019828589	1	26	-1.0	-45.99	250.72	5.86	-40.13
CN(C(=O)C12CN(C(=O)OC(C)(C)C)CC1CCCCC2)C1=N[N-]N=N1	REAL300019828590	0	53	-1.0	-52.48	362.48	6.81	-45.67
CN(C(=O)C12CN(C(=O)OC(C)(C)C)CC1CCCCC2)C1=NN=N[N-]1	REAL300019828590	1	53	-1.0	-52.57	362.34	6.82	-45.75
CN(C(=O)C1CCCC1C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019828591	0	56	-1.0	-53.30	403.08	9.47	-43.83
CN(C(=O)C1CCCC1C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019828591	1	56	-1.0	-53.41	402.94	9.48	-43.93
CN(C(=O)C1C2=CC=C(F)C(F)=C2CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828592	0	47	-1.0	-46.03	376.20	8.37	-37.66
CN(C(=O)C1C2=CC=C(F)C(F)=C2CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828592	1	47	-1.0	-46.11	376.07	8.38	-37.73
COCCN1C=CC2=CC(C(=O)N(C)C3=NN=N[N-]3)=CC=C21	REAL300019828593	0	37	-1.0	-51.51	311.44	6.61	-44.90
COCCN1C=CC2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C21	REAL300019828593	1	37	-1.0	-51.44	311.58	6.60	-44.84
CN(C(=O)C1=C(Cl)N(C)C2=CC(Cl)=C(Cl)C=C21)C1=NN=N[N-]1	REAL300019828594	0	30	-1.0	-47.66	311.10	8.22	-39.44
CN(C(=O)C1=C(Cl)N(C)C2=CC(Cl)=C(Cl)C=C21)C1=N[N-]N=N1	REAL300019828594	1	30	-1.0	-47.58	311.26	8.21	-39.37
CN(C(=O)C1=CC2=C(Br)C=NC=C2C=C1)C1=NN=N[N-]1	REAL300019828595	0	28	-1.0	-46.58	262.87	5.94	-40.64
CN(C(=O)C1=CC2=C(Br)C=NC=C2C=C1)C1=N[N-]N=N1	REAL300019828595	1	28	-1.0	-46.54	263.01	5.94	-40.60
CN(C(=O)C1CC2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300019828596	0	35	-1.0	-55.54	277.71	2.34	-53.20
CN(C(=O)C1CC2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300019828596	1	35	-1.0	-55.58	277.57	2.36	-53.22
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019828597	0	34	-1.0	-49.27	300.88	7.20	-42.07
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019828597	1	34	-1.0	-49.35	300.75	7.22	-42.13
CN(C(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=N[N-]N=N1	REAL300019828598	0	29	-1.0	-40.98	276.64	4.24	-36.74
CN(C(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=NN=N[N-]1	REAL300019828598	1	29	-1.0	-41.03	276.50	4.24	-36.79
CCCCOC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019828599	0	40	-1.0	-48.34	333.19	8.29	-40.05
CCCCOC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019828599	1	40	-1.0	-48.46	333.04	8.29	-40.17
COC1=CC=C(Br)C(C(=O)N(C)C2=N[N-]N=N2)=C1C	REAL300019828600	0	30	-1.0	-48.50	276.86	5.54	-42.96
COC1=CC=C(Br)C(C(=O)N(C)C2=NN=N[N-]2)=C1C	REAL300019828600	1	30	-1.0	-48.57	276.72	5.55	-43.02
CN(C(=O)C1=C(Cl)C=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL300019828601	0	23	-1.0	-43.54	261.70	6.57	-36.97
CN(C(=O)C1=C(Cl)C=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL300019828601	1	23	-1.0	-43.63	261.56	6.58	-37.05
CCCCC(C(=O)N(C)C1=NN=N[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019828602	0	48	-1.0	-51.28	360.78	10.83	-40.45
CCCCC(C(=O)N(C)C1=N[N-]N=N1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019828602	1	48	-1.0	-51.25	360.92	10.83	-40.42
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828603	0	33	-1.0	-64.58	297.74	4.55	-60.03
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828603	1	33	-1.0	-64.48	297.87	4.54	-59.94
CN(C(=O)C1=CC(F)=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300019828604	0	23	-1.0	-40.23	235.81	5.63	-34.60
CN(C(=O)C1=CC(F)=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300019828604	1	23	-1.0	-40.29	235.67	5.62	-34.67
CN(C(=O)C(CCOCC(F)(F)F)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828605	0	46	-1.0	-53.92	385.18	4.27	-49.65
CN(C(=O)C(CCOCC(F)(F)F)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828605	1	46	-1.0	-53.98	385.04	4.30	-49.68
CN(C(=O)[C@H]1CCC=CCC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828606	0	50	-1.0	-32.65	357.55	7.50	-25.15
CN(C(=O)[C@H]1CCC=CCC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828606	1	50	-1.0	-32.69	357.38	7.53	-25.16
CCC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300019828607	0	31	-1.0	-50.07	282.47	4.17	-45.90
CCC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300019828607	1	31	-1.0	-49.97	282.62	4.18	-45.79
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019828608	0	40	-1.0	-55.53	340.87	1.64	-53.89
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019828608	1	40	-1.0	-55.45	341.01	1.63	-53.82
CN(C(=O)C1=CC=CC=C1NC(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019828609	0	41	-1.0	-47.80	345.42	7.68	-40.12
CN(C(=O)C1=CC=CC=C1NC(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019828609	1	41	-1.0	-47.90	345.28	7.69	-40.21
CN(C(=O)C1=CC=CC=C1NC(=O)N1CCCCC1)C1=NN=N[N-]1	REAL300019828610	0	42	-1.0	-47.08	330.09	7.08	-40.00
CN(C(=O)C1=CC=CC=C1NC(=O)N1CCCCC1)C1=N[N-]N=N1	REAL300019828610	1	42	-1.0	-46.97	330.22	7.07	-39.90
CN(C(=O)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1)C1=NN=N[N-]1	REAL300019828611	0	31	-2.0	-90.59	294.85	5.42	-85.17
CN(C(=O)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1)C1=N[N-]N=N1	REAL300019828611	1	31	-2.0	-90.56	294.99	5.41	-85.15
CN(C(=O)C1=C2N=CNC2=CC(Br)=C1)C1=NN=N[N-]1	REAL300019828612	0	26	-1.0	-56.71	252.07	5.23	-51.48
CN(C(=O)C1=C2N=CNC2=CC(Br)=C1)C1=N[N-]N=N1	REAL300019828612	1	26	-1.0	-56.65	252.20	5.22	-51.43
CN(C(=O)C1=C2NC=NC2=CC(Br)=C1)C1=NN=N[N-]1	REAL300019828612	1	26	-1.0	-44.20	252.11	5.22	-38.98
CN(C(=O)C1=C2NC=NC2=CC(Br)=C1)C1=N[N-]N=N1	REAL300019828612	1	26	-1.0	-44.13	252.24	5.20	-38.93
CN(C(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=NN=N[N-]1	REAL300019828613	0	36	-1.0	-54.67	313.25	7.52	-47.15
CN(C(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)C1=N[N-]N=N1	REAL300019828613	1	36	-1.0	-54.54	313.39	7.53	-47.01
CN(C(=O)C1=NNC2=C1CCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019828614	0	44	-1.0	-52.43	349.74	5.11	-47.32
CN(C(=O)C1=NNC2=C1CCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019828614	1	44	-1.0	-52.52	349.60	5.11	-47.41
CN(C(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019828615	0	41	-1.0	-51.64	350.23	8.04	-43.60
CN(C(=O)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019828615	1	41	-1.0	-51.56	350.37	8.05	-43.51
CN(C(=O)C1=C(Br)C=CC(F)=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300019828616	0	27	-1.0	-48.39	281.95	5.65	-42.74
CN(C(=O)C1=C(Br)C=CC(F)=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300019828616	1	27	-1.0	-48.47	281.80	5.67	-42.80
CN(C(=O)C1=CC(Cl)=NN1C1=NC=CC=C1Cl)C1=NN=N[N-]1	REAL300019828617	0	29	-1.0	-46.80	279.81	7.35	-39.45
CN(C(=O)C1=CC(Cl)=NN1C1=NC=CC=C1Cl)C1=N[N-]N=N1	REAL300019828617	1	29	-1.0	-46.71	279.95	7.35	-39.36
CN(C(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=N[N-]N=N1	REAL300019828618	0	33	-1.0	-46.14	286.00	6.10	-40.04
CN(C(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=NN=N[N-]1	REAL300019828618	1	33	-1.0	-46.24	285.86	6.13	-40.11
CN(C(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL300019828619	0	27	-1.0	-42.38	256.66	4.15	-38.23
CN(C(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL300019828619	1	27	-1.0	-42.50	256.53	4.17	-38.33
CN(C(=O)CCC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300019828620	0	26	-1.0	-45.77	260.94	6.40	-39.37
CN(C(=O)CCC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300019828620	1	26	-1.0	-45.82	260.80	6.44	-39.38
CN(C(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=N[N-]N=N1	REAL300019828621	0	29	-1.0	-53.42	273.21	6.10	-47.32
CN(C(=O)CC1=C(Br)C=C2N=CNC2=C1)C1=NN=N[N-]1	REAL300019828621	1	29	-1.0	-53.49	273.08	6.13	-47.36
CN(C(=O)CC1=C(Br)C=C2NC=NC2=C1)C1=N[N-]N=N1	REAL300019828621	1	29	-1.0	-52.85	273.05	6.09	-46.76
CN(C(=O)CC1=C(Br)C=C2NC=NC2=C1)C1=NN=N[N-]1	REAL300019828621	1	29	-1.0	-52.91	272.92	6.12	-46.79
CN(C(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828622	0	44	-1.0	-34.14	334.89	8.15	-25.99
CN(C(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828622	1	44	-1.0	-34.14	334.75	8.17	-25.97
CN(C(=O)CCC1=C(Br)C=NC=C1Br)C1=N[N-]N=N1	REAL300019828623	0	28	-1.0	-44.66	282.84	6.02	-38.64
CN(C(=O)CCC1=C(Br)C=NC=C1Br)C1=NN=N[N-]1	REAL300019828623	1	28	-1.0	-44.74	282.70	6.05	-38.69
CN(C(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019828624	0	42	-1.0	-58.75	349.53	7.38	-51.37
CN(C(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019828624	1	42	-1.0	-58.86	349.40	7.40	-51.46
CN(C(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=N[N-]N=N1	REAL300019828625	0	29	-1.0	-54.90	279.94	2.97	-51.93
CN(C(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=NN=N[N-]1	REAL300019828625	1	29	-1.0	-55.02	279.81	2.96	-52.06
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL300019828626	0	29	-1.0	-47.42	276.65	6.87	-40.55
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL300019828626	1	29	-1.0	-47.52	276.52	6.87	-40.65
CN(C(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL300019828627	0	25	-1.0	-38.77	247.94	3.75	-35.02
CN(C(=O)C1=CC(F)=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL300019828627	1	25	-1.0	-38.80	247.80	3.77	-35.03
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC2CCC1CC2)C1=N[N-]N=N1	REAL300019828628	0	53	-1.0	-48.21	373.81	7.59	-40.62
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC2CCC1CC2)C1=NN=N[N-]1	REAL300019828628	1	53	-1.0	-48.28	373.68	7.60	-40.68
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)N(C)C3=N[N-]N=N3)N2C(=O)OC(C)(C)C)O1	REAL300019828629	0	48	-1.0	-50.38	369.54	6.41	-43.97
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)N(C)C3=NN=N[N-]3)N2C(=O)OC(C)(C)C)O1	REAL300019828629	1	48	-1.0	-50.45	369.41	6.44	-44.01
CN(C(=O)C1=COC(C2CCN(C(=O)OC(C)(C)C)CC2)=N1)C1=N[N-]N=N1	REAL300019828630	0	49	-1.0	-48.79	389.90	5.52	-43.27
CN(C(=O)C1=COC(C2CCN(C(=O)OC(C)(C)C)CC2)=N1)C1=NN=N[N-]1	REAL300019828630	1	49	-1.0	-48.89	389.76	5.55	-43.34
CN(C(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019828631	0	39	-1.0	-45.64	329.54	3.48	-42.16
CN(C(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019828631	1	39	-1.0	-45.70	329.40	3.50	-42.20
CN(C(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019828632	0	45	-1.0	-55.69	359.78	2.68	-53.01
CN(C(=O)C1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019828632	1	45	-1.0	-55.81	359.64	2.69	-53.12
COC1(CC(=O)N(C)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019828633	0	44	-1.0	-54.72	351.71	4.75	-49.97
COC1(CC(=O)N(C)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019828633	1	44	-1.0	-54.80	351.57	4.77	-50.03
CN(C(=O)C1=CN(C(C)(C)C)N=C1C(C)(C)C)C1=NN=N[N-]1	REAL300019828634	0	44	-1.0	-47.66	339.91	7.02	-40.64
CN(C(=O)C1=CN(C(C)(C)C)N=C1C(C)(C)C)C1=N[N-]N=N1	REAL300019828634	1	44	-1.0	-47.56	340.06	7.00	-40.56
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N1C=C(C(=O)N(C)C2=NN=N[N-]2)N=N1	REAL300019828635	0	49	-1.0	-48.47	393.09	5.57	-42.90
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N1C=C(C(=O)N(C)C2=N[N-]N=N2)N=N1	REAL300019828635	1	49	-1.0	-48.36	393.24	5.55	-42.81
CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CC[C@@H](C2)C1)C1=N[N-]N=N1	REAL300019828636	0	50	-1.0	-53.53	348.36	8.04	-45.49
CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2CC[C@@H](C2)C1)C1=NN=N[N-]1	REAL300019828636	1	50	-1.0	-53.59	348.23	8.04	-45.55
CN(C(=O)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828637	0	43	-1.0	-59.34	336.10	4.29	-55.05
CN(C(=O)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828637	1	43	-1.0	-59.41	335.97	4.30	-55.11
CN(C(=O)C12COC(CNC(=O)OC(C)(C)C)(C1)CCC2)C1=N[N-]N=N1	REAL300019828638	0	51	-1.0	-50.51	375.81	4.13	-46.38
CN(C(=O)C12COC(CNC(=O)OC(C)(C)C)(C1)CCC2)C1=NN=N[N-]1	REAL300019828638	1	51	-1.0	-50.58	375.67	4.15	-46.43
COC1=CC=C(C=CC(=O)N(C)C2=N[N-]N=N2)C(OC)=C1OC	REAL300019828639	0	39	-1.0	-53.20	332.82	5.76	-47.44
COC1=CC=C(C=CC(=O)N(C)C2=NN=N[N-]2)C(OC)=C1OC	REAL300019828639	1	39	-1.0	-53.28	332.67	5.78	-47.50
CN(C(=O)C1COC=CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828640	0	39	-1.0	-38.56	312.15	4.87	-33.69
CN(C(=O)C1COC=CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828640	1	39	-1.0	-38.56	312.04	4.89	-33.67
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC2(CC(F)(F)C2)C1)C1=N[N-]N=N1	REAL300019828641	0	47	-1.0	-58.65	379.30	6.85	-51.80
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC2(CC(F)(F)C2)C1)C1=NN=N[N-]1	REAL300019828641	1	47	-1.0	-58.75	379.16	6.87	-51.88
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC(C)(C)C1)C1=N[N-]N=N1	REAL300019828642	0	49	-1.0	-48.67	369.24	5.20	-43.47
CN(C(=O)C1(CNC(=O)OC(C)(C)C)CC(C)(C)C1)C1=NN=N[N-]1	REAL300019828642	1	49	-1.0	-48.73	369.11	5.21	-43.52
CN(C(=O)C1(C2CC2)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828643	0	47	-1.0	-55.32	352.61	7.06	-48.26
CN(C(=O)C1(C2CC2)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828643	1	47	-1.0	-55.38	352.47	7.06	-48.32
CC=CC1=CC=C(OCC(=O)N(C)C2=N[N-]N=N2)C(OC)=C1	REAL300019828644	0	38	-1.0	-55.26	320.79	7.58	-47.68
CC=CC1=CC=C(OCC(=O)N(C)C2=NN=N[N-]2)C(OC)=C1	REAL300019828644	1	38	-1.0	-55.33	320.66	7.61	-47.72
CN(C(=O)C1(C2=CC=C(NC(=O)OC(C)(C)C)C=C2)CC1)C1=N[N-]N=N1	REAL300019828645	0	47	-1.0	-49.08	376.78	7.08	-42.00
CN(C(=O)C1(C2=CC=C(NC(=O)OC(C)(C)C)C=C2)CC1)C1=NN=N[N-]1	REAL300019828645	1	47	-1.0	-49.19	376.64	7.10	-42.09
CN(C(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300019828646	0	47	-1.0	-54.60	369.64	4.65	-49.95
CN(C(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300019828646	1	47	-1.0	-54.68	369.50	4.68	-50.00
CN(C(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828647	0	47	-1.0	-55.54	347.50	6.48	-49.06
CN(C(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828647	1	47	-1.0	-55.63	347.37	6.51	-49.12
CN(C(=O)C1CCC2(CC(NC(=O)OC(C)(C)C)C2)CC1)C1=N[N-]N=N1	REAL300019828648	0	53	-1.0	-54.13	395.96	6.66	-47.47
CN(C(=O)C1CCC2(CC(NC(=O)OC(C)(C)C)C2)CC1)C1=NN=N[N-]1	REAL300019828648	1	53	-1.0	-54.22	395.82	6.69	-47.53
CN(C(=O)CC1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828649	0	59	-1.0	-51.08	421.40	9.39	-41.69
CN(C(=O)CC1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828649	1	59	-1.0	-51.16	421.27	9.41	-41.75
CN(C(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019828650	0	40	-1.0	-34.22	306.35	7.96	-26.26
CN(C(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019828650	1	40	-1.0	-34.23	306.15	7.98	-26.25
CN(C(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828651	0	50	-1.0	-49.94	378.61	7.84	-42.10
CN(C(=O)C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828651	1	50	-1.0	-50.03	378.48	7.87	-42.16
CN(C(=O)C1CN2N=CC=C2CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828652	0	47	-1.0	-48.86	366.04	5.83	-43.03
CN(C(=O)C1CN2N=CC=C2CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828652	1	47	-1.0	-49.01	365.91	5.85	-43.16
CN(C(=O)C1=CC2=C(Br)C=CC=C2C=C1)C1=NN=N[N-]1	REAL300019828653	0	29	-1.0	-51.80	267.61	7.71	-44.09
CN(C(=O)C1=CC2=C(Br)C=CC=C2C=C1)C1=N[N-]N=N1	REAL300019828653	1	29	-1.0	-51.72	267.75	7.71	-44.01
CN(C(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019828654	0	35	-1.0	-45.21	306.21	8.91	-36.30
CN(C(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019828654	1	35	-1.0	-45.16	306.35	8.89	-36.27
CN(C(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300019828655	0	36	-1.0	-45.59	305.77	6.69	-38.90
CN(C(=O)C1=CC(Br)=CC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300019828655	1	36	-1.0	-45.66	305.63	6.69	-38.97
CN(C(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300019828656	0	40	-1.0	-60.18	339.91	4.29	-55.89
CN(C(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019828656	1	40	-1.0	-60.25	339.76	4.30	-55.95
CN(C(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019828657	0	33	-1.0	-46.65	299.32	6.36	-40.29
CN(C(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300019828657	1	33	-1.0	-46.77	299.18	6.38	-40.39
CN(C(=O)C1=CC=C(C(F)(F)F)C(F)=C1Br)C1=N[N-]N=N1	REAL300019828658	0	26	-1.0	-45.09	261.64	6.54	-38.55
CN(C(=O)C1=CC=C(C(F)(F)F)C(F)=C1Br)C1=NN=N[N-]1	REAL300019828658	1	26	-1.0	-45.16	261.50	6.54	-38.62
CN(C(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300019828659	0	31	-1.0	-45.56	289.27	6.93	-38.63
CN(C(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300019828659	1	31	-1.0	-45.63	289.12	6.93	-38.70
CN(C(=O)C1C(C2CC2)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828660	0	47	-1.0	-57.26	362.93	7.49	-49.77
CN(C(=O)C1C(C2CC2)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828660	1	47	-1.0	-57.36	362.80	7.49	-49.87
COC(=O)C1CC(CCC(=O)N(C)C2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300019828661	0	52	-1.0	-53.81	415.07	7.79	-46.02
COC(=O)C1CC(CCC(=O)N(C)C2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300019828661	1	52	-1.0	-53.86	414.93	7.83	-46.03
CN(C(=O)C1(C)CC2=CC(Cl)=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL300019828662	0	33	-1.0	-42.72	291.42	7.17	-35.55
CN(C(=O)C1(C)CC2=CC(Cl)=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL300019828662	1	33	-1.0	-42.77	291.29	7.20	-35.57
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828663	0	43	-1.0	-41.71	342.82	4.69	-37.02
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828663	1	43	-1.0	-41.76	342.68	4.70	-37.06
CN(C(=O)C1=CSC(CC2CCN(C(=O)OC(C)(C)C)C2)=N1)C1=N[N-]N=N1	REAL300019828664	0	49	-1.0	-60.36	404.23	7.48	-52.88
CN(C(=O)C1=CSC(CC2CCN(C(=O)OC(C)(C)C)C2)=N1)C1=NN=N[N-]1	REAL300019828664	1	49	-1.0	-60.45	404.09	7.50	-52.95
CC(C)C[C@H](NC(=O)C1=CC=C(Cl)C=C1Cl)C(=O)N(C)C1=N[N-]N=N1	REAL300019828665	0	42	-1.0	-41.85	359.79	7.81	-34.04
CC(C)C[C@H](NC(=O)C1=CC=C(Cl)C=C1Cl)C(=O)N(C)C1=NN=N[N-]1	REAL300019828665	1	42	-1.0	-41.96	359.67	7.84	-34.12
CN(C(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=NN=N[N-]1	REAL300019828666	0	37	-1.0	-57.72	300.32	6.34	-51.38
CN(C(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=N[N-]N=N1	REAL300019828666	1	37	-1.0	-57.64	300.46	6.33	-51.31
CN(C(=O)C1(C2=CC=CC=C2)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019828667	0	33	-1.0	-50.83	284.19	7.67	-43.16
CN(C(=O)C1(C2=CC=CC=C2)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019828667	1	33	-1.0	-50.86	284.06	7.67	-43.19
CN(C(=O)CCC1=CC=CC(Br)=C1F)C1=N[N-]N=N1	REAL300019828668	0	29	-1.0	-48.60	277.31	7.41	-41.19
CN(C(=O)CCC1=CC=CC(Br)=C1F)C1=NN=N[N-]1	REAL300019828668	1	29	-1.0	-48.66	277.18	7.44	-41.22
CN(C(=O)C(CC1=CSC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828669	0	43	-1.0	-43.20	345.09	4.86	-38.34
CN(C(=O)C(CC1=CSC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828669	1	43	-1.0	-43.30	344.95	4.87	-38.43
CN(C(=O)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1)C1=N[N-]N=N1	REAL300019828670	0	45	-1.0	-45.53	363.06	10.37	-35.16
CN(C(=O)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1)C1=NN=N[N-]1	REAL300019828670	1	45	-1.0	-45.52	362.93	10.40	-35.12
CN(C(=O)[C@]12C[C@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019828671	0	41	-1.0	-48.82	331.61	4.60	-44.22
CN(C(=O)[C@]12C[C@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019828671	1	41	-1.0	-48.92	331.47	4.62	-44.30
CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300019828672	0	48	-1.0	-53.15	384.82	6.10	-47.05
CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300019828672	1	48	-1.0	-53.20	384.69	6.12	-47.08
COC1=CC(Br)=C(C(=O)N(C)C2=N[N-]N=N2)C=C1F	REAL300019828673	0	27	-1.0	-44.50	253.71	4.89	-39.61
COC1=CC(Br)=C(C(=O)N(C)C2=NN=N[N-]2)C=C1F	REAL300019828673	1	27	-1.0	-44.59	253.57	4.90	-39.69
CN(C(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=N[N-]N=N1	REAL300019828674	0	41	-1.0	-46.99	327.00	4.60	-42.39
CN(C(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=NN=N[N-]1	REAL300019828674	1	41	-1.0	-47.06	326.84	4.61	-42.45
CN(C(=O)C1N(C(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL300019828675	0	44	-1.0	-52.90	348.29	6.43	-46.47
CN(C(=O)C1N(C(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL300019828675	1	44	-1.0	-52.93	348.16	6.46	-46.47
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C12COC2)C1=N[N-]N=N1	REAL300019828676	0	45	-1.0	-51.80	342.86	4.68	-47.12
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C12COC2)C1=NN=N[N-]1	REAL300019828676	1	45	-1.0	-51.90	342.72	4.70	-47.20
CN(C(=O)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O)C1=N[N-]N=N1	REAL300019828677	0	41	-1.0	-50.90	347.01	3.62	-47.28
CN(C(=O)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O)C1=NN=N[N-]1	REAL300019828677	1	41	-1.0	-51.00	346.82	3.62	-47.38
CN(C(=O)C1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=N[N-]N=N1	REAL300019828678	0	41	-1.0	-54.33	348.60	3.63	-50.70
CN(C(=O)C1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=NN=N[N-]1	REAL300019828678	1	41	-1.0	-54.35	348.46	3.64	-50.71
CN(C(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300019828679	0	35	-1.0	-46.62	293.40	3.49	-43.13
CN(C(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300019828679	1	35	-1.0	-46.58	293.55	3.50	-43.08
CN(C(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300019828680	0	31	-1.0	-49.90	277.01	3.83	-46.07
CN(C(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300019828680	1	31	-1.0	-49.81	277.15	3.81	-46.00
COC(=O)C1=CC=CC2=C(C(=O)N(C)C3=NN=N[N-]3)C=CC=C12	REAL300019828681	0	35	-1.0	-47.75	297.06	7.67	-40.08
COC(=O)C1=CC=CC2=C(C(=O)N(C)C3=N[N-]N=N3)C=CC=C12	REAL300019828681	1	35	-1.0	-47.66	297.20	7.67	-39.99
CCOCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=N[N-]N=N1	REAL300019828682	0	43	-1.0	-35.34	343.23	3.00	-32.34
CCOCC(NC(=O)OC(C)(C)C)C(=O)N(C)C1=NN=N[N-]1	REAL300019828682	1	43	-1.0	-35.38	343.10	2.99	-32.39
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C2(CCC2)CO1)C1=N[N-]N=N1	REAL300019828683	0	51	-1.0	-51.65	385.58	6.89	-44.76
CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C2(CCC2)CO1)C1=NN=N[N-]1	REAL300019828683	1	51	-1.0	-51.69	385.45	6.92	-44.77
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300019828684	0	45	-1.0	-44.26	372.76	4.01	-40.25
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300019828684	1	45	-1.0	-44.36	372.62	4.03	-40.33
CN(C(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019828685	0	50	-1.0	-51.91	379.13	7.80	-44.11
CN(C(=O)C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019828685	1	50	-1.0	-52.01	378.99	7.83	-44.18
CN(C(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828686	0	46	-1.0	-57.37	353.79	6.50	-50.87
CN(C(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828686	1	46	-1.0	-57.44	353.65	6.52	-50.92
CN(C(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828687	0	50	-1.0	-53.02	373.95	7.98	-45.04
CN(C(=O)C1CC1C1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828687	1	50	-1.0	-53.08	373.82	8.00	-45.08
CN(C(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828688	0	43	-1.0	-49.58	335.33	4.18	-45.40
CN(C(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828688	1	43	-1.0	-49.64	335.20	4.18	-45.46
CN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]2O1)C1=N[N-]N=N1	REAL300019828689	0	49	-1.0	-48.98	372.92	4.57	-44.41
CN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]2O1)C1=NN=N[N-]1	REAL300019828689	1	49	-1.0	-48.99	372.79	4.60	-44.39
CN(C(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019828690	0	44	-1.0	-52.01	351.54	5.43	-46.58
CN(C(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019828690	1	44	-1.0	-52.05	351.41	5.45	-46.60
CN(C(=O)CC1CCC2CN(C(=O)OC(C)(C)C)CCC2C1)C1=N[N-]N=N1	REAL300019828691	0	56	-1.0	-51.73	414.23	9.22	-42.51
CN(C(=O)CC1CCC2CN(C(=O)OC(C)(C)C)CCC2C1)C1=NN=N[N-]1	REAL300019828691	1	56	-1.0	-51.81	414.10	9.24	-42.57
CCOC(=O)C1(C(=O)N(C)C2=N[N-]N=N2)CCCN(C(=O)OC(C)(C)C)C1	REAL300019828692	0	52	-1.0	-44.29	391.66	7.31	-36.98
CCOC(=O)C1(C(=O)N(C)C2=NN=N[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300019828692	1	52	-1.0	-44.02	390.85	7.28	-36.74
COC1=CC=CC2=C1CC(C(=O)N(C)C1=N[N-]N=N1)N2C(=O)OC(C)(C)C	REAL300019828693	0	48	-1.0	-58.04	380.79	7.49	-50.55
COC1=CC=CC2=C1CC(C(=O)N(C)C1=NN=N[N-]1)N2C(=O)OC(C)(C)C	REAL300019828693	1	48	-1.0	-58.15	380.65	7.51	-50.64
CN(C(=O)C(NC(=O)OC(C)(C)C)(C1CC1)C(F)(F)F)C1=N[N-]N=N1	REAL300019828694	0	43	-1.0	-49.92	336.82	5.55	-44.37
CN(C(=O)C(NC(=O)OC(C)(C)C)(C1CC1)C(F)(F)F)C1=NN=N[N-]1	REAL300019828694	1	43	-1.0	-49.98	336.69	5.56	-44.42
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C12CCC2)C1=N[N-]N=N1	REAL300019828695	0	47	-1.0	-50.41	351.41	6.40	-44.01
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)C12CCC2)C1=NN=N[N-]1	REAL300019828695	1	47	-1.0	-50.48	351.28	6.41	-44.07
CN(C(=O)C1=C2CN(C(=O)OC(C)(C)C)CCC2=NN1C)C1=N[N-]N=N1	REAL300019828696	0	47	-1.0	-47.88	377.68	6.00	-41.88
CN(C(=O)C1=C2CN(C(=O)OC(C)(C)C)CCC2=NN1C)C1=NN=N[N-]1	REAL300019828696	1	47	-1.0	-50.87	377.02	5.99	-44.88
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)N(C)C1=N[N-]N=N1)C(F)(F)F	REAL300019828697	0	45	-1.0	-47.55	339.18	5.81	-41.74
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)N(C)C1=NN=N[N-]1)C(F)(F)F	REAL300019828697	1	45	-1.0	-47.60	339.05	5.80	-41.80
CN(C(=O)C1=C(F)C=C(Br)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300019828698	0	25	-1.0	-54.06	261.56	6.69	-47.37
CN(C(=O)C1=C(F)C=C(Br)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300019828698	1	25	-1.0	-54.10	261.42	6.71	-47.39
CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300019828699	0	37	-1.0	-49.58	314.71	3.90	-45.68
CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300019828699	1	37	-1.0	-49.69	314.56	3.91	-45.78
CN(C(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828700	0	44	-1.0	-58.97	338.01	6.47	-52.50
CN(C(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828700	1	44	-1.0	-59.06	337.87	6.49	-52.57
CN(C(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=N[N-]N=N1	REAL300019828701	0	26	-1.0	-46.65	257.66	6.33	-40.32
CN(C(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NN=N[N-]1	REAL300019828701	1	26	-1.0	-46.68	257.52	6.35	-40.33
CN(C(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=N[N-]N=N1	REAL300019828702	0	34	-1.0	-51.07	301.69	1.48	-49.59
CN(C(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=NN=N[N-]1	REAL300019828702	1	34	-1.0	-51.11	301.55	1.51	-49.60
CN(C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=N[N-]N=N1	REAL300019828703	0	29	-1.0	-43.38	278.22	7.21	-36.17
CN(C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1)C1=NN=N[N-]1	REAL300019828703	1	29	-1.0	-43.46	278.08	7.24	-36.22
CN(C(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=N[N-]N=N1	REAL300019828704	0	36	-1.0	-48.54	317.31	8.90	-39.64
CN(C(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NN=N[N-]1	REAL300019828704	1	36	-1.0	-48.60	317.18	8.93	-39.67
CON(CCC(=O)N(C)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019828705	0	40	-1.0	-47.40	328.80	5.35	-42.05
CON(CCC(=O)N(C)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019828705	1	40	-1.0	-47.50	328.66	5.39	-42.11
CN(C(=O)C1=CC2=NNN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300019828706	0	25	-1.0	-43.75	244.55	2.80	-40.95
CN(C(=O)C1=CC2=NNN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300019828706	1	25	-1.0	-43.85	244.39	2.79	-41.06
CN(C(=O)C(C)(C)C1(O)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828707	0	50	-1.0	-38.77	363.72	3.61	-35.16
CN(C(=O)C(C)(C)C1(O)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828707	1	50	-1.0	-38.87	363.59	3.62	-35.25
CN(C(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300019828708	0	36	-1.0	-42.63	302.89	3.82	-38.81
CN(C(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300019828708	1	36	-1.0	-42.68	302.76	3.83	-38.85
CN(C(=O)C(CCCCCC1OCCO1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828709	0	57	-1.0	-40.69	443.96	6.00	-34.69
CN(C(=O)C(CCCCCC1OCCO1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828709	1	57	-1.0	-40.72	443.81	6.02	-34.70
CN(C(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300019828710	0	30	-1.0	-47.90	285.64	8.07	-39.83
CN(C(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300019828710	1	30	-1.0	-47.96	285.51	8.09	-39.87
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)N(C)C1=N[N-]N=N1	REAL300019828711	0	29	-1.0	-51.24	292.24	5.35	-45.89
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)N(C)C1=NN=N[N-]1	REAL300019828711	1	29	-1.0	-51.33	292.10	5.38	-45.95
CN(C(=O)CCN1C2=C(C=C(Cl)C=C2)C2=C1C=CC(Cl)=C2)C1=N[N-]N=N1	REAL300019828712	0	39	-1.0	-43.69	363.52	11.05	-32.64
CN(C(=O)CCN1C2=C(C=C(Cl)C=C2)C2=C1C=CC(Cl)=C2)C1=NN=N[N-]1	REAL300019828712	1	39	-1.0	-43.75	363.38	11.09	-32.66
CN(C(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=N[N-]N=N1	REAL300019828713	0	31	-1.0	-53.45	291.41	7.10	-46.35
CN(C(=O)C1CC(C2=CC=CC(Br)=C2)=NO1)C1=NN=N[N-]1	REAL300019828713	1	31	-1.0	-53.53	291.28	7.11	-46.42
CN(C(=O)CN1C=C(I)C=N1)C1=NN=N[N-]1	REAL300019828714	0	23	-1.0	-52.92	238.18	4.46	-48.46
CN(C(=O)CN1C=C(I)C=N1)C1=N[N-]N=N1	REAL300019828714	1	23	-1.0	-52.80	238.32	4.43	-48.37
CN(C(=O)C1=CN=C2C=C(Br)C=CN12)C1=NN=N[N-]1	REAL300019828715	0	26	-1.0	-45.58	247.03	5.84	-39.74
CN(C(=O)C1=CN=C2C=C(Br)C=CN12)C1=N[N-]N=N1	REAL300019828715	1	26	-1.0	-45.50	247.18	5.82	-39.68
CN(C(=O)CCC1=C(C2=CC=CC=C2)NC2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL300019828716	0	43	-1.0	-46.90	376.70	10.69	-36.21
CN(C(=O)CCC1=C(C2=CC=CC=C2)NC2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL300019828716	1	43	-1.0	-47.02	376.56	10.73	-36.29
CN(C(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=NN=N[N-]1	REAL300019828717	0	33	-1.0	-55.58	287.32	1.31	-54.27
CN(C(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1)C1=N[N-]N=N1	REAL300019828717	1	33	-1.0	-55.48	287.46	1.28	-54.20
CN(C(=O)C12CCC(CC1NC(=O)OC(C)(C)C)C2(C)C)C1=N[N-]N=N1	REAL300019828718	0	53	-1.0	-48.00	376.38	6.93	-41.07
CN(C(=O)C12CCC(CC1NC(=O)OC(C)(C)C)C2(C)C)C1=NN=N[N-]1	REAL300019828718	1	53	-1.0	-48.09	376.25	6.96	-41.13
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC2CCC(C2)C1)C1=N[N-]N=N1	REAL300019828719	0	50	-1.0	-54.92	341.30	5.57	-49.35
CN(C(=O)C1(NC(=O)OC(C)(C)C)CC2CCC(C2)C1)C1=NN=N[N-]1	REAL300019828719	1	50	-1.0	-55.07	341.16	5.56	-49.51
COC1=C(Cl)C=C(C(=O)N(C)C2=NN=N[N-]2)C2=NC=CC=C21	REAL300019828720	0	32	-1.0	-52.99	289.54	5.67	-47.32
COC1=C(Cl)C=C(C(=O)N(C)C2=N[N-]N=N2)C2=NC=CC=C21	REAL300019828720	1	32	-1.0	-52.88	289.69	5.66	-47.22
CN(C(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=NN=N[N-]1	REAL300019828721	0	38	-1.0	-51.04	321.49	5.31	-45.73
CN(C(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C)C1=N[N-]N=N1	REAL300019828721	1	38	-1.0	-50.98	321.63	5.31	-45.67
CN(C(=O)C1(C#N)CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828722	0	44	-1.0	-44.88	342.64	5.76	-39.12
CN(C(=O)C1(C#N)CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828722	1	44	-1.0	-44.97	342.51	5.77	-39.20
CN(C(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1F)C1=N[N-]N=N1	REAL300019828723	0	40	-1.0	-55.64	334.95	5.30	-50.34
CN(C(=O)C1=CC=C(F)C(NC(=O)OC(C)(C)C)=C1F)C1=NN=N[N-]1	REAL300019828723	1	40	-1.0	-55.69	334.81	5.31	-50.38
CN(C(=O)C1CCC(C(F)(F)F)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019828724	0	35	-1.0	-47.53	302.33	7.05	-40.48
CN(C(=O)C1CCC(C(F)(F)F)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019828724	1	35	-1.0	-47.65	302.22	7.07	-40.58
CN(C(=O)C(F)(F)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019828725	0	29	-1.0	-38.98	280.21	7.36	-31.62
CN(C(=O)C(F)(F)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019828725	1	29	-1.0	-39.02	280.07	7.39	-31.63
CN(C(=O)C1=CC2=C(CCC(C(C)(C)C)C2)NC1=O)C1=N[N-]N=N1	REAL300019828726	0	45	-1.0	-60.53	346.11	6.50	-54.03
CN(C(=O)C1=CC2=C(CCC(C(C)(C)C)C2)NC1=O)C1=NN=N[N-]1	REAL300019828726	1	45	-1.0	-60.59	345.98	6.51	-54.08
CN(C(=O)C1=COC(CN2C=C(Br)C=N2)=C1)C1=NN=N[N-]1	REAL300019828727	0	30	-1.0	-54.62	289.41	5.49	-49.13
CN(C(=O)C1=COC(CN2C=C(Br)C=N2)=C1)C1=N[N-]N=N1	REAL300019828727	1	30	-1.0	-54.55	289.56	5.47	-49.08
CN(C(=O)CC1=C(F)C=CC(F)=C1Br)C1=N[N-]N=N1	REAL300019828728	0	26	-1.0	-47.21	258.96	6.54	-40.67
CN(C(=O)CC1=C(F)C=CC(F)=C1Br)C1=NN=N[N-]1	REAL300019828728	1	26	-1.0	-47.31	258.82	6.57	-40.74
CN(C(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1)C1=N[N-]N=N1	REAL300019828729	0	37	-1.0	-61.27	308.76	4.76	-56.51
CN(C(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1)C1=NN=N[N-]1	REAL300019828729	1	37	-1.0	-61.31	308.62	4.75	-56.56
CN(C(=O)CCCONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019828730	0	40	-1.0	-57.00	331.24	4.16	-52.84
CN(C(=O)CCCONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019828730	1	40	-1.0	-57.07	331.10	4.19	-52.88
CN(C(=O)C1=NOC(COC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019828731	0	33	-1.0	-46.30	292.91	6.30	-40.00
CN(C(=O)C1=NOC(COC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019828731	1	33	-1.0	-46.37	292.77	6.32	-40.05
CN(C(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL300019828732	0	32	-1.0	-48.25	290.34	8.15	-40.10
CN(C(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL300019828732	1	32	-1.0	-48.18	290.48	8.13	-40.05
CN(C(=O)C(O)C1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300019828733	0	27	-1.0	-42.75	260.27	3.86	-38.89
CN(C(=O)C(O)C1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300019828733	1	27	-1.0	-42.78	260.13	3.89	-38.89
CN(C(=O)CC1=C(Br)C=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300019828734	0	26	-1.0	-46.60	269.44	7.01	-39.59
CN(C(=O)CC1=C(Br)C=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300019828734	1	26	-1.0	-46.70	269.30	7.04	-39.66
CN(C(=O)CC1=CC=C(Br)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300019828735	0	32	-1.0	-48.58	290.96	8.60	-39.98
CN(C(=O)CC1=CC=C(Br)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300019828735	1	32	-1.0	-48.66	290.83	8.63	-40.03
CN(C(=O)C1=COC2=CC=C(Br)C=C12)C1=NN=N[N-]1	REAL300019828736	0	26	-1.0	-50.87	253.50	6.07	-44.80
CN(C(=O)C1=COC2=CC=C(Br)C=C12)C1=N[N-]N=N1	REAL300019828736	1	26	-1.0	-50.78	253.64	6.05	-44.73
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019828737	0	47	-1.0	-48.18	359.38	5.22	-42.96
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019828737	1	47	-1.0	-48.29	359.24	5.24	-43.05
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N(C)C1=N[N-]N=N1	REAL300019828738	0	32	-1.0	-44.82	293.63	7.94	-36.88
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N(C)C1=NN=N[N-]1	REAL300019828738	1	32	-1.0	-44.99	293.50	7.96	-37.03
CN(C(=O)C1=CC2=CC=C(Br)C=C2O1)C1=N[N-]N=N1	REAL300019828739	0	26	-1.0	-42.43	254.84	6.41	-36.02
CN(C(=O)C1=CC2=CC=C(Br)C=C2O1)C1=NN=N[N-]1	REAL300019828739	1	26	-1.0	-42.51	254.70	6.42	-36.09
CC1=C(F)C=C(C(=O)N(C)C2=N[N-]N=N2)C=C1I	REAL300019828740	0	26	-1.0	-42.57	253.72	6.58	-35.99
CC1=C(F)C=C(C(=O)N(C)C2=NN=N[N-]2)C=C1I	REAL300019828740	1	26	-1.0	-42.66	253.58	6.57	-36.09
CC(CN1C=C(C(=O)N(C)C2=NN=N[N-]2)C=N1)NC(=O)OC(C)(C)C	REAL300019828741	0	46	-1.0	-53.27	372.82	4.21	-49.06
CC(CN1C=C(C(=O)N(C)C2=N[N-]N=N2)C=N1)NC(=O)OC(C)(C)C	REAL300019828741	1	46	-1.0	-53.17	372.96	4.19	-48.98
CN(C(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019828742	0	50	0.0	-79.53	385.94	8.58	-70.95
CN(C(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019828742	1	50	0.0	-81.84	387.74	8.62	-73.22
CN(C(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019828742	1	50	0.0	-79.41	386.08	8.57	-70.84
CN(C(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019828742	1	50	0.0	-81.71	387.87	8.61	-73.10
CN(C(=O)C1=CC=C(F)C2=C1CCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300019828743	0	47	-1.0	-48.14	372.29	8.15	-39.99
CN(C(=O)C1=CC=C(F)C2=C1CCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300019828743	1	47	-1.0	-48.23	372.15	8.14	-40.09
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300019828744	0	49	-1.0	-48.80	385.55	6.41	-42.39
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300019828744	1	49	-1.0	-48.85	385.41	6.40	-42.45
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(C)=C1CN(C)C(=O)OC(C)(C)C	REAL300019828745	0	52	-1.0	-53.85	388.98	8.46	-45.39
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(C)=C1CN(C)C(=O)OC(C)(C)C	REAL300019828745	1	52	-1.0	-53.92	388.84	8.47	-45.45
COC1=CC=C(N2CCCCC2)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019828746	0	42	-1.0	-52.36	330.94	6.22	-46.14
COC1=CC=C(N2CCCCC2)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019828746	1	42	-1.0	-52.31	331.08	6.21	-46.10
COC1CC(C(=O)N(C)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019828747	0	47	-1.0	-47.17	360.15	5.01	-42.16
COC1CC(C(=O)N(C)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019828747	1	47	-1.0	-47.25	360.02	5.04	-42.21
CN(C(=O)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)C1=NN=N[N-]1	REAL300019828748	0	35	-1.0	-57.22	305.79	5.69	-51.53
CN(C(=O)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)C1=N[N-]N=N1	REAL300019828748	1	35	-1.0	-57.17	305.93	5.71	-51.46
CN(C(=O)C#CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300019828749	0	25	-1.0	-43.66	259.13	7.28	-36.38
CN(C(=O)C#CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300019828749	1	25	-1.0	-43.76	258.98	7.29	-36.47
CN(C(=O)CC1COC(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828750	0	47	-1.0	-50.84	371.88	3.66	-47.18
CN(C(=O)CC1COC(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828750	1	47	-1.0	-50.97	371.74	3.68	-47.29
CN(C(=O)C(CNC(=O)OC(C)(C)C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019828751	0	49	-1.0	-53.15	392.89	7.04	-46.11
CN(C(=O)C(CNC(=O)OC(C)(C)C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019828751	1	49	-1.0	-53.22	392.75	7.06	-46.16
CN(C(=O)C1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828752	0	51	-1.0	-47.93	384.48	6.23	-41.70
CN(C(=O)C1COC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828752	1	51	-1.0	-48.04	384.34	6.25	-41.79
CN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CCC1(F)F)C1=N[N-]N=N1	REAL300019828753	0	49	-1.0	-53.89	372.68	7.64	-46.25
CN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CCC1(F)F)C1=NN=N[N-]1	REAL300019828753	1	49	-1.0	-53.98	372.55	7.66	-46.32
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)N(C)C2=N[N-]N=N2)O1	REAL300019828754	0	44	-1.0	-46.83	338.23	5.67	-41.16
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)N(C)C2=NN=N[N-]2)O1	REAL300019828754	1	44	-1.0	-46.91	338.09	5.70	-41.21
CC(C(=O)N(C)C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300019828755	0	39	-1.0	-34.65	332.95	10.55	-24.10
CC(C(=O)N(C)C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300019828755	1	39	-1.0	-34.69	332.81	10.57	-24.12
COC(=O)C1=CC=C2NN=C(C(=O)N(C)C3=NN=N[N-]3)C2=C1	REAL300019828756	0	32	-1.0	-56.95	285.89	4.91	-52.04
COC(=O)C1=CC=C2NN=C(C(=O)N(C)C3=N[N-]N=N3)C2=C1	REAL300019828756	1	32	-1.0	-56.86	286.03	4.89	-51.97
CN(C(=O)C1CC(F)(F)CN1C(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300019828757	0	41	-1.0	-53.72	357.85	7.67	-46.05
CN(C(=O)C1CC(F)(F)CN1C(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019828757	1	41	-1.0	-53.75	357.72	7.70	-46.05
CN(C(=O)C1=CC(=O)NC2=C1CN(C(=O)OC(C)(C)C)CC2)C1=N[N-]N=N1	REAL300019828758	0	47	-1.0	-59.57	378.63	5.01	-54.56
CN(C(=O)C1=CC(=O)NC2=C1CN(C(=O)OC(C)(C)C)CC2)C1=NN=N[N-]1	REAL300019828758	1	47	-1.0	-59.60	378.45	5.01	-54.59
CN(C(=O)C1CC(C2CN(C(=O)OC(C)(C)C)C2)=NO1)C1=N[N-]N=N1	REAL300019828759	0	45	-1.0	-57.90	366.32	5.92	-51.98
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CCCCCCCCC(C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019835204	0	53	-1.0	-47.16	420.20	8.60	-38.56
CCCCCCCCC(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835204	1	53	-1.0	-47.18	420.26	8.62	-38.56
CC(C)(C)OC(=O)NC1(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019835205	0	50	-1.0	-46.12	409.20	4.11	-42.01
CC(C)(C)OC(=O)NC1(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019835205	1	50	-1.0	-46.15	409.25	4.13	-42.02
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O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC=C1CN1C=CN=N1	REAL300019835206	1	42	-1.0	-64.32	356.90	5.45	-58.87
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O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC=C1CN1C=CN=N1	REAL300019835207	1	42	-1.0	-64.32	356.90	5.45	-58.87
CN1CCC(C)(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1=O	REAL300019835208	0	40	-1.0	-55.23	333.09	3.18	-52.05
CN1CCC(C)(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1=O	REAL300019835208	1	40	-1.0	-55.24	333.04	3.17	-52.07
CN1CC(O)CC1(C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019835209	0	42	-1.0	-48.99	335.09	-0.31	-49.30
CN1CC(O)CC1(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835209	1	42	-1.0	-48.97	335.15	-0.29	-49.26
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CC(C)(C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NC=CS1	REAL300019835213	1	38	-1.0	-50.53	333.87	3.92	-46.61
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CCOC(C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CC1	REAL300019835221	1	40	-1.0	-49.55	335.86	5.22	-44.33
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O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CC2CSCC(C1)C2=O	REAL300019835479	1	43	-1.0	-50.58	349.61	5.15	-45.43
CCOC(=O)C1CCCN(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019835480	0	50	-1.0	-48.10	405.56	4.58	-43.52
CCOC(=O)C1CCCN(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835480	1	50	-1.0	-48.14	405.61	4.60	-43.54
CCOC(=O)C1CCC[N@H+](CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835480	1	51	0.0	-53.67	407.54	6.77	-46.90
CCOC(=O)C1CCC[N@@H+](CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835480	1	51	0.0	-55.97	401.40	6.91	-49.06
CCC(C)C(C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)N1C=CC=C1C=O	REAL300019835481	0	48	-1.0	-48.18	387.01	6.59	-41.59
CCC(C)C(C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)N1C=CC=C1C=O	REAL300019835481	1	48	-1.0	-48.20	386.95	6.57	-41.63
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019835482	0	53	0.0	-68.74	400.88	5.63	-63.11
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019835482	1	53	0.0	-68.75	400.94	5.64	-63.11
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CCC(N2CCOCC2)CC1	REAL300019835482	1	52	-1.0	-51.25	391.61	3.25	-48.00
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCC(N2CCOCC2)CC1	REAL300019835482	1	52	-1.0	-51.25	391.67	3.26	-47.99
CC1=NNC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1C(F)(F)F	REAL300019835483	0	36	-1.0	-45.93	322.84	2.98	-42.95
CC1=NNC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1C(F)(F)F	REAL300019835483	1	36	-1.0	-45.90	322.79	2.97	-42.93
O=CC1=CC=C(C=CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1	REAL300019835484	0	39	-1.0	-52.11	346.72	5.87	-46.24
O=CC1=CC=C(C=CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=C1	REAL300019835484	1	39	-1.0	-52.15	346.66	5.85	-46.30
O=CC1=CC(F)=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1F	REAL300019835485	0	35	-1.0	-52.26	321.28	4.83	-47.43
O=CC1=CC(F)=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=C1F	REAL300019835485	1	35	-1.0	-52.26	321.22	4.81	-47.45
CN1CCOC2=CC=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)C=C21	REAL300019835486	0	43	-1.0	-50.29	354.90	3.56	-46.73
CN1CCOC2=CC=C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)C=C21	REAL300019835486	1	43	-1.0	-50.33	354.84	3.55	-46.78
CC1CCN2C=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)N=C2C1	REAL300019835487	0	43	-1.0	-53.32	357.13	5.71	-47.61
CC1CCN2C=C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)N=C2C1	REAL300019835487	1	43	-1.0	-53.28	357.07	5.70	-47.58
CC(C)(C[NH+]1CCOCC1)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835488	0	49	0.0	-57.16	370.04	4.46	-52.70
CC(C)(C[NH+]1CCOCC1)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019835488	1	49	0.0	-57.06	369.98	4.45	-52.61
CC(C)(CN1CCOCC1)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835488	1	48	-1.0	-47.32	373.45	2.87	-44.45
CN1CC[N@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835489	0	47	0.0	-55.21	361.48	3.54	-51.67
CN1CC[N@@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835489	1	47	0.0	-57.33	358.06	2.95	-54.38
CN1CC[N@H+](C)CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019835489	1	47	0.0	-55.22	361.43	3.52	-51.70
CN1CC[N@@H+](C)CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019835489	1	47	0.0	-57.30	358.01	2.93	-54.37
CC1(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CCCO1	REAL300019838202	0	40	-1.0	-48.90	320.89	4.38	-44.52
CC1(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CCCO1	REAL300019838202	1	40	-1.0	-48.89	320.83	4.36	-44.53
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019838203	0	33	-1.0	-39.73	323.58	1.30	-38.43
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019838203	1	33	-1.0	-39.73	323.52	1.29	-38.44
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NC2=CC=CNC2=C1	REAL300019838204	0	36	-1.0	-70.33	318.99	3.11	-67.22
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NC2=CC=CNC2=C1	REAL300019838204	1	36	-1.0	-70.34	318.94	3.09	-67.25
COC1=C(Cl)C=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C2=NC=CC=C21	REAL300019838205	0	42	-1.0	-54.01	376.96	5.82	-48.19
COC1=C(Cl)C=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C2=NC=CC=C21	REAL300019838205	1	42	-1.0	-54.04	376.91	5.81	-48.23
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019838206	0	48	-1.0	-49.03	404.89	5.04	-43.99
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019838206	1	48	-1.0	-49.00	404.83	5.03	-43.97
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1C2C3CC1C(=O)C32	REAL300019838207	0	37	-1.0	-62.48	315.16	4.71	-57.77
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1C2C3CC1C(=O)C32	REAL300019838207	1	37	-1.0	-62.53	315.10	4.69	-57.84
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CN2N=NC=C12	REAL300019838208	0	35	-1.0	-55.58	309.60	3.45	-52.13
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CN2N=NC=C12	REAL300019838208	1	35	-1.0	-55.55	309.54	3.43	-52.12
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2N=N1	REAL300019840202	0	33	-1.0	-48.73	317.08	4.40	-44.33
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2N=N1	REAL300019840202	1	33	-1.0	-48.77	317.03	4.40	-44.37
CC1=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=CC=C2O1	REAL300019840203	0	35	-1.0	-43.42	325.97	3.97	-39.45
CC1=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=CC=C2O1	REAL300019840203	1	35	-1.0	-43.42	326.01	3.98	-39.44
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1CO	REAL300019840204	0	37	-1.0	-38.70	329.71	4.20	-34.50
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1CO	REAL300019840204	1	37	-1.0	-38.68	329.75	4.20	-34.48
CN1C=NC2=CC=CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=C21	REAL300019840205	0	36	-1.0	-39.09	321.37	7.36	-31.73
CN1C=NC2=CC=CC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)=C21	REAL300019840205	1	36	-1.0	-39.08	321.33	7.35	-31.73
COC(=O)C1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NO1	REAL300019840206	0	32	-1.0	-37.88	318.54	4.17	-33.71
COC(=O)C1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NO1	REAL300019840206	1	32	-1.0	-37.93	318.50	4.17	-33.76
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CN1C	REAL300019840207	0	34	-1.0	-41.88	307.86	6.16	-35.72
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CN1C	REAL300019840207	1	34	-1.0	-41.89	307.90	6.17	-35.72
CC(C)N1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840208	0	36	-1.0	-44.63	329.84	6.61	-38.02
CC(C)N1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840208	1	36	-1.0	-44.67	329.80	6.60	-38.07
C=CC(C)(O)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840209	0	34	-1.0	-36.06	304.28	3.52	-32.54
C=CC(C)(O)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840209	1	34	-1.0	-36.05	304.33	3.52	-32.53
COC1=CC=CN=C1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840210	0	36	-1.0	-41.71	330.77	4.29	-37.42
COC1=CC=CN=C1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840210	1	36	-1.0	-41.64	330.82	4.30	-37.34
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)SCCO1	REAL300019840211	0	33	-1.0	-39.99	307.32	4.96	-35.03
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)SCCO1	REAL300019840211	1	33	-1.0	-39.99	307.37	4.97	-35.02
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(=O)C1=CC=C(O)C=C1	REAL300019840212	0	33	-1.0	-39.63	314.11	3.08	-36.55
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(=O)C1=CC=C(O)C=C1	REAL300019840212	1	33	-1.0	-39.55	314.16	3.09	-36.46
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(=O)C1=CC=C([O-])C=C1	REAL300019840212	1	32	-2.0	-83.02	309.52	3.86	-79.16
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(=O)C1=CC=C([O-])C=C1	REAL300019840212	1	32	-2.0	-82.97	309.56	3.86	-79.11
CC1COCCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840213	0	37	-1.0	-34.39	315.56	4.48	-29.91
CC1COCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840213	1	37	-1.0	-34.37	315.61	4.49	-29.88
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NS1	REAL300019840214	0	29	-1.0	-40.77	291.21	4.37	-36.40
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NS1	REAL300019840214	1	29	-1.0	-40.75	290.24	4.37	-36.38
CCC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840215	0	35	-1.0	-37.52	319.76	5.72	-31.80
CCC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840215	1	35	-1.0	-37.57	319.72	5.71	-31.86
CC(=O)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840216	0	32	-1.0	-35.58	311.11	4.75	-30.83
CC(=O)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840216	1	32	-1.0	-35.60	311.15	4.75	-30.85
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC(=O)C2=CC=CC=C21	REAL300019840217	0	36	-1.0	-36.73	331.26	6.86	-29.87
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC(=O)C2=CC=CC=C21	REAL300019840217	1	36	-1.0	-36.70	331.30	6.87	-29.83
CC1=CC(=O)N(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1	REAL300019840218	0	36	-1.0	-41.70	333.02	6.05	-35.65
CC1=CC(=O)N(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1	REAL300019840218	1	36	-1.0	-48.20	332.07	6.02	-42.18
O=C(CC1=NC=CC=C1F)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840219	0	32	-1.0	-39.95	307.73	4.93	-35.02
O=C(CC1=NC=CC=C1F)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840219	1	32	-1.0	-39.93	307.77	4.94	-34.99
CC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840220	0	31	-1.0	-43.55	297.28	4.19	-39.36
CC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840220	1	31	-1.0	-43.48	297.33	4.19	-39.29
O=C(CCC1=CNC(=O)C=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840221	0	36	-1.0	-41.44	332.42	4.44	-37.00
O=C(CCC1=CNC(=O)C=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840221	1	36	-1.0	-41.45	332.47	4.44	-37.01
CC(C)(O)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840222	0	33	-1.0	-34.56	291.84	3.10	-31.46
CC(C)(O)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840222	1	33	-1.0	-34.55	291.89	3.11	-31.44
CC1CCC(OCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840223	0	43	-1.0	-36.24	361.65	7.34	-28.90
CC1CCC(OCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840223	1	43	-1.0	-36.22	361.68	7.34	-28.88
O=C(CCOCC(F)F)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840224	0	33	-1.0	-38.82	315.96	4.15	-34.67
O=C(CCOCC(F)F)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840224	1	33	-1.0	-38.81	316.01	4.15	-34.66
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)CC1CCCCC1	REAL300019840225	0	42	-1.0	-33.02	354.48	7.75	-25.27
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)CC1CCCCC1	REAL300019840225	1	42	-1.0	-32.99	354.53	7.75	-25.24
O=C(CC1=CC2=CNN=C2C=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840226	0	36	-1.0	-42.52	333.67	5.48	-37.04
O=C(CC1=CC2=CNN=C2C=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840226	1	36	-1.0	-42.53	333.71	5.49	-37.04
CC1C(=O)CCC1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840227	0	38	-1.0	-36.09	334.24	6.11	-29.98
CC1C(=O)CCC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840227	1	38	-1.0	-36.05	334.29	6.11	-29.94
COC1CCCC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840228	0	43	-1.0	-35.04	359.70	6.04	-29.00
COC1CCCC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840228	1	43	-1.0	-35.00	359.74	6.05	-28.95
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2=CC=C(F)C=C21	REAL300019840229	0	34	-1.0	-36.63	318.88	7.38	-29.25
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2=CC=C(F)C=C21	REAL300019840229	1	34	-1.0	-36.61	318.92	7.39	-29.22
O=C(CCC(F)F)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840230	0	29	-1.0	-36.70	281.58	4.82	-31.88
O=C(CCC(F)F)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840230	1	29	-1.0	-36.66	281.63	4.82	-31.84
CC=C(CC)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840231	0	33	-1.0	-36.76	296.76	5.79	-30.97
CC=C(CC)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840231	1	33	-1.0	-36.75	296.81	5.80	-30.95
CN1C=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840232	0	30	-1.0	-33.82	276.32	5.52	-28.30
CN1C=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840232	1	30	-1.0	-33.91	276.39	5.50	-28.41
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C2C=CCCC2=C1	REAL300019840233	0	38	-1.0	-37.89	336.89	8.46	-29.43
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C2C=CCCC2=C1	REAL300019840233	1	38	-1.0	-37.91	336.94	8.46	-29.45
COC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC1	REAL300019840234	0	34	-1.0	-34.98	309.97	5.47	-29.51
COC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC1	REAL300019840234	1	34	-1.0	-35.56	308.95	5.45	-30.11
O=C(C[C@@H]1CCCC[C@H]1O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840235	0	40	-1.0	-36.18	336.14	3.74	-32.44
O=C(C[C@@H]1CCCC[C@H]1O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840235	1	40	-1.0	-36.15	336.19	3.75	-32.40
O=C(C[C@H]1CCCC[C@@H]1O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840236	0	40	-1.0	-37.39	336.13	3.74	-33.65
O=C(C[C@H]1CCCC[C@@H]1O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840236	1	40	-1.0	-37.36	336.18	3.75	-33.61
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)=CC1CCCCC1	REAL300019840237	0	40	-1.0	-36.52	347.66	7.71	-28.81
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)=CC1CCCCC1	REAL300019840237	1	40	-1.0	-36.49	347.70	7.72	-28.77
CC(C)(C)N1C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840238	0	38	-1.0	-44.55	344.07	4.36	-40.19
CC(C)(C)N1C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840238	1	38	-1.0	-44.53	344.03	4.36	-40.17
CC(C)N1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840239	0	42	-1.0	-36.10	351.48	3.75	-32.35
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840239	1	43	0.0	-39.48	346.52	5.86	-33.62
CC(C)[N@H+]1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840239	1	43	0.0	-47.74	347.59	5.86	-41.88
CC(C)N1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840239	1	42	-1.0	-36.09	351.53	3.75	-32.34
CN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1C#N	REAL300019840240	0	31	-1.0	-36.41	306.21	3.96	-32.45
CN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1C#N	REAL300019840240	1	31	-1.0	-36.43	306.16	3.96	-32.47
CN1C=CC(C=CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840241	0	35	-1.0	-41.83	326.02	7.02	-34.81
CN1C=CC(C=CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840241	1	35	-1.0	-41.82	326.06	7.02	-34.80
COC1=CC(C)=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840242	0	36	-1.0	-45.39	328.99	5.48	-39.91
COC1=CC(C)=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840242	1	36	-1.0	-45.42	328.94	5.47	-39.95
CCC(C)C(OC)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840243	0	39	-1.0	-34.68	336.88	5.81	-28.87
CCC(C)C(OC)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840243	1	39	-1.0	-34.68	336.92	5.81	-28.87
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(CO)C(F)=C1	REAL300019840244	0	34	-1.0	-36.31	318.29	3.62	-32.69
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(CO)C(F)=C1	REAL300019840244	1	34	-1.0	-36.30	318.32	3.62	-32.68
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=C(Cl)S1	REAL300019840245	0	26	-1.0	-36.52	286.95	3.81	-32.71
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=C(Cl)S1	REAL300019840245	1	26	-1.0	-36.52	287.95	3.84	-32.68
CC(C)(C)OC(=O)CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840246	0	41	-1.0	-36.98	357.79	6.61	-30.37
CC(C)(C)OC(=O)CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840246	1	41	-1.0	-36.98	357.84	6.62	-30.36
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=C(F)C=C1F	REAL300019840247	0	29	-1.0	-37.82	291.00	4.54	-33.28
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=C(F)C=C1F	REAL300019840247	1	29	-1.0	-37.87	290.96	4.53	-33.34
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(O)=CC=C1Cl	REAL300019840248	0	31	-1.0	-39.04	306.32	3.76	-35.28
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(O)=CC=C1Cl	REAL300019840248	1	31	-1.0	-39.00	306.36	3.76	-35.24
COC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840249	0	32	-1.0	-36.41	307.10	1.06	-35.35
COC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840249	1	32	-1.0	-36.41	307.05	1.06	-35.35
O=C(C[C@H]1CCOC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840250	0	34	-1.0	-35.77	301.60	3.83	-31.94
O=C(C[C@H]1CCOC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840250	1	34	-1.0	-35.78	301.64	3.83	-31.95
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C2CCCCN12	REAL300019840251	0	37	-1.0	-36.68	321.18	6.31	-30.37
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2CCCCN12	REAL300019840251	1	37	-1.0	-36.70	321.23	6.32	-30.38
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C(Cl)OC=C1	REAL300019840252	0	27	-1.0	-35.98	280.14	4.64	-31.34
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C(Cl)OC=C1	REAL300019840252	1	27	-1.0	-35.92	281.14	4.67	-31.25
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300019840253	0	33	-1.0	-36.90	315.72	7.25	-29.65
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300019840253	1	33	-1.0	-36.87	315.76	7.26	-29.61
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1	REAL300019840254	0	35	-1.0	-40.24	323.16	6.46	-33.78
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1	REAL300019840254	1	35	-1.0	-40.26	323.11	6.45	-33.81
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC([O-])=CS1	REAL300019840255	0	27	-2.0	-89.11	282.45	2.95	-86.16
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC([O-])=CS1	REAL300019840255	1	27	-2.0	-89.07	282.49	2.95	-86.12
CN1C=CC=C1C(=O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840256	0	33	-1.0	-41.74	307.54	5.39	-36.35
CN1C=CC=C1C(=O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840256	1	33	-1.0	-41.50	306.57	5.38	-36.12
CC(C)[C@H](O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840257	0	33	-1.0	-35.33	292.67	3.39	-31.94
CC(C)[C@H](O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840257	1	33	-1.0	-35.30	292.72	3.39	-31.91
CCC(C)CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840258	0	38	-1.0	-34.48	326.21	6.50	-27.98
CCC(C)CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840258	1	38	-1.0	-34.46	326.26	6.50	-27.96
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2CCCC2=CO1	REAL300019840259	0	34	-1.0	-40.23	311.41	6.01	-34.22
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2CCCC2=CO1	REAL300019840259	1	34	-1.0	-40.20	311.45	6.01	-34.19
NC(=O)CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CO1	REAL300019840260	0	34	-1.0	-46.64	321.24	1.69	-44.95
NC(=O)CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CO1	REAL300019840260	1	34	-1.0	-44.01	322.26	1.71	-42.30
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(O)C1=CC=CN=C1	REAL300019840261	0	33	-1.0	-35.57	309.67	2.95	-32.62
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(O)C1=CC=CN=C1	REAL300019840261	1	33	-1.0	-35.57	309.63	2.95	-32.62
CC1=NOC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840262	0	32	-1.0	-36.74	303.32	4.94	-31.80
CC1=NOC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840262	1	32	-1.0	-36.76	303.37	4.94	-31.82
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(O)C1CC1	REAL300019840263	0	31	-1.0	-34.87	285.49	3.33	-31.54
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(O)C1CC1	REAL300019840263	1	31	-1.0	-34.86	285.53	3.33	-31.53
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2CCOCC2=CO1	REAL300019840264	0	35	-1.0	-40.21	317.98	4.13	-36.08
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2CCOCC2=CO1	REAL300019840264	1	35	-1.0	-40.23	318.02	4.13	-36.10
CCC1OCCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840265	0	37	-1.0	-34.58	317.74	4.55	-30.03
CCC1OCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840265	1	37	-1.0	-34.60	317.79	4.56	-30.04
CC1=CN=C(COCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840266	0	36	-1.0	-41.64	338.30	2.57	-39.07
CC1=CN=C(COCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840266	1	36	-1.0	-41.66	338.34	2.57	-39.09
COCC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019840267	0	33	-1.0	-36.25	325.54	3.00	-33.25
COCC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019840267	1	33	-1.0	-36.25	325.58	3.00	-33.25
COC(=O)COCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840268	0	33	-1.0	-42.57	316.50	4.52	-38.05
COC(=O)COCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840268	1	33	-1.0	-42.59	316.55	4.52	-38.07
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=C(C(C)C)O1	REAL300019840269	0	38	-1.0	-41.73	344.10	3.61	-38.12
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=C(C(C)C)O1	REAL300019840269	1	38	-1.0	-41.71	343.10	3.59	-38.12
CC(C)(C)CCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840270	0	44	-1.0	-34.54	367.14	7.81	-26.73
CC(C)(C)CCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840270	1	44	-1.0	-34.50	367.19	7.81	-26.69
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL300019840271	0	37	-1.0	-40.07	329.71	-2.16	-42.23
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL300019840271	1	37	-1.0	-40.06	329.76	-2.14	-42.20
CC(C)[C@@H](O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840272	0	33	-1.0	-34.59	293.14	3.06	-31.53
CC(C)[C@@H](O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840272	1	33	-1.0	-34.51	293.17	3.05	-31.46
CN1C=NC2=CC=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)N=C21	REAL300019840273	0	35	-1.0	-43.32	328.31	6.66	-36.66
CN1C=NC2=CC=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)N=C21	REAL300019840273	1	35	-1.0	-43.35	328.27	6.66	-36.69
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN2C=CC=NC2=C1	REAL300019840274	0	32	-1.0	-46.40	308.95	4.89	-41.51
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN2C=CC=NC2=C1	REAL300019840274	1	32	-1.0	-46.37	308.91	4.88	-41.49
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2=CC=CN=C21	REAL300019840275	0	36	-1.0	-41.72	324.44	6.00	-35.72
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2=CC=CN=C21	REAL300019840275	1	36	-1.0	-41.68	324.48	6.00	-35.68
CC(C)(C)OCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840276	0	42	-1.0	-35.99	358.75	5.74	-30.25
CC(C)(C)OCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840276	1	42	-1.0	-36.05	358.79	5.74	-30.31
CC1(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840277	0	36	-1.0	-34.73	308.56	5.97	-28.76
CC1(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840277	1	36	-1.0	-34.67	308.62	5.98	-28.69
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CS1	REAL300019840278	0	30	-1.0	-36.56	294.99	5.81	-30.75
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CS1	REAL300019840278	1	30	-1.0	-36.52	295.03	5.81	-30.71
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC([N+](=O)[O-])=NN1	REAL300019840279	0	29	-1.0	-32.15	294.11	4.23	-27.92
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C(C(C)C)O1	REAL300019840280	0	39	-1.0	-37.29	347.64	7.09	-30.20
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C(C(C)C)O1	REAL300019840280	1	39	-1.0	-37.30	347.67	7.09	-30.21
CC1=CSC(C(C)C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840281	0	35	-1.0	-37.05	330.68	5.05	-32.00
CC1=CSC(C(C)C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840281	1	35	-1.0	-37.06	330.71	5.05	-32.01
CC1=COC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1C	REAL300019840282	0	33	-1.0	-39.32	305.08	5.43	-33.89
CC1=COC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1C	REAL300019840282	1	33	-1.0	-39.31	305.12	5.43	-33.88
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CN1	REAL300019840283	0	34	-1.0	-41.02	308.59	5.24	-35.78
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CN1	REAL300019840283	1	34	-1.0	-40.96	308.62	5.24	-35.72
CC(C)C1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CN1	REAL300019840284	0	37	-1.0	-40.97	328.73	5.83	-35.14
CC(C)C1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CN1	REAL300019840284	1	37	-1.0	-40.92	329.74	5.85	-35.07
O=C(COC(F)F)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840285	0	27	-1.0	-36.70	271.74	3.41	-33.29
O=C(COC(F)F)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840285	1	27	-1.0	-36.73	271.79	3.41	-33.32
CC1=NC=CC=C1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840286	0	35	-1.0	-37.72	319.22	5.43	-32.29
CC1=NC=CC=C1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840286	1	35	-1.0	-37.74	319.27	5.45	-32.29
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019840287	0	37	-1.0	-36.88	335.31	8.11	-28.77
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019840287	1	37	-1.0	-35.65	334.35	8.10	-27.55
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C(Cl)C=CS1	REAL300019840288	0	27	-1.0	-36.29	287.64	5.60	-30.69
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C(Cl)C=CS1	REAL300019840288	1	27	-1.0	-36.35	287.69	5.60	-30.75
O=C(CC1=COC2=CC=CC=C12)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840289	0	36	-1.0	-39.65	335.33	7.13	-32.52
O=C(CC1=COC2=CC=CC=C12)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840289	1	36	-1.0	-39.67	335.37	7.14	-32.53
CN1N=CC=C1COCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840290	0	37	-1.0	-40.31	341.73	4.72	-35.59
CN1N=CC=C1COCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840290	1	37	-1.0	-40.33	341.77	4.72	-35.61
CN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840291	0	29	-1.0	-38.97	283.41	2.25	-36.72
CN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840291	1	29	-1.0	-38.99	283.38	2.24	-36.75
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN2C=NC=C2C=C1	REAL300019840292	0	33	-1.0	-36.86	308.74	7.49	-29.37
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL300019840292	1	34	0.0	-55.72	312.20	7.99	-47.73
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN2C=NC=C2C=C1	REAL300019840292	1	33	-1.0	-36.70	309.74	7.51	-29.19
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1COC(=O)N1	REAL300019840293	0	29	-1.0	-37.65	279.83	0.37	-37.28
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1COC(=O)N1	REAL300019840293	1	29	-1.0	-37.68	279.87	0.38	-37.30
CC1=COC(C)=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840294	0	33	-1.0	-38.98	311.30	5.49	-33.49
CC1=COC(C)=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840294	1	33	-1.0	-38.98	311.34	5.49	-33.49
COCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)SC=N1	REAL300019840295	0	33	-1.0	-38.14	319.61	2.88	-35.26
COCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)SC=N1	REAL300019840295	1	33	-1.0	-38.11	319.65	2.87	-35.24
CON=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840296	0	27	-1.0	-35.18	269.86	2.37	-32.81
CON=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840296	1	27	-1.0	-35.12	269.91	2.37	-32.75
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NC2=NNN=C21	REAL300019840297	0	31	-1.0	-38.21	297.67	2.73	-35.48
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NC2=NNN=C21	REAL300019840297	1	31	-1.0	-38.28	297.71	2.73	-35.55
CC(C)C1=NN=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019840298	0	34	-1.0	-41.48	330.22	4.20	-37.28
CC(C)C1=NN=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019840298	1	34	-1.0	-41.47	330.26	4.20	-37.27
O=C(CCCC1=NC=CS1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840299	0	35	-1.0	-37.29	334.10	5.45	-31.84
O=C(CCCC1=NC=CS1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840299	1	35	-1.0	-37.26	334.15	5.45	-31.81
CC1=NC=CN1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840300	0	33	-1.0	-37.52	308.95	5.64	-31.88
CC1=NC=CN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840300	1	33	-1.0	-37.51	308.00	5.63	-31.88
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840300	1	34	0.0	-44.98	311.45	6.10	-38.88
COCC1=NN(C)C=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840301	0	37	-1.0	-38.94	338.59	3.47	-35.47
COCC1=NN(C)C=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840301	1	37	-1.0	-38.94	338.64	3.47	-35.47
CN1N=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1Cl	REAL300019840302	0	30	-1.0	-38.83	304.54	4.24	-34.59
CN1N=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1Cl	REAL300019840302	1	30	-1.0	-38.89	304.50	4.24	-34.65
CC1(C=CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCOCC1	REAL300019840303	0	41	-1.0	-35.94	345.01	5.45	-30.49
CC1(C=CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCOCC1	REAL300019840303	1	41	-1.0	-35.83	344.03	5.42	-30.41
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CN=C1F	REAL300019840304	0	32	-1.0	-35.99	303.57	4.87	-31.12
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CN=C1F	REAL300019840304	1	32	-1.0	-36.02	303.53	4.86	-31.16
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=CN1	REAL300019840305	0	27	-1.0	-42.61	265.88	2.82	-39.79
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=CN1	REAL300019840305	1	27	-1.0	-42.57	265.93	2.83	-39.74
N#CC1=CC=C(F)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840306	0	31	-1.0	-40.48	308.17	6.57	-33.91
N#CC1=CC=C(F)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840306	1	31	-1.0	-40.50	308.21	6.57	-33.93
CN1[N-]C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CC1=O	REAL300019840307	0	30	-2.0	-89.49	296.05	2.20	-87.29
CN1[N-]C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CC1=O	REAL300019840307	1	30	-2.0	-89.44	296.10	2.21	-87.23
CC(C)C#CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840308	0	31	-1.0	-37.54	296.76	5.82	-31.72
CC(C)C#CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840308	1	31	-1.0	-37.59	296.80	5.82	-31.77
O=C(CCC1=NNN=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840309	0	32	-1.0	-36.87	301.61	2.62	-34.25
O=C(CCC1=NNN=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840309	1	32	-1.0	-36.88	301.65	2.62	-34.26
CCC1=CC=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=C1	REAL300019840310	0	38	-1.0	-38.12	343.79	6.56	-31.56
CCC1=CC=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=C1	REAL300019840310	1	38	-1.0	-38.15	343.83	6.58	-31.57
CC1=CNN=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840311	0	30	-1.0	-42.79	284.06	3.24	-39.55
CC1=CNN=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840311	1	30	-1.0	-42.75	284.10	3.24	-39.51
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN(CC2CC2)N=N1	REAL300019840312	0	36	-1.0	-44.97	336.83	4.84	-40.13
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN(CC2CC2)N=N1	REAL300019840312	1	36	-1.0	-44.98	336.79	4.83	-40.15
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CC=NC=C2C=C1	REAL300019840313	0	35	-1.0	-37.02	322.81	6.57	-30.45
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CC=NC=C2C=C1	REAL300019840313	1	35	-1.0	-37.00	322.77	6.56	-30.44
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C2=C1CCC2	REAL300019840314	0	40	-1.0	-38.71	344.87	8.55	-30.16
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C2=C1CCC2	REAL300019840314	1	40	-1.0	-38.70	344.91	8.56	-30.14
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CS1	REAL300019840315	0	30	-1.0	-36.77	290.02	5.76	-31.01
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CS1	REAL300019840315	1	30	-1.0	-36.77	290.06	5.77	-31.00
O=C(CC1(O)CCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840316	0	34	-1.0	-34.72	301.10	3.81	-30.91
O=C(CC1(O)CCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840316	1	34	-1.0	-34.76	301.15	3.81	-30.95
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NN1C(C)C	REAL300019840317	0	39	-1.0	-44.42	349.91	5.90	-38.52
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NN1C(C)C	REAL300019840317	1	39	-1.0	-44.39	349.95	5.89	-38.50
CN1N=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840318	0	35	-1.0	-38.32	324.67	3.72	-34.60
CN1N=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840318	1	35	-1.0	-38.33	324.71	3.72	-34.61
CCC(CC(F)(F)F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840319	0	35	-1.0	-33.48	316.60	5.82	-27.66
CCC(CC(F)(F)F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840319	1	35	-1.0	-33.47	316.69	5.82	-27.65
O=C(CC1CCC2CC21)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840320	0	37	-1.0	-34.53	317.84	7.06	-27.47
O=C(CC1CCC2CC21)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840320	1	37	-1.0	-34.47	317.88	7.06	-27.41
CC1=NN=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019840321	0	31	-1.0	-41.47	308.60	3.53	-37.94
CC1=NN=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019840321	1	31	-1.0	-41.47	308.65	3.55	-37.92
CC1=CC=C(F)C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840322	0	36	-1.0	-39.59	334.23	7.47	-32.12
CC1=CC=C(F)C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840322	1	36	-1.0	-36.87	333.28	7.46	-29.41
CC1=CN=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840323	0	38	-1.0	-36.29	344.15	6.42	-29.87
CC1=CN=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840323	1	38	-1.0	-36.30	344.11	6.42	-29.88
O=C(CCC1=CN=CN=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840324	0	34	-1.0	-36.80	317.49	5.57	-31.23
O=C(CCC1=CN=CN=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840324	1	34	-1.0	-36.83	317.45	5.57	-31.26
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)OC(C(C)C)=N1	REAL300019840325	0	38	-1.0	-38.10	344.07	3.51	-34.59
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)OC(C(C)C)=N1	REAL300019840325	1	38	-1.0	-38.09	344.11	3.53	-34.56
CC(C)CC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840326	0	47	-1.0	-34.86	373.22	8.27	-26.59
CC(C)CC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840326	1	47	-1.0	-34.88	373.26	8.27	-26.61
CC[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840327	0	33	-1.0	-35.35	299.71	5.97	-29.38
CC[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840327	1	33	-1.0	-35.35	299.75	5.97	-29.38
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC1(F)F	REAL300019840328	0	27	-1.0	-34.51	269.41	4.75	-29.76
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC1(F)F	REAL300019840328	1	27	-1.0	-34.49	269.45	4.76	-29.73
O=C(CCCC(=O)C1CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840329	0	38	-1.0	-40.43	343.71	6.83	-33.60
O=C(CCCC(=O)C1CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840329	1	38	-1.0	-40.45	343.75	6.83	-33.62
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC12CCSCC2	REAL300019840330	0	38	-1.0	-37.65	338.74	7.28	-30.37
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC12CCSCC2	REAL300019840330	1	38	-1.0	-37.66	338.78	7.29	-30.37
CC1=NC2=CC=NN2C=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840331	0	35	-1.0	-37.26	319.86	5.65	-31.61
CC1=NC2=CC=NN2C=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840331	1	35	-1.0	-37.27	319.93	5.66	-31.61
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C2NC=CC2=C1	REAL300019840332	0	33	-1.0	-41.19	308.16	5.35	-35.84
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2NC=CC2=C1	REAL300019840332	1	33	-1.0	-41.22	308.20	5.36	-35.86
O=C(CSC(F)F)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840333	0	27	-1.0	-35.70	283.64	4.62	-31.08
O=C(CSC(F)F)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840333	1	27	-1.0	-35.68	283.68	4.62	-31.06
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)=C1CCC1	REAL300019840334	0	34	-1.0	-37.24	304.13	6.54	-30.70
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)=C1CCC1	REAL300019840334	1	34	-1.0	-37.23	304.17	6.55	-30.68
CC(=O)C1=CN(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840335	0	34	-1.0	-39.07	327.42	3.31	-35.76
CC(=O)C1=CN(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840335	1	34	-1.0	-39.06	327.46	3.31	-35.75
O=C(C#CC1=CC=CS1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840336	0	29	-1.0	-38.11	304.27	6.51	-31.60
O=C(C#CC1=CC=CS1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840336	1	29	-1.0	-37.90	304.31	6.51	-31.39
CC(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840337	0	39	-1.0	-34.85	340.43	7.30	-27.55
CC(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840337	1	39	-1.0	-34.85	340.48	7.30	-27.55
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2)N1	REAL300019840338	0	38	-1.0	-36.23	332.43	6.28	-29.95
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2)N1	REAL300019840338	1	38	-1.0	-36.21	332.47	6.28	-29.93
O=C(CCC1CCC(=O)N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840339	0	37	-1.0	-39.89	331.12	3.25	-36.64
O=C(CCC1CCC(=O)N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840339	1	37	-1.0	-39.94	331.17	3.26	-36.68
O=C(CC1=CC=C(O)C(F)=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840340	0	34	-1.0	-38.77	324.66	3.99	-34.78
O=C(CC1=CC=C(O)C(F)=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840340	1	34	-1.0	-38.79	324.70	4.00	-34.79
CC1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1C	REAL300019840341	0	42	-1.0	-34.59	339.37	7.17	-27.42
CC1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1C	REAL300019840341	1	42	-1.0	-34.59	339.42	7.18	-27.41
C=C[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840342	0	35	-1.0	-34.35	315.43	4.41	-29.94
C=C[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840342	1	35	-1.0	-34.31	315.47	4.41	-29.90
COC1COCCC1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840343	0	41	-1.0	-36.10	349.94	3.72	-32.38
COC1COCCC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840343	1	41	-1.0	-36.05	349.99	3.74	-32.31
CC(C)CCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840344	0	38	-1.0	-34.58	329.48	6.63	-27.95
CC(C)CCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840344	1	38	-1.0	-34.57	329.53	6.63	-27.94
CCCC1CCCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840345	0	42	-1.0	-35.32	352.81	7.77	-27.55
CCCC1CCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840345	1	42	-1.0	-35.29	352.85	7.77	-27.52
CN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1Cl	REAL300019840346	0	30	-1.0	-36.73	301.60	4.21	-32.52
CN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1Cl	REAL300019840346	1	30	-1.0	-36.77	301.56	4.21	-32.56
CCOC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840347	0	33	-1.0	-35.95	316.35	2.47	-33.48
CCOC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840347	1	33	-1.0	-36.02	316.31	2.46	-33.56
CC(C)(CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[N+](=O)[O-]	REAL300019840348	0	37	-1.0	-37.07	330.46	5.81	-31.26
CC(C)(CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[N+](=O)[O-]	REAL300019840348	1	37	-1.0	-37.03	330.50	5.81	-31.22
CC1=CN=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840349	0	32	-1.0	-35.35	294.06	5.00	-30.35
CC1=CN=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840349	1	32	-1.0	-35.90	295.23	5.02	-30.88
CC(C)(C)C(=O)CCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840350	0	43	-1.0	-40.09	370.99	7.09	-33.00
CC(C)(C)C(=O)CCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840350	1	43	-1.0	-40.11	371.04	7.09	-33.02
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2CCCCC2=NO1	REAL300019840351	0	36	-1.0	-39.28	322.87	5.87	-33.41
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2CCCCC2=NO1	REAL300019840351	1	36	-1.0	-39.24	322.91	5.87	-33.37
O=C(CC1CC(=O)NC1=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840352	0	33	-1.0	-44.14	306.18	2.80	-41.34
O=C(CC1CC(=O)NC1=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840352	1	33	-1.0	-44.15	306.23	2.79	-41.36
NC(=O)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019840353	0	32	-1.0	-34.97	307.29	0.62	-34.35
NC(=O)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019840353	1	32	-1.0	-34.96	307.34	0.62	-34.34
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2C=CNC2=CC=N1	REAL300019840354	0	33	-1.0	-46.67	309.18	4.42	-42.25
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2C=CNC2=CC=N1	REAL300019840354	1	33	-1.0	-46.67	309.23	4.42	-42.25
N#CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CS1	REAL300019840355	0	28	-1.0	-34.42	293.74	5.53	-28.89
N#CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CS1	REAL300019840355	1	28	-1.0	-34.42	293.78	5.54	-28.88
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCCC2	REAL300019840356	0	40	-1.0	-37.86	339.72	8.57	-29.29
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1CCCC2	REAL300019840356	1	40	-1.0	-37.80	339.77	8.57	-29.23
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NSC=C1	REAL300019840357	0	26	-1.0	-40.66	269.31	3.56	-37.10
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NSC=C1	REAL300019840357	1	26	-1.0	-40.63	269.26	3.56	-37.07
CCC1CCCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840358	0	39	-1.0	-35.36	331.31	6.99	-28.37
CCC1CCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840358	1	39	-1.0	-35.33	331.36	6.99	-28.34
C#CCOC(C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840359	0	32	-1.0	-37.87	307.91	5.25	-32.62
C#CCOC(C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840359	1	32	-1.0	-37.84	307.96	5.26	-32.58
CCC(C)=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840360	0	33	-1.0	-36.07	298.54	5.85	-30.22
CCC(C)=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840360	1	33	-1.0	-36.09	298.59	5.85	-30.24
O=C(C=CC1CCOC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840361	0	35	-1.0	-36.45	316.04	4.45	-32.00
O=C(C=CC1CCOC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840361	1	35	-1.0	-36.47	316.08	4.46	-32.01
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN2CCCC2=C1	REAL300019840362	0	34	-1.0	-45.78	312.24	4.71	-41.07
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN2CCCC2=C1	REAL300019840362	1	34	-1.0	-45.77	312.28	4.71	-41.06
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C(C#N)N1	REAL300019840363	0	32	-1.0	-39.16	308.95	4.80	-34.36
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C(C#N)N1	REAL300019840363	1	32	-1.0	-39.15	308.99	4.80	-34.35
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2CCCN2N=C1	REAL300019840364	0	34	-1.0	-42.04	311.55	4.62	-37.42
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2CCCN2N=C1	REAL300019840364	1	34	-1.0	-42.03	311.60	4.63	-37.40
O=C(C=CC1=CNN=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840365	0	31	-1.0	-41.31	297.09	3.81	-37.50
O=C(C=CC1=CNN=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840365	1	31	-1.0	-41.30	297.05	3.81	-37.49
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(=O)NN=C1	REAL300019840366	0	29	-1.0	-33.78	281.72	1.60	-32.18
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(=O)NN=C1	REAL300019840366	1	29	-1.0	-33.71	281.77	1.61	-32.10
CC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840367	0	31	-1.0	-36.61	292.76	4.34	-32.27
CC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840367	1	31	-1.0	-36.63	292.81	4.34	-32.29
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CNC(=O)O1	REAL300019840368	0	29	-1.0	-39.96	279.84	0.75	-39.21
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CNC(=O)O1	REAL300019840368	1	29	-1.0	-39.95	279.87	0.76	-39.19
C[Si](C)(C)CCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840369	0	41	-1.0	-36.21	362.38	9.18	-27.03
C[Si](C)(C)CCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840369	1	41	-1.0	-36.17	362.43	9.19	-26.98
CN1C=C(C=C(C#N)C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019840370	0	35	-1.0	-43.24	333.91	5.23	-38.01
CN1C=C(C=C(C#N)C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019840370	1	35	-1.0	-43.53	332.95	5.21	-38.32
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2=NC=CN2C1	REAL300019840371	0	37	-1.0	-36.47	327.24	6.21	-30.26
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2=NC=CN2C1	REAL300019840371	1	37	-1.0	-35.44	326.26	6.19	-29.25
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840372	0	37	-1.0	-40.36	337.48	7.29	-33.07
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840372	1	37	-1.0	-40.37	337.52	7.30	-33.07
CC1=NN=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019840373	0	28	-1.0	-42.19	287.92	2.85	-39.34
CC1=NN=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019840373	1	28	-1.0	-42.17	287.96	2.85	-39.32
O=C(CSC1CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840374	0	31	-1.0	-35.40	302.50	5.93	-29.47
O=C(CSC1CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840374	1	31	-1.0	-35.15	301.55	5.92	-29.23
CC1=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=NN1C	REAL300019840375	0	36	-1.0	-39.90	328.73	5.01	-34.89
CC1=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=NN1C	REAL300019840375	1	36	-1.0	-38.19	327.78	4.99	-33.20
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2OCCCN2N=C1	REAL300019840376	0	35	-1.0	-42.71	318.52	3.24	-39.47
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2OCCCN2N=C1	REAL300019840376	1	35	-1.0	-42.75	318.47	3.24	-39.51
CC1=CC(C#N)=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840377	0	33	-1.0	-38.95	316.69	5.46	-33.49
CC1=CC(C#N)=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840377	1	33	-1.0	-38.97	315.68	5.44	-33.53
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1C[C@@H]1C1CC1	REAL300019840378	0	34	-1.0	-35.03	311.59	6.80	-28.23
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1C[C@@H]1C1CC1	REAL300019840378	1	34	-1.0	-35.04	311.64	6.81	-28.23
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1	REAL300019840379	0	33	-1.0	-39.08	308.53	4.75	-34.33
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1	REAL300019840379	1	33	-1.0	-39.02	308.56	4.76	-34.26
COC1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840380	0	40	-1.0	-35.39	340.84	5.33	-30.06
COC1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840380	1	40	-1.0	-35.37	340.88	5.33	-30.04
CNC(=O)NCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840381	0	35	-1.0	-42.10	323.08	0.77	-41.33
CNC(=O)NCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840381	1	35	-1.0	-42.12	323.13	0.76	-41.36
CCN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840382	0	32	-1.0	-39.13	305.21	3.07	-36.06
CCN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840382	1	32	-1.0	-39.19	305.17	3.07	-36.12
CCOC1=NNC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840383	0	34	-1.0	-33.90	320.01	1.31	-32.59
CCOC1=NNC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840383	1	34	-1.0	-33.83	320.06	1.31	-32.52
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2=CN=CN2C1	REAL300019840384	0	37	-1.0	-36.57	327.08	6.93	-29.64
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2=CN=CN2C1	REAL300019840384	1	37	-1.0	-35.69	326.10	6.91	-28.78
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2=CC=CC=C2C1	REAL300019840385	0	37	-1.0	-35.27	329.74	7.82	-27.45
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2=CC=CC=C2C1	REAL300019840385	1	37	-1.0	-35.30	329.78	7.83	-27.47
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=CN2C=CN=C12	REAL300019840386	0	32	-1.0	-48.32	306.64	5.09	-43.23
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=CN2C=CN=C12	REAL300019840386	1	32	-1.0	-48.31	306.60	5.09	-43.22
CC(C)(C)N1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840387	0	38	-1.0	-45.05	342.17	6.35	-38.70
CC(C)(C)N1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840387	1	38	-1.0	-45.12	342.13	6.34	-38.78
CCCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NO1	REAL300019840388	0	35	-1.0	-40.35	326.42	5.75	-34.60
CCCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NO1	REAL300019840388	1	35	-1.0	-40.34	326.46	5.75	-34.59
NC1=NC(Cl)=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840389	0	31	-1.0	-32.88	303.52	3.84	-29.04
NC1=NC(Cl)=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840389	1	31	-1.0	-32.84	303.48	3.84	-29.00
CCC1=CC=C(C#CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1	REAL300019840390	0	38	-1.0	-37.79	356.43	8.87	-28.92
CCC1=CC=C(C#CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1	REAL300019840390	1	38	-1.0	-37.79	356.47	8.87	-28.92
CCC1CC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840391	0	33	-1.0	-35.14	300.69	5.99	-29.15
CCC1CC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840391	1	33	-1.0	-35.12	300.74	6.00	-29.12
O=C(CC1=NC=CN1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840392	0	30	-1.0	-39.92	284.98	3.48	-36.44
O=C(CC1=NC=CN1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840392	1	30	-1.0	-39.86	285.02	3.48	-36.38
C=CC(O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840393	0	28	-1.0	-33.95	268.78	2.27	-31.68
C=CC(O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840393	1	28	-1.0	-33.99	268.82	2.28	-31.71
O=C(CCC1=NOC=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840394	0	32	-1.0	-38.19	302.78	4.84	-33.35
O=C(CCC1=NOC=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840394	1	32	-1.0	-38.14	302.83	4.84	-33.30
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(C)(F)F	REAL300019840395	0	32	-1.0	-37.72	294.33	5.21	-32.51
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(C)(F)F	REAL300019840395	1	32	-1.0	-37.68	294.37	5.21	-32.47
CCN1N=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840396	0	32	-1.0	-30.35	289.28	3.76	-26.59
CCN1N=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840396	1	32	-1.0	-30.35	289.23	3.76	-26.59
N#CCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840397	0	30	-1.0	-39.69	289.77	5.07	-34.62
N#CCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840397	1	30	-1.0	-39.70	289.82	5.07	-34.63
CC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C(C)N1	REAL300019840398	0	33	-1.0	-45.36	305.69	4.04	-41.32
CC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C(C)N1	REAL300019840398	1	33	-1.0	-45.34	305.73	4.04	-41.30
CC1=NC(C)=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019840398	1	33	-1.0	-35.71	303.71	4.08	-31.63
CCN1N=C(C)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840399	0	35	-1.0	-39.67	323.76	3.66	-36.01
CCN1N=C(C)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840399	1	35	-1.0	-39.68	323.80	3.66	-36.02
CC(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840400	0	26	-1.0	-36.20	259.19	3.97	-32.23
CC(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840400	1	26	-1.0	-36.19	259.24	3.97	-32.22
O=C(CC1=CN=CC(O)=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840401	0	33	-1.0	-37.12	313.29	2.13	-34.99
O=C(CC1=CN=CC(O)=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840401	1	33	-1.0	-37.13	313.34	2.13	-35.00
CN1C=NN(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1=O	REAL300019840402	0	36	-1.0	-46.47	336.04	5.72	-40.75
CN1C=NN(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1=O	REAL300019840402	1	36	-1.0	-46.46	336.09	5.72	-40.74
CC1=NC=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840403	0	37	-1.0	-37.50	338.81	5.54	-31.96
CC1=NC=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840403	1	37	-1.0	-37.51	338.85	5.54	-31.97
O=C(CCN1C=NC=CC1=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840404	0	35	-1.0	-40.92	326.65	5.55	-35.37
O=C(CCN1C=NC=CC1=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840404	1	35	-1.0	-40.87	326.61	5.54	-35.33
CC(=O)C1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CS1	REAL300019840405	0	32	-1.0	-39.04	315.07	5.55	-33.49
CC(=O)C1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CS1	REAL300019840405	1	32	-1.0	-38.96	316.07	5.57	-33.39
COC1=CN=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=C1	REAL300019840406	0	32	-1.0	-41.17	305.39	2.86	-38.31
COC1=CN=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=C1	REAL300019840406	1	32	-1.0	-41.22	305.34	2.86	-38.36
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2CCC1CC2	REAL300019840407	0	40	-1.0	-34.66	325.46	7.18	-27.48
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2CCC1CC2	REAL300019840407	1	40	-1.0	-34.68	325.49	7.19	-27.49
COCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840408	0	34	-1.0	-40.82	320.75	2.54	-38.28
COCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840408	1	34	-1.0	-40.86	320.71	2.54	-38.32
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CN1C(C)C	REAL300019840409	0	40	-1.0	-41.11	347.94	7.57	-33.54
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CN1C(C)C	REAL300019840409	1	40	-1.0	-41.09	347.98	7.57	-33.52
N#CC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840410	0	31	-1.0	-42.16	295.38	5.41	-36.75
N#CC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840410	1	31	-1.0	-42.15	295.43	5.42	-36.73
CC1=CSC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840411	0	30	-1.0	-36.61	296.55	5.77	-30.84
CC1=CSC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840411	1	30	-1.0	-36.58	296.59	5.77	-30.81
O=C(CC1=CNC2=CN=CC=C12)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840412	0	36	-1.0	-41.77	334.05	5.07	-36.70
O=C(CC1=CNC2=CN=CC=C12)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840412	1	36	-1.0	-41.79	334.09	5.08	-36.71
CCCC(OC)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840413	0	36	-1.0	-34.54	321.77	5.37	-29.17
CCCC(OC)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840413	1	36	-1.0	-34.51	321.82	5.37	-29.14
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=CC=C1Cl	REAL300019840414	0	29	-1.0	-41.47	292.60	4.90	-36.57
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=CC=C1Cl	REAL300019840414	1	29	-1.0	-41.54	292.55	4.88	-36.66
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN2CCCNC2=N1	REAL300019840415	0	35	-1.0	-46.26	320.74	5.06	-41.20
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN2CCCNC2=N1	REAL300019840415	1	35	-1.0	-46.24	320.69	5.06	-41.18
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C(C2CC2)OC=N1	REAL300019840416	0	33	-1.0	-42.20	310.61	3.05	-39.15
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C(C2CC2)OC=N1	REAL300019840416	1	33	-1.0	-42.22	310.57	3.05	-39.17
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C(F)C=CS1	REAL300019840417	0	27	-1.0	-38.00	279.02	5.14	-32.86
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C(F)C=CS1	REAL300019840417	1	27	-1.0	-37.98	279.06	5.14	-32.84
COCC(C)C(C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840418	0	39	-1.0	-35.26	334.12	4.74	-30.52
COCC(C)C(C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840418	1	39	-1.0	-35.24	334.16	4.74	-30.50
CCC[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840419	0	36	-1.0	-34.89	321.19	6.75	-28.14
CCC[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840419	1	36	-1.0	-34.90	321.24	6.75	-28.15
CN1C=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840420	0	36	-1.0	-39.62	330.63	5.25	-34.37
CN1C=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840420	1	36	-1.0	-39.57	330.68	5.25	-34.32
COC1CCCCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840421	0	40	-1.0	-36.85	338.86	6.25	-30.60
COC1CCCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840421	1	40	-1.0	-36.83	338.92	6.25	-30.58
CC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C(C)O1	REAL300019840422	0	32	-1.0	-41.74	301.80	2.25	-39.49
CC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C(C)O1	REAL300019840422	1	32	-1.0	-41.74	300.80	2.23	-39.51
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1Cl	REAL300019840423	0	30	-1.0	-37.03	301.71	6.68	-30.35
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1Cl	REAL300019840423	1	30	-1.0	-37.01	301.76	6.68	-30.33
CCC(O)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840424	0	33	-1.0	-36.71	299.59	2.87	-33.84
CCC(O)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840424	1	33	-1.0	-36.70	299.64	2.87	-33.83
CC(C)N1C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840425	0	35	-1.0	-44.26	324.28	3.79	-40.47
CC(C)N1C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840425	1	35	-1.0	-44.26	324.23	3.78	-40.48
O=C(CCCC1CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840426	0	36	-1.0	-34.55	321.01	6.88	-27.67
O=C(CCCC1CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840426	1	36	-1.0	-34.55	321.06	6.88	-27.67
O=C(CCC1=NC=CC=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840427	0	34	-1.0	-39.25	317.77	4.75	-34.50
O=C(CCC1=NC=CC=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840427	1	34	-1.0	-39.29	317.81	4.75	-34.54
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CN=CC=C2O1	REAL300019840428	0	32	-1.0	-39.16	308.85	4.75	-34.41
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CN=CC=C2O1	REAL300019840428	1	32	-1.0	-39.22	308.81	4.75	-34.47
O=C(CCC1=CN=CS1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840429	0	32	-1.0	-36.23	312.61	4.78	-31.45
O=C(CCC1=CN=CS1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840429	1	32	-1.0	-36.28	312.57	4.78	-31.50
CC1=NC(C2CC2)=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840430	0	39	-1.0	-35.40	342.65	6.98	-28.42
CC1=NC(C2CC2)=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840430	1	39	-1.0	-35.35	342.70	6.98	-28.37
CC(C)(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC1	REAL300019840431	0	39	-1.0	-33.94	324.28	6.92	-27.02
CC(C)(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC1	REAL300019840431	1	39	-1.0	-33.80	323.33	6.90	-26.90
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2=C1NN=N2	REAL300019840432	0	36	-1.0	-36.18	316.98	3.77	-32.41
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2=C1NN=N2	REAL300019840432	1	36	-1.0	-36.18	317.02	3.77	-32.41
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2=NNN=C21	REAL300019840432	1	36	-1.0	-39.62	319.37	3.60	-36.02
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2=NNN=C21	REAL300019840432	1	36	-1.0	-39.61	319.41	3.60	-36.01
CCC1=NC(C)=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840433	0	35	-1.0	-37.92	323.25	2.92	-35.00
CCC1=NC(C)=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840433	1	35	-1.0	-37.87	323.29	2.93	-34.94
CN1N=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840434	0	28	-1.0	-41.78	278.31	1.81	-39.97
CN1N=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840434	1	28	-1.0	-41.83	278.26	1.81	-40.02
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NOC(CO)=C1	REAL300019840435	0	30	-1.0	-43.14	294.85	0.85	-42.29
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NOC(CO)=C1	REAL300019840435	1	30	-1.0	-43.13	294.89	0.85	-42.28
O=C(CC1=CC=NC(F)=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840436	0	32	-1.0	-36.14	308.72	4.94	-31.20
O=C(CC1=CC=NC(F)=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840436	1	32	-1.0	-36.15	308.76	4.95	-31.20
CC1=CC=C(O)C=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840437	0	34	-1.0	-39.62	309.62	3.92	-35.70
CC1=CC=C(O)C=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840437	1	34	-1.0	-39.58	309.67	3.92	-35.66
COCC1=NOC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840438	0	33	-1.0	-35.55	312.92	3.16	-32.39
COCC1=NOC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840438	1	33	-1.0	-35.56	312.96	3.16	-32.40
COC(=O)CC(C)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840439	0	38	-1.0	-39.05	337.01	5.82	-33.23
COC(=O)CC(C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840439	1	38	-1.0	-39.05	337.05	5.82	-33.23
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C(C2CC2)N=CO1	REAL300019840440	0	33	-1.0	-38.61	310.33	3.04	-35.57
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C(C2CC2)N=CO1	REAL300019840440	1	33	-1.0	-38.58	310.38	3.05	-35.53
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1(F)CCCCC1	REAL300019840441	0	36	-1.0	-36.98	313.30	6.25	-30.73
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1(F)CCCCC1	REAL300019840441	1	36	-1.0	-37.01	313.35	6.26	-30.75
N#CC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840442	0	30	-1.0	-46.00	301.00	4.67	-41.33
N#CC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840442	1	30	-1.0	-46.03	300.96	4.68	-41.35
CC1=CC=C(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019840443	0	36	-1.0	-34.96	339.92	7.44	-27.52
CC1=CC=C(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019840443	1	36	-1.0	-34.99	339.97	7.44	-27.55
CC(=O)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019840444	0	33	-1.0	-42.31	314.06	4.23	-38.08
CC(=O)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019840444	1	33	-1.0	-42.32	314.10	4.23	-38.09
O=C(CC1CCCC(=O)N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840445	0	37	-1.0	-41.95	324.19	3.39	-38.56
O=C(CC1CCCC(=O)N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840445	1	37	-1.0	-41.91	324.23	3.40	-38.51
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCSC1	REAL300019840446	0	34	-1.0	-35.32	308.16	6.06	-29.26
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCSC1	REAL300019840446	1	34	-1.0	-35.38	307.17	6.04	-29.34
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN2CCOC2=C1	REAL300019840447	0	32	-1.0	-43.00	303.21	1.82	-41.18
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN2CCOC2=C1	REAL300019840447	1	32	-1.0	-43.07	303.17	1.81	-41.26
CC1CC1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840448	0	33	-1.0	-34.65	298.70	5.98	-28.67
CC1CC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840448	1	33	-1.0	-34.64	298.75	5.98	-28.66
C#CC1=CC=CC=C1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840449	0	35	-1.0	-38.73	332.57	7.84	-30.89
C#CC1=CC=CC=C1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840449	1	35	-1.0	-38.70	332.62	7.85	-30.85
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=NON=C2C=C1	REAL300019840450	0	31	-1.0	-32.21	297.04	4.92	-27.29
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=NON=C2C=C1	REAL300019840450	1	31	-1.0	-32.24	297.01	4.91	-27.33
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CC(=O)NC(=O)N1	REAL300019840451	0	32	-1.0	-39.08	303.06	-0.48	-39.56
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CC(=O)NC(=O)N1	REAL300019840451	1	32	-1.0	-39.06	303.11	-0.48	-39.54
O=C(C=CCN1CCOCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840452	0	40	-1.0	-36.82	349.55	2.92	-33.90
O=C(C=CCN1CCOCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840452	1	40	-1.0	-36.80	349.59	2.91	-33.89
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2=NN=CN2C1	REAL300019840453	0	36	-1.0	-38.48	321.41	6.87	-31.61
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2=NN=CN2C1	REAL300019840453	1	36	-1.0	-38.46	321.45	6.88	-31.58
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCCCC(=O)C1	REAL300019840454	0	41	-1.0	-43.76	333.23	6.30	-37.46
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCCCC(=O)C1	REAL300019840454	1	41	-1.0	-43.74	333.27	6.30	-37.44
CC(C)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=C1	REAL300019840455	0	38	-1.0	-40.91	340.43	6.25	-34.66
CC(C)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=C1	REAL300019840455	1	38	-1.0	-40.95	340.39	6.24	-34.71
C=CC(=O)N(CC)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840456	0	37	-1.0	-45.03	338.42	5.35	-39.68
C=CC(=O)N(CC)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840456	1	37	-1.0	-45.02	338.47	5.35	-39.67
O=C(CC1=CN=CC=C1Cl)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840457	0	32	-1.0	-37.24	316.79	5.42	-31.82
O=C(CC1=CN=CC=C1Cl)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840457	1	32	-1.0	-37.25	316.75	5.41	-31.84
CCOC(=O)C(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840458	0	41	-1.0	-36.53	356.14	6.61	-29.92
CCOC(=O)C(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840458	1	41	-1.0	-36.46	356.20	6.61	-29.85
CN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840459	0	29	-1.0	-45.43	283.91	2.42	-43.01
CN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840459	1	29	-1.0	-45.43	283.86	2.40	-43.03
CC1=NSC(C)=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840460	0	32	-1.0	-34.55	312.84	4.89	-29.66
CC1=NSC(C)=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840460	1	32	-1.0	-35.91	311.86	4.87	-31.04
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN(CCF)N=C1	REAL300019840461	0	33	-1.0	-38.52	316.01	4.85	-33.67
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN(CCF)N=C1	REAL300019840461	1	33	-1.0	-38.55	315.97	4.85	-33.70
CCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CC=C1O	REAL300019840462	0	37	-1.0	-37.37	333.51	4.78	-32.59
CCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CC=C1O	REAL300019840462	1	37	-1.0	-37.33	333.56	4.78	-32.55
COC(=O)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019840463	0	34	-1.0	-35.25	326.90	4.44	-30.81
COC(=O)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019840463	1	34	-1.0	-35.22	326.94	4.45	-30.77
CN1C=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=CN=C21	REAL300019840464	0	35	-1.0	-44.51	325.95	6.72	-37.79
CN1C=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=CN=C21	REAL300019840464	1	35	-1.0	-44.56	325.90	6.72	-37.84
CCCC1=NC(C)=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840465	0	38	-1.0	-37.82	344.73	3.70	-34.12
CCCC1=NC(C)=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840465	1	38	-1.0	-37.83	344.77	3.70	-34.13
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840466	0	45	0.0	-51.41	358.08	7.11	-44.30
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840466	1	45	0.0	-51.41	358.04	7.10	-44.31
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1(F)CCOC1	REAL300019840467	0	31	-1.0	-35.19	287.55	3.09	-32.10
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1(F)CCOC1	REAL300019840467	1	31	-1.0	-35.18	287.59	3.10	-32.08
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1(CCF)CC1	REAL300019840468	0	33	-1.0	-35.90	307.00	5.95	-29.95
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1(CCF)CC1	REAL300019840468	1	33	-1.0	-35.92	307.07	5.96	-29.96
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CN1C	REAL300019840469	0	37	-1.0	-42.06	329.28	6.89	-35.17
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CN1C	REAL300019840469	1	37	-1.0	-42.05	329.32	6.89	-35.16
O=C(CN1C=CN=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840470	0	30	-1.0	-37.57	288.26	5.84	-31.73
O=C(CN1C=CN=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840470	1	30	-1.0	-37.56	288.30	5.85	-31.71
O=C(CN1C=C(Cl)C=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840471	0	30	-1.0	-36.88	303.73	4.69	-32.19
O=C(CN1C=C(Cl)C=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840471	1	30	-1.0	-38.93	304.68	4.72	-34.21
CC1=NN=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840472	0	31	-1.0	-41.47	299.51	-0.31	-41.78
CC1=NN=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840472	1	31	-1.0	-41.47	299.56	-0.30	-41.77
CC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCCC1	REAL300019840473	0	39	-1.0	-34.19	325.10	6.88	-27.31
CC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCCC1	REAL300019840473	1	39	-1.0	-34.16	325.15	6.89	-27.27
O=C(COCC1=CC=NC=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840474	0	36	-1.0	-38.59	336.78	5.31	-33.28
O=C(COCC1=CC=NC=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840474	1	36	-1.0	-38.61	336.83	5.31	-33.30
N#CCCCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840475	0	36	-1.0	-40.15	332.77	6.64	-33.51
N#CCCCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840475	1	36	-1.0	-40.12	332.81	6.64	-33.48
C[C@H](CC1=CC=CC=C1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840476	0	39	-1.0	-35.69	344.05	8.04	-27.65
C[C@H](CC1=CC=CC=C1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840476	1	39	-1.0	-35.67	344.09	8.04	-27.63
O=C(CC1(C(F)(F)F)CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840477	0	33	-1.0	-34.36	310.54	6.01	-28.35
O=C(CC1(C(F)(F)F)CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840477	1	33	-1.0	-34.57	312.05	6.10	-28.47
CCOC1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840478	0	37	-1.0	-37.13	328.44	4.98	-32.15
CCOC1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840478	1	37	-1.0	-37.12	328.48	4.98	-32.14
O=C(COCC1=CC=CN=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840479	0	36	-1.0	-38.75	335.77	5.26	-33.49
O=C(COCC1=CC=CN=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840479	1	36	-1.0	-38.76	335.73	5.25	-33.51
CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019840480	0	37	-1.0	-39.08	339.82	5.94	-33.14
CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019840480	1	37	-1.0	-39.02	339.77	5.93	-33.09
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL300019840481	0	36	-1.0	-37.03	330.24	6.34	-30.69
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL300019840481	1	36	-1.0	-37.01	330.20	6.32	-30.69
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC2=NC=CC=C2C=C1	REAL300019840482	0	34	-1.0	-52.13	321.19	5.60	-46.53
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC2=NC=CC=C2C=C1	REAL300019840482	1	34	-1.0	-52.18	321.15	5.59	-46.59
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)NC(=O)N1	REAL300019840483	0	31	-1.0	-39.94	291.49	1.40	-38.54
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)NC(=O)N1	REAL300019840483	1	31	-1.0	-39.92	291.53	1.40	-38.52
CC1=NN=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019840484	0	32	-1.0	-42.62	301.61	4.01	-38.61
CC1=NN=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019840484	1	32	-1.0	-42.60	301.65	4.01	-38.59
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCNC1=O	REAL300019840485	0	31	-1.0	-42.53	287.99	1.37	-41.16
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCNC1=O	REAL300019840485	1	31	-1.0	-42.54	288.03	1.37	-41.17
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NNC(C(F)F)=C1	REAL300019840486	0	30	-1.0	-41.51	300.67	3.36	-38.15
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NNC(C(F)F)=C1	REAL300019840486	1	30	-1.0	-41.51	300.72	3.35	-38.16
C[N@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019840487	0	39	0.0	-44.28	329.25	6.51	-37.77
C[N@@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019840487	1	39	0.0	-45.10	329.15	6.49	-38.61
CN(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC1	REAL300019840487	1	38	-1.0	-34.55	327.47	4.28	-30.27
CN(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019840487	1	38	-1.0	-34.47	327.52	4.29	-30.18
O=C(C=CC1=NC=CN1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840488	0	31	-1.0	-42.13	298.71	4.20	-37.93
O=C(C=CC1=NC=CN1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840488	1	31	-1.0	-42.07	298.75	4.21	-37.86
CC(CC1=CNC=N1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840489	0	36	-1.0	-41.22	322.56	6.18	-35.04
CC(CC1=CNC=N1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840489	1	36	-1.0	-41.17	322.60	6.18	-34.99
O=C(CC1CCC(=O)NC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840490	0	37	-1.0	-38.28	324.26	3.05	-35.23
O=C(CC1CCC(=O)NC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840490	1	37	-1.0	-38.26	324.30	3.06	-35.20
O=C(COCC1CCCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840491	0	40	-1.0	-36.08	346.35	6.73	-29.35
O=C(COCC1CCCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840491	1	40	-1.0	-36.03	346.39	6.73	-29.30
O=C(CC1CC2CCC1O2)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840492	0	38	-1.0	-37.05	325.50	4.98	-32.07
O=C(CC1CC2CCC1O2)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840492	1	38	-1.0	-37.01	325.54	4.98	-32.03
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCN2C=CN=C2C1	REAL300019840493	0	37	-1.0	-39.60	327.39	6.23	-33.37
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCN2C=CN=C2C1	REAL300019840493	1	37	-1.0	-39.60	327.43	6.23	-33.37
CC1(C)CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840494	0	40	-1.0	-36.83	334.65	7.27	-29.56
CC1(C)CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840494	1	40	-1.0	-36.41	333.66	7.24	-29.17
CC1CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840495	0	37	-1.0	-36.55	319.53	6.92	-29.63
CC1CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840495	1	37	-1.0	-36.41	318.55	6.90	-29.51
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019840496	0	41	-1.0	-37.51	353.92	7.27	-30.24
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019840496	1	41	-1.0	-37.47	353.97	7.27	-30.20
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL300019840497	0	35	-1.0	-36.34	305.41	4.24	-32.10
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL300019840497	1	35	-1.0	-36.38	305.45	4.24	-32.14
CC(CC1=CN(C)N=C1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840498	0	39	-1.0	-37.77	347.38	5.78	-31.99
CC(CC1=CN(C)N=C1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840498	1	39	-1.0	-37.72	347.34	5.77	-31.95
CC(C)CCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840499	0	41	-1.0	-34.51	350.98	7.41	-27.10
CC(C)CCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840499	1	41	-1.0	-34.50	351.03	7.41	-27.09
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL300019840500	0	36	-1.0	-40.56	312.16	7.05	-33.51
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL300019840500	1	36	-1.0	-40.53	312.20	7.05	-33.48
CN1C(=O)CCC1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840501	0	37	-1.0	-39.26	323.00	4.56	-34.70
CN1C(=O)CCC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840501	1	37	-1.0	-39.21	323.03	4.56	-34.65
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCOC(=O)N1	REAL300019840502	0	32	-1.0	-38.59	298.06	1.51	-37.08
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCOC(=O)N1	REAL300019840502	1	32	-1.0	-38.55	298.10	1.51	-37.04
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC(=O)N1	REAL300019840503	0	37	-1.0	-42.35	323.69	3.06	-39.29
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC(=O)N1	REAL300019840503	1	37	-1.0	-42.34	323.74	3.06	-39.28
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CSC(CO)=N1	REAL300019840504	0	30	-1.0	-44.92	303.39	0.45	-44.47
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CSC(CO)=N1	REAL300019840504	1	30	-1.0	-44.89	303.44	0.46	-44.43
O=C(CCC1=CNN=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840505	0	33	-1.0	-38.59	308.69	4.05	-34.54
O=C(CCC1=CNN=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840505	1	33	-1.0	-38.55	308.65	4.05	-34.50
CCC1=NN=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019840506	0	31	-1.0	-41.63	309.40	3.61	-38.02
CCC1=NN=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019840506	1	31	-1.0	-41.64	309.44	3.61	-38.03
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC1	REAL300019840507	0	36	-1.0	-34.74	312.51	6.41	-28.33
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019840507	1	36	-1.0	-34.77	312.55	6.41	-28.36
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NC=C1C#N	REAL300019840508	0	33	-1.0	-38.37	320.25	5.28	-33.09
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NC=C1C#N	REAL300019840508	1	33	-1.0	-38.30	320.29	5.28	-33.02
CCC(CC(F)F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840509	0	35	-1.0	-36.35	312.49	5.87	-30.48
CCC(CC(F)F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840509	1	35	-1.0	-36.33	312.53	5.88	-30.45
CCC(C)(C)OCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840510	0	39	-1.0	-36.24	333.11	5.80	-30.44
CCC(C)(C)OCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840510	1	39	-1.0	-36.21	333.15	5.80	-30.41
CC(C)(C)C1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840511	0	42	-1.0	-34.90	347.32	7.28	-27.62
CC(C)(C)C1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840511	1	42	-1.0	-34.86	347.36	7.28	-27.58
NS(=O)(=O)CCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840512	0	34	-1.0	-45.36	325.79	-0.44	-45.80
NS(=O)(=O)CCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840512	1	34	-1.0	-45.38	325.84	-0.44	-45.82
O=C(C#CC1CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840513	0	29	-1.0	-38.13	286.46	5.99	-32.14
O=C(C#CC1CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840513	1	29	-1.0	-38.09	286.50	6.00	-32.09
CC(C)(C)C#CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840514	0	34	-1.0	-37.76	316.93	6.36	-31.40
CC(C)(C)C#CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840514	1	34	-1.0	-37.74	316.98	6.36	-31.38
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2C=CC=NN12	REAL300019840515	0	32	-1.0	-43.44	304.72	5.00	-38.44
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C2C=CC=NN12	REAL300019840515	1	32	-1.0	-43.44	304.67	4.99	-38.45
CC1=NON=C1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840516	0	31	-1.0	-36.19	299.63	3.30	-32.89
CC1=NON=C1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840516	1	31	-1.0	-36.20	299.68	3.31	-32.89
CC1=CN(C)N=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840517	0	33	-1.0	-44.15	306.90	4.56	-39.59
CC1=CN(C)N=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840517	1	33	-1.0	-44.15	306.85	4.57	-39.58
CC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL300019840518	0	39	-1.0	-38.28	347.81	5.88	-32.40
CC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL300019840518	1	39	-1.0	-38.26	347.77	5.87	-32.39
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300019840519	0	37	-1.0	-35.66	335.33	8.12	-27.54
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300019840519	1	37	-1.0	-35.66	335.37	8.12	-27.54
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=CC(Cl)=C1	REAL300019840520	0	29	-1.0	-34.30	293.59	4.81	-29.49
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=CC(Cl)=C1	REAL300019840520	1	29	-1.0	-34.31	293.54	4.80	-29.51
O=C(CS(=O)(=O)C1CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840521	0	33	-1.0	-44.78	319.55	2.51	-42.27
O=C(CS(=O)(=O)C1CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840521	1	33	-1.0	-44.81	319.59	2.53	-42.28
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(O)C1CCC1	REAL300019840522	0	34	-1.0	-34.98	303.27	3.65	-31.33
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(O)C1CCC1	REAL300019840522	1	34	-1.0	-34.99	303.31	3.65	-31.34
CC(C)CC1=CNC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840523	0	40	-1.0	-35.89	352.08	6.59	-29.30
CC(C)CC1=CNC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840523	1	40	-1.0	-35.94	352.12	6.59	-29.35
CCC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840524	0	41	-1.0	-35.01	338.84	6.89	-28.12
CCC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840524	1	41	-1.0	-34.99	338.88	6.89	-28.10
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CC=CNC2=N1	REAL300019840525	0	33	-1.0	-57.69	311.71	5.35	-52.34
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CC=CNC2=N1	REAL300019840525	1	33	-1.0	-57.70	311.75	5.36	-52.34
CC(=O)C1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019840526	0	31	-1.0	-36.94	315.72	3.86	-33.08
CC(=O)C1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019840526	1	31	-1.0	-36.96	315.76	3.87	-33.09
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN2CCCCC2=C1	REAL300019840527	0	37	-1.0	-43.91	330.21	5.52	-38.39
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN2CCCCC2=C1	REAL300019840527	1	37	-1.0	-43.88	330.25	5.51	-38.37
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N(C)N=C1	REAL300019840528	0	33	-1.0	-34.67	295.83	4.77	-29.90
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N(C)N=C1	REAL300019840528	1	33	-1.0	-34.73	295.78	4.77	-29.96
COCC(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840529	0	39	-1.0	-34.84	332.21	4.88	-29.96
COCC(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840529	1	39	-1.0	-34.85	332.26	4.89	-29.96
CCCCCCOC(C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840530	0	45	-1.0	-35.65	388.12	7.84	-27.81
CCCCCCOC(C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840530	1	45	-1.0	-35.65	388.17	7.85	-27.80
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC(F)CC1	REAL300019840531	0	36	-1.0	-35.68	312.60	6.33	-29.35
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC(F)CC1	REAL300019840531	1	36	-1.0	-35.70	312.65	6.35	-29.35
CCC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840532	0	35	-1.0	-42.52	322.26	5.78	-36.74
CCC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840532	1	35	-1.0	-42.47	322.30	5.79	-36.68
O=C(CC1CC(F)(F)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840533	0	33	-1.0	-35.45	307.46	6.00	-29.45
O=C(CC1CC(F)(F)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840533	1	33	-1.0	-35.47	307.51	6.01	-29.46
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=C1C	REAL300019840534	0	35	-1.0	-42.45	318.66	5.53	-36.92
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=C1C	REAL300019840534	1	35	-1.0	-42.38	318.70	5.53	-36.85
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC2=CC=NC=C2C=C1	REAL300019840535	0	34	-1.0	-43.72	321.18	4.76	-38.96
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC2=CC=NC=C2C=C1	REAL300019840535	1	34	-1.0	-43.67	321.13	4.75	-38.92
C[C@]1(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL300019840536	0	40	-1.0	-35.82	347.41	8.51	-27.31
C[C@]1(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL300019840536	1	40	-1.0	-35.81	347.46	8.51	-27.30
CC1=C(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)SC=N1	REAL300019840537	0	35	-1.0	-36.18	331.33	5.28	-30.90
CC1=C(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)SC=N1	REAL300019840537	1	35	-1.0	-36.20	331.38	5.28	-30.92
CCCN1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1=O	REAL300019840538	0	40	-1.0	-37.03	353.31	5.43	-31.60
CCCN1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1=O	REAL300019840538	1	40	-1.0	-36.97	353.35	5.43	-31.54
CC(OC1=CC=CC=N1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840539	0	36	-1.0	-38.98	331.99	4.89	-34.09
CC(OC1=CC=CC=N1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840539	1	36	-1.0	-39.01	331.94	4.90	-34.11
COC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=NN1C	REAL300019840540	0	34	-1.0	-39.86	320.28	3.08	-36.78
COC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=NN1C	REAL300019840540	1	34	-1.0	-39.84	320.24	3.08	-36.76
COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840541	0	39	-1.0	-38.41	344.60	6.27	-32.14
COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840541	1	39	-1.0	-38.38	344.64	6.27	-32.11
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL300019840542	0	29	-1.0	-33.88	285.86	4.89	-28.99
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL300019840542	1	29	-1.0	-33.84	285.90	4.89	-28.95
CC1=CC(Cl)=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840543	0	32	-1.0	-35.94	310.72	5.42	-30.52
CC1=CC(Cl)=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840543	1	32	-1.0	-35.93	310.77	5.42	-30.51
O=C(CC1=CC=CC(C2CC2)=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840544	0	40	-1.0	-36.74	356.63	8.86	-27.88
O=C(CC1=CC=CC(C2CC2)=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840544	1	40	-1.0	-36.74	356.67	8.88	-27.86
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840545	0	31	-1.0	-44.69	296.69	3.85	-40.84
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840545	1	31	-1.0	-44.69	296.74	3.85	-40.84
CCCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CN1	REAL300019840546	0	37	-1.0	-40.91	330.08	6.02	-34.89
CCCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CN1	REAL300019840546	1	37	-1.0	-40.90	330.12	6.02	-34.88
COC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840547	0	39	-1.0	-34.49	338.97	5.87	-28.62
COC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840547	1	39	-1.0	-34.43	339.02	5.87	-28.56
COCCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840548	0	36	-1.0	-43.85	339.16	2.33	-41.52
COCCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840548	1	36	-1.0	-43.89	339.11	2.32	-41.57
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1SCCCS1	REAL300019840549	0	32	-1.0	-38.51	307.95	6.07	-32.44
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1SCCCS1	REAL300019840549	1	32	-1.0	-38.46	308.00	6.07	-32.39
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2CC2C1	REAL300019840550	0	37	-1.0	-34.19	315.03	6.96	-27.23
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2CC2C1	REAL300019840550	1	37	-1.0	-34.18	315.08	6.96	-27.22
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC12CC2	REAL300019840551	0	31	-1.0	-35.54	290.37	6.02	-29.52
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC12CC2	REAL300019840551	1	31	-1.0	-35.54	290.41	6.04	-29.50
CC1=C(F)C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840552	0	33	-1.0	-34.29	303.76	6.81	-27.48
CC1=C(F)C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840552	1	33	-1.0	-34.31	303.81	6.81	-27.50
CN1C=NC=C1C=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840553	0	34	-1.0	-40.76	316.66	6.42	-34.34
CN1C=NC=C1C=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840553	1	34	-1.0	-40.74	316.71	6.43	-34.31
CC1=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NN1C	REAL300019840554	0	33	-1.0	-43.26	322.49	4.85	-38.41
CC1=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NN1C	REAL300019840554	1	33	-1.0	-43.18	322.52	4.86	-38.32
CN1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCC1=O	REAL300019840555	0	37	-1.0	-36.53	325.04	4.31	-32.22
CN1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCC1=O	REAL300019840555	1	37	-1.0	-36.55	325.08	4.32	-32.23
CCN1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCC1=O	REAL300019840556	0	40	-1.0	-36.41	346.18	5.28	-31.13
CCN1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCC1=O	REAL300019840556	1	40	-1.0	-36.41	346.22	5.28	-31.13
CC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N1C=CC=N1	REAL300019840557	0	36	-1.0	-38.40	323.40	5.18	-33.22
CC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N1C=CC=N1	REAL300019840557	1	36	-1.0	-38.43	323.37	5.18	-33.25
C=CC(=O)N(C)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840558	0	34	-1.0	-45.60	316.61	4.38	-41.22
C=CC(=O)N(C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840558	1	34	-1.0	-45.59	316.66	4.38	-41.21
O=C(CC1=NN=CN1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840559	0	29	-1.0	-42.47	280.63	4.17	-38.30
O=C(CC1=NN=CN1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840559	1	29	-1.0	-42.46	280.68	4.18	-38.28
O=C(CC1CS(=O)(=O)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840560	0	33	-1.0	-41.63	313.20	1.72	-39.91
O=C(CC1CS(=O)(=O)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840560	1	33	-1.0	-41.66	313.24	1.72	-39.94
COC1=NSC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840561	0	30	-1.0	-34.52	303.37	1.94	-32.58
COC1=NSC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840561	1	30	-1.0	-34.55	303.33	1.94	-32.61
CC1=C2OC=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C2=CC=C1	REAL300019840562	0	36	-1.0	-37.97	331.91	7.08	-30.89
CC1=C2OC=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C2=CC=C1	REAL300019840562	1	36	-1.0	-38.12	332.91	7.10	-31.02
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)=C1CCC1	REAL300019840563	0	31	-1.0	-38.61	292.19	5.87	-32.74
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)=C1CCC1	REAL300019840563	1	31	-1.0	-38.60	292.24	5.88	-32.72
CNC1=CN=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019840564	0	33	-1.0	-40.81	308.75	2.13	-38.68
CNC1=CN=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019840564	1	33	-1.0	-40.73	309.72	2.16	-38.57
CC1CCCCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840565	0	39	-1.0	-34.58	324.54	6.89	-27.69
CC1CCCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840565	1	39	-1.0	-34.57	324.58	6.90	-27.67
C=CCCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840566	0	36	-1.0	-44.11	339.79	4.59	-39.52
C=CCCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840566	1	36	-1.0	-44.14	339.75	4.58	-39.56
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC2=CN=CC=C2C=C1	REAL300019840567	0	34	-1.0	-43.40	321.16	4.76	-38.64
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC2=CN=CC=C2C=C1	REAL300019840567	1	34	-1.0	-43.39	321.11	4.77	-38.62
NC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019840568	0	31	-1.0	-40.45	297.87	5.23	-35.22
NC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019840568	1	31	-1.0	-40.40	297.83	5.21	-35.19
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC(F)C1	REAL300019840569	0	36	-1.0	-37.00	313.15	6.36	-30.64
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC(F)C1	REAL300019840569	1	36	-1.0	-36.94	313.20	6.36	-30.58
CN1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)NC1=O	REAL300019840570	0	33	-1.0	-37.38	305.24	1.53	-35.85
CN1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)NC1=O	REAL300019840570	1	33	-1.0	-37.39	305.29	1.54	-35.85
CC1=C(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840571	0	40	-1.0	-34.76	338.04	7.38	-27.38
CC1=C(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840571	1	40	-1.0	-34.76	338.08	7.39	-27.37
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN2CCCC2=N1	REAL300019840572	0	34	-1.0	-47.71	312.33	5.67	-42.04
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN2CCCC2=N1	REAL300019840572	1	34	-1.0	-47.65	312.38	5.68	-41.97
CON1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840573	0	39	-1.0	-34.67	331.95	3.48	-31.19
CON1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840573	1	39	-1.0	-34.62	332.01	3.47	-31.15
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019840574	0	42	0.0	-53.26	339.17	6.18	-47.08
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019840574	1	42	0.0	-53.02	344.29	6.52	-46.50
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019840574	1	42	0.0	-53.25	339.12	6.19	-47.06
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019840574	1	42	0.0	-53.01	344.24	6.52	-46.49
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NC=C1	REAL300019840575	0	35	-1.0	-35.66	317.84	5.53	-30.13
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NC=C1	REAL300019840575	1	35	-1.0	-35.65	317.88	5.53	-30.12
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(CCC2)C1	REAL300019840576	0	37	-1.0	-34.59	322.00	6.90	-27.69
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300019840576	1	37	-1.0	-34.56	322.04	6.90	-27.66
COC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840577	0	33	-1.0	-41.10	309.79	3.70	-37.40
COC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840577	1	33	-1.0	-41.10	309.74	3.70	-37.40
CCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840578	0	33	-1.0	-44.40	309.75	4.72	-39.68
CCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840578	1	33	-1.0	-44.42	309.71	4.73	-39.69
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1(F)CC1	REAL300019840579	0	27	-1.0	-35.91	264.23	4.62	-31.29
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1(F)CC1	REAL300019840579	1	27	-1.0	-35.90	264.28	4.62	-31.28
O=C(C=CC1CCCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840580	0	37	-1.0	-35.37	325.71	7.04	-28.33
O=C(C=CC1CCCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840580	1	37	-1.0	-35.33	325.75	7.06	-28.27
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC(=O)C1	REAL300019840581	0	32	-1.0	-36.61	293.40	4.74	-31.87
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC(=O)C1	REAL300019840581	1	32	-1.0	-36.65	293.45	4.75	-31.90
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN2CCCCC2=C1	REAL300019840582	0	38	-1.0	-39.58	333.37	7.29	-32.29
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN2CCCCC2=C1	REAL300019840582	1	38	-1.0	-39.61	333.41	7.29	-32.32
C[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019840583	0	39	0.0	-48.98	320.64	5.60	-43.38
C[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019840583	1	39	0.0	-49.01	325.17	5.77	-43.24
C[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019840583	1	39	0.0	-49.05	320.60	5.60	-43.45
C[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019840583	1	39	0.0	-49.03	325.13	5.77	-43.26
CCNC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CS1	REAL300019840584	0	34	-1.0	-40.55	328.21	3.97	-36.58
CCNC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CS1	REAL300019840584	1	34	-1.0	-40.50	329.18	3.99	-36.51
COCC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840585	0	37	-1.0	-35.07	329.95	4.84	-30.23
COCC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840585	1	37	-1.0	-35.07	330.00	4.84	-30.23
CC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1(F)Cl	REAL300019840586	0	33	-1.0	-34.33	315.05	6.27	-28.06
CC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1(F)Cl	REAL300019840586	1	33	-1.0	-34.34	315.09	6.27	-28.07
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840587	0	36	-1.0	-40.79	335.20	6.58	-34.21
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840587	1	36	-1.0	-40.82	335.15	6.57	-34.25
CC(C)CN1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840588	0	39	-1.0	-35.31	343.41	6.20	-29.11
CC(C)CN1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840588	1	39	-1.0	-35.23	343.20	6.19	-29.04
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN2CCOCC2=C1	REAL300019840589	0	35	-1.0	-43.79	321.12	3.11	-40.68
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN2CCOCC2=C1	REAL300019840589	1	35	-1.0	-43.79	321.16	3.11	-40.68
CC(C)=CCCC(C)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840590	0	45	-1.0	-34.68	377.58	8.59	-26.09
CC(C)=CCCC(C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840590	1	45	-1.0	-34.63	377.63	8.59	-26.04
CN1C=CC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840591	0	33	-1.0	-40.91	309.44	4.54	-36.37
CN1C=CC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840591	1	33	-1.0	-40.97	309.48	4.55	-36.42
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=CC=NC=C21	REAL300019840592	0	35	-1.0	-38.90	319.42	6.56	-32.34
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=CC=NC=C21	REAL300019840592	1	35	-1.0	-38.88	319.37	6.55	-32.33
C=CCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840593	0	33	-1.0	-44.96	318.26	3.83	-41.13
C=CCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840593	1	33	-1.0	-44.94	318.22	3.82	-41.12
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN(C2CCC2)N=N1	REAL300019840594	0	36	-1.0	-44.13	329.39	4.40	-39.73
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN(C2CCC2)N=N1	REAL300019840594	1	36	-1.0	-44.17	329.35	4.38	-39.79
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840595	0	42	-1.0	-34.88	356.30	7.69	-27.19
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840595	1	42	-1.0	-34.81	356.34	7.70	-27.11
CC1=NOC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840596	0	29	-1.0	-33.52	280.22	4.13	-29.39
CC1=NOC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840596	1	29	-1.0	-33.51	280.27	4.13	-29.38
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CS(=O)(=O)C1	REAL300019840597	0	30	-1.0	-40.41	293.29	0.94	-39.47
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CS(=O)(=O)C1	REAL300019840597	1	30	-1.0	-40.41	293.34	0.96	-39.45
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCNC1=O	REAL300019840598	0	34	-1.0	-44.10	301.96	2.60	-41.50
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCNC1=O	REAL300019840598	1	34	-1.0	-44.05	302.00	2.60	-41.45
CN1C(=O)NC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840599	0	31	-1.0	-35.74	291.65	2.75	-32.99
CN1C(=O)NC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840599	1	31	-1.0	-35.71	291.68	2.75	-32.96
CC=C(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840600	0	27	-1.0	-36.98	264.92	4.45	-32.53
CC=C(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840600	1	27	-1.0	-37.04	264.96	4.46	-32.58
CCC=C(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840601	0	30	-1.0	-36.77	285.22	5.19	-31.58
CCC=C(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840601	1	30	-1.0	-36.71	285.27	5.20	-31.51
O=C(CC1CSC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840602	0	31	-1.0	-35.12	293.76	5.41	-29.71
O=C(CC1CSC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840602	1	31	-1.0	-35.05	293.80	5.41	-29.64
COC1=NN(C)C=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840603	0	34	-1.0	-39.47	318.81	2.09	-37.38
COC1=NN(C)C=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840603	1	34	-1.0	-39.49	318.77	2.09	-37.40
CSC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CO1	REAL300019840604	0	31	-1.0	-35.35	309.64	5.26	-30.09
CSC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CO1	REAL300019840604	1	31	-1.0	-35.34	309.69	5.26	-30.08
CC1=NN(C(C)C)C=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840605	0	39	-1.0	-36.30	346.10	5.82	-30.48
CC1=NN(C(C)C)C=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840605	1	39	-1.0	-36.27	346.14	5.83	-30.44
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)N=C1	REAL300019840606	0	32	-1.0	-35.07	311.35	5.15	-29.92
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)N=C1	REAL300019840606	1	32	-1.0	-35.09	311.40	5.16	-29.93
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840607	0	33	-2.0	-82.15	314.40	2.92	-79.23
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840607	1	33	-2.0	-82.18	314.36	2.92	-79.26
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840607	1	33	-2.0	-82.12	314.46	2.94	-79.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840607	1	33	-2.0	-82.17	314.41	2.94	-79.23
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2)=C1	REAL300019840608	0	37	-1.0	-36.86	331.00	8.17	-28.69
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC(C2CC2)=C1	REAL300019840608	1	37	-1.0	-36.89	331.04	8.18	-28.71
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(=O)N1C	REAL300019840609	0	36	-1.0	-48.33	337.02	5.07	-43.26
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(=O)N1C	REAL300019840609	1	36	-1.0	-48.37	337.07	5.08	-43.29
COC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840610	0	31	-1.0	-37.55	299.28	4.53	-33.02
COC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840610	1	31	-1.0	-37.55	299.32	4.53	-33.02
O=C(CCC1CCCCCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840611	0	45	-1.0	-34.27	360.50	8.13	-26.14
O=C(CCC1CCCCCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840611	1	45	-1.0	-34.22	360.54	8.13	-26.09
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCS1(=O)=O	REAL300019840612	0	33	-1.0	-42.23	307.21	2.81	-39.42
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCS1(=O)=O	REAL300019840612	1	33	-1.0	-42.28	307.25	2.81	-39.47
CC(C)(C)N1CCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840613	0	41	-1.0	-32.63	321.85	3.05	-29.58
CC(C)(C)N1CCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840613	1	41	-1.0	-32.63	321.89	3.05	-29.58
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840613	1	42	0.0	-44.60	327.56	5.14	-39.46
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840613	1	42	0.0	-42.47	344.98	6.26	-36.21
O=C(CC1=CC=CN=C1Cl)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840614	0	32	-1.0	-37.29	316.39	5.34	-31.95
O=C(CC1=CC=CN=C1Cl)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840614	1	32	-1.0	-37.32	316.34	5.32	-32.00
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840615	0	30	-2.0	-81.14	292.90	2.14	-79.00
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840615	1	30	-2.0	-81.17	292.86	2.14	-79.03
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840615	1	30	-2.0	-81.17	292.96	2.16	-79.01
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840615	1	30	-2.0	-81.16	292.92	2.16	-79.00
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=CN1	REAL300019840616	0	30	-1.0	-45.39	283.69	4.20	-41.19
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=CN1	REAL300019840616	1	30	-1.0	-45.41	283.74	4.21	-41.20
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=CN1	REAL300019840617	0	33	-1.0	-45.27	305.05	4.93	-40.34
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=CN1	REAL300019840617	1	33	-1.0	-45.24	305.11	4.94	-40.30
CC1=CN=C2C=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=CN12	REAL300019840618	0	36	-1.0	-37.96	330.18	7.18	-30.78
CC1=CN=C2C=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=CN12	REAL300019840618	1	36	-1.0	-37.98	330.14	7.17	-30.81
COC(OC)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840619	0	31	-1.0	-39.71	285.41	2.71	-37.00
COC(OC)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840619	1	31	-1.0	-39.72	285.47	2.71	-37.01
CN1C(Cl)=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840620	0	30	-1.0	-32.82	294.82	5.18	-27.64
CN1C(Cl)=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840620	1	30	-1.0	-32.84	294.77	5.18	-27.66
CN1C(=O)CSC1=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840621	0	33	-1.0	-37.60	317.13	4.60	-33.00
CN1C(=O)CSC1=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840621	1	33	-1.0	-37.60	317.17	4.60	-33.00
N#CCCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840622	0	33	-1.0	-39.24	311.27	5.86	-33.38
N#CCCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840622	1	33	-1.0	-39.20	311.32	5.86	-33.34
CC1=CC=CC2=NC=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)N21	REAL300019840623	0	36	-1.0	-42.38	320.06	6.99	-35.39
CC1=CC=CC2=NC=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)N21	REAL300019840623	1	36	-1.0	-42.44	319.94	6.97	-35.47
CC(=CC1=CC=NC=C1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840624	0	36	-1.0	-36.70	323.83	6.08	-30.62
CC(=CC1=CC=NC=C1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840624	1	36	-1.0	-36.68	323.89	6.08	-30.60
CC(=CC1=CC=CC=N1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840625	0	36	-1.0	-39.64	325.34	7.13	-32.51
CC(=CC1=CC=CC=N1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840625	1	36	-1.0	-39.58	325.39	7.14	-32.44
CC(=CC1=CC=CN=C1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840626	0	36	-1.0	-36.38	324.35	6.10	-30.28
CC(=CC1=CC=CN=C1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840626	1	36	-1.0	-36.34	324.41	6.10	-30.24
CC(=CC1=CC=CO1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840627	0	34	-1.0	-38.67	311.35	6.26	-32.41
CC(=CC1=CC=CO1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840627	1	34	-1.0	-38.64	311.53	6.26	-32.38
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=COC(CO)=C1	REAL300019840628	0	31	-1.0	-38.58	298.52	1.53	-37.05
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=COC(CO)=C1	REAL300019840628	1	31	-1.0	-38.53	298.56	1.53	-37.00
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CSC1	REAL300019840629	0	28	-1.0	-33.18	273.01	4.70	-28.48
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CSC1	REAL300019840629	1	28	-1.0	-33.13	273.05	4.70	-28.43
C[C@H]1CC[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840630	0	39	-1.0	-34.58	329.22	6.94	-27.64
C[C@H]1CC[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840630	1	39	-1.0	-34.53	329.26	6.94	-27.59
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CN=CC=C2C=C1	REAL300019840631	0	35	-1.0	-37.07	322.79	6.57	-30.50
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CN=CC=C2C=C1	REAL300019840631	1	35	-1.0	-37.08	322.74	6.56	-30.52
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300019840632	0	40	0.0	-54.95	323.65	5.70	-49.25
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300019840632	1	40	0.0	-53.41	324.05	5.70	-47.71
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300019840632	1	40	0.0	-54.92	323.60	5.69	-49.23
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300019840632	1	40	0.0	-53.39	324.01	5.69	-47.70
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2N=CNC2=CN=C1	REAL300019840633	0	32	-1.0	-47.69	302.02	4.08	-43.61
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2N=CNC2=CN=C1	REAL300019840633	1	32	-1.0	-47.66	303.03	4.09	-43.57
CCC(CO)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840634	0	33	-1.0	-39.06	293.29	2.17	-36.89
CCC(CO)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840634	1	33	-1.0	-39.08	293.34	2.19	-36.89
O=C(CNC1=CC=CC=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840635	0	34	-1.0	-36.29	314.09	4.15	-32.14
O=C(CNC1=CC=CC=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840635	1	34	-1.0	-36.26	314.14	4.14	-32.12
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCS(=O)(=O)N1	REAL300019840636	0	32	-1.0	-42.61	306.11	-0.63	-43.24
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCS(=O)(=O)N1	REAL300019840636	1	32	-1.0	-42.64	306.15	-0.63	-43.27
O=C(C=CC1CCCCCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840637	0	43	-1.0	-35.37	355.26	8.08	-27.29
O=C(C=CC1CCCCCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840637	1	43	-1.0	-35.33	355.30	8.08	-27.25
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2=CC=CC=C2C1	REAL300019840638	0	40	-1.0	-35.57	346.16	8.41	-27.16
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2=CC=CC=C2C1	REAL300019840638	1	40	-1.0	-35.58	346.21	8.41	-27.17
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1CCC1	REAL300019840639	0	37	-1.0	-34.92	326.63	7.28	-27.64
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1CCC1	REAL300019840639	1	37	-1.0	-34.91	326.67	7.28	-27.63
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	REAL300019840640	0	38	-1.0	-34.68	320.47	7.09	-27.59
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	REAL300019840640	1	38	-1.0	-34.66	320.49	7.09	-27.57
CC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N1C=CN=C1	REAL300019840641	0	36	-1.0	-36.26	323.98	6.68	-29.58
CC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N1C=CN=C1	REAL300019840641	1	36	-1.0	-36.27	324.02	6.68	-29.59
CCN1C=CC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840642	0	36	-1.0	-40.93	330.98	5.39	-35.54
CCN1C=CC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840642	1	36	-1.0	-40.91	331.02	5.40	-35.51
CSC1=CC=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840643	0	33	-1.0	-43.89	313.88	5.33	-38.56
CSC1=CC=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840643	1	33	-1.0	-43.77	314.87	5.36	-38.41
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@]12C[C@H]1COC2	REAL300019840644	0	32	-1.0	-35.29	292.99	3.78	-31.51
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@]12C[C@H]1COC2	REAL300019840644	1	32	-1.0	-35.29	293.03	3.79	-31.50
CSC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840645	0	33	-1.0	-39.34	323.53	5.54	-33.80
CSC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840645	1	33	-1.0	-39.37	323.49	5.54	-33.83
CCC1=NOC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840646	0	32	-1.0	-33.54	300.71	4.86	-28.68
CCC1=NOC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840646	1	32	-1.0	-33.57	300.75	4.86	-28.71
CCC(C#N)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840647	0	30	-1.0	-40.81	287.13	4.72	-36.09
CCC(C#N)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840647	1	30	-1.0	-40.82	287.18	4.73	-36.09
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC1C1CCCC1	REAL300019840648	0	40	-1.0	-36.30	336.41	7.59	-28.71
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC1C1CCCC1	REAL300019840648	1	40	-1.0	-36.32	336.54	7.61	-28.71
COC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)(F)F	REAL300019840649	0	33	-1.0	-33.96	315.42	4.60	-29.36
COC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)(F)F	REAL300019840649	1	33	-1.0	-33.94	315.46	4.60	-29.34
CSCC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840650	0	37	-1.0	-36.26	341.06	6.96	-29.30
CSCC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840650	1	37	-1.0	-36.21	341.12	6.96	-29.25
NC(=O)C1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019840651	0	33	-1.0	-44.59	320.31	1.61	-42.98
NC(=O)C1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019840651	1	33	-1.0	-44.62	320.27	1.60	-43.02
CC(C)(C)N1N=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840652	0	37	-1.0	-41.86	340.04	3.86	-38.00
CC(C)(C)N1N=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840652	1	37	-1.0	-41.92	340.00	3.86	-38.06
COC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CC=C1C#N	REAL300019840653	0	35	-1.0	-35.53	331.41	5.79	-29.74
COC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CC=C1C#N	REAL300019840653	1	35	-1.0	-35.42	332.42	5.81	-29.61
CC1=CC2=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)N=CN2C=C1	REAL300019840654	0	36	-1.0	-50.44	331.50	8.01	-42.43
CC1=CC2=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)N=CN2C=C1	REAL300019840654	1	36	-1.0	-50.47	331.46	8.01	-42.46
N#CC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCCCC1	REAL300019840655	0	40	-1.0	-42.13	340.13	6.75	-35.38
N#CC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCCCC1	REAL300019840655	1	40	-1.0	-42.14	340.17	6.75	-35.39
CC(=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(C)(C)C	REAL300019840656	0	39	-1.0	-36.05	330.98	6.75	-29.30
CC(=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(C)(C)C	REAL300019840656	1	39	-1.0	-36.01	331.02	6.75	-29.26
COC1=NOC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840657	0	36	-1.0	-36.73	335.75	3.13	-33.60
COC1=NOC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840657	1	36	-1.0	-36.71	335.79	3.13	-33.58
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2C=CNC2=NC=N1	REAL300019840658	0	32	-1.0	-43.92	304.38	5.23	-38.69
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2C=CNC2=NC=N1	REAL300019840658	1	32	-1.0	-43.86	304.43	5.23	-38.63
CN1C=C(C=CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840659	0	33	-1.0	-46.91	317.03	3.82	-43.09
CN1C=C(C=CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840659	1	33	-1.0	-46.90	317.07	3.83	-43.07
CNC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CS1	REAL300019840660	0	31	-1.0	-41.00	306.71	3.14	-37.86
CNC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CS1	REAL300019840660	1	31	-1.0	-40.91	307.71	3.15	-37.76
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840661	0	37	-1.0	-37.82	339.00	6.35	-31.47
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840661	1	37	-1.0	-37.84	338.95	6.34	-31.50
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(CC2(F)F)C1	REAL300019840662	0	34	-1.0	-34.37	319.62	6.61	-27.76
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(CC2(F)F)C1	REAL300019840662	1	34	-1.0	-34.63	318.67	6.58	-28.05
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(CO)C1=CC=CC=C1	REAL300019840663	0	37	-1.0	-39.33	331.34	4.40	-34.93
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(CO)C1=CC=CC=C1	REAL300019840663	1	37	-1.0	-39.36	331.38	4.41	-34.95
CC(C)(O)C(O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840664	0	34	-1.0	-35.63	298.80	0.48	-35.15
CC(C)(O)C(O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840664	1	34	-1.0	-35.62	298.84	0.49	-35.13
CCC(O)C(C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840665	0	36	-1.0	-36.71	315.26	3.58	-33.13
CCC(O)C(C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840665	1	36	-1.0	-36.77	315.30	3.58	-33.19
CCC1=CNC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840666	0	36	-1.0	-40.04	328.35	4.81	-35.23
CCC1=CNC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840666	1	36	-1.0	-39.99	328.39	4.82	-35.17
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2CC2C1	REAL300019840667	0	34	-1.0	-34.79	299.73	6.35	-28.44
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2CC2C1	REAL300019840667	1	34	-1.0	-34.81	299.77	6.35	-28.46
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN2C=CC=NC2=N1	REAL300019840668	0	31	-1.0	-53.62	303.74	6.25	-47.37
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN2C=CC=NC2=N1	REAL300019840668	1	31	-1.0	-53.64	303.70	6.24	-47.40
CC(=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CO1	REAL300019840669	0	34	-1.0	-37.48	315.86	6.14	-31.34
CC(=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CO1	REAL300019840669	1	34	-1.0	-37.47	315.90	6.15	-31.32
CC1=NNC2=CC=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=C12	REAL300019840670	0	36	-1.0	-37.04	331.24	5.39	-31.65
CC1=NNC2=CC=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=C12	REAL300019840670	1	36	-1.0	-37.03	331.29	5.39	-31.64
CC=CC(O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840671	0	31	-1.0	-34.22	290.48	3.13	-31.09
CC=CC(O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840671	1	31	-1.0	-34.17	290.53	3.13	-31.04
CC1=CC=NC=C1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840672	0	35	-1.0	-36.22	319.71	5.53	-30.69
CC1=CC=NC=C1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840672	1	35	-1.0	-36.19	319.75	5.53	-30.66
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NN1C(F)F	REAL300019840673	0	30	-1.0	-34.50	293.04	3.98	-30.52
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NN1C(F)F	REAL300019840673	1	30	-1.0	-34.47	292.97	3.99	-30.48
CC1=NN(C(C)CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1	REAL300019840674	0	39	-1.0	-38.97	345.29	5.77	-33.20
CC1=NN(C(C)CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1	REAL300019840674	1	39	-1.0	-38.98	345.33	5.77	-33.21
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2CC21	REAL300019840675	0	37	-1.0	-34.88	314.49	6.89	-27.99
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2CC21	REAL300019840675	1	37	-1.0	-34.92	314.53	6.90	-28.02
O=C(CCCC1=CC=CN=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840676	0	38	-1.0	-37.50	344.18	6.56	-30.94
O=C(CCCC1=CC=CN=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840676	1	38	-1.0	-37.50	344.14	6.55	-30.95
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(CF)C=C1	REAL300019840677	0	33	-1.0	-37.29	310.77	6.92	-30.37
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(CF)C=C1	REAL300019840677	1	33	-1.0	-37.30	310.81	6.92	-30.38
COC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCOC1	REAL300019840678	0	38	-1.0	-35.23	333.48	3.90	-31.33
COC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCOC1	REAL300019840678	1	38	-1.0	-35.20	333.52	3.90	-31.30
O=C(CCC1CC1(F)F)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840679	0	33	-1.0	-36.01	311.55	6.24	-29.77
O=C(CCC1CC1(F)F)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840679	1	33	-1.0	-36.05	311.60	6.25	-29.80
COCCCOCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840680	0	40	-1.0	-36.36	358.12	3.70	-32.66
COCCCOCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840680	1	40	-1.0	-36.33	358.17	3.71	-32.62
COCC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840681	0	36	-1.0	-38.57	331.94	4.01	-34.56
COCC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840681	1	36	-1.0	-38.58	331.90	3.99	-34.59
CC1=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)OC=C1	REAL300019840682	0	33	-1.0	-36.91	308.71	5.54	-31.37
CC1=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)OC=C1	REAL300019840682	1	33	-1.0	-36.89	308.75	5.56	-31.33
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C2CCCN12	REAL300019840683	0	34	-1.0	-37.42	308.43	5.64	-31.78
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2CCCN12	REAL300019840683	1	34	-1.0	-37.46	308.46	5.65	-31.81
CC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(N)=N1	REAL300019840684	0	33	-1.0	-35.57	303.60	3.18	-32.39
CC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(N)=N1	REAL300019840684	1	33	-1.0	-35.60	303.65	3.19	-32.41
C[NH+](C)CC1(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840685	0	39	0.0	-49.56	327.50	6.21	-43.35
C[NH+](C)CC1(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840685	1	39	0.0	-49.60	327.54	6.21	-43.39
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2CCCCN2C=C1	REAL300019840686	0	38	-1.0	-42.15	331.75	7.32	-34.83
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2CCCCN2C=C1	REAL300019840686	1	38	-1.0	-42.07	330.78	7.31	-34.76
CCNC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019840687	0	34	-1.0	-37.51	327.95	4.08	-33.43
CCNC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019840687	1	34	-1.0	-37.41	328.92	4.10	-33.31
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1	REAL300019840688	0	37	-1.0	-36.89	330.97	8.17	-28.72
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1	REAL300019840688	1	37	-1.0	-36.88	331.02	8.18	-28.70
COC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC1	REAL300019840689	0	40	-1.0	-35.14	339.81	6.73	-28.41
COC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC1	REAL300019840689	1	40	-1.0	-35.10	339.85	6.74	-28.36
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840690	0	40	-1.0	-35.71	352.14	8.62	-27.09
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840690	1	40	-1.0	-35.69	352.18	8.62	-27.07
COC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCCC1	REAL300019840691	0	43	-1.0	-34.81	355.66	7.44	-27.37
COC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCCC1	REAL300019840691	1	43	-1.0	-34.81	355.76	7.45	-27.36
CC(CC1=CC=CO1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840692	0	36	-1.0	-35.91	326.78	6.26	-29.65
CC(CC1=CC=CO1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840692	1	36	-1.0	-35.87	326.82	6.26	-29.61
CC1(C)CCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840693	0	36	-1.0	-34.89	307.77	6.14	-28.75
CC1(C)CCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840693	1	36	-1.0	-34.90	307.82	6.15	-28.75
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(C1)CCCCC2	REAL300019840694	0	43	-1.0	-34.68	353.82	7.99	-26.69
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(C1)CCCCC2	REAL300019840694	1	43	-1.0	-34.69	353.86	7.99	-26.70
COCC1=CSC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840695	0	34	-1.0	-37.18	330.21	4.82	-32.36
COCC1=CSC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840695	1	34	-1.0	-37.19	330.25	4.83	-32.36
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840696	0	37	-1.0	-37.27	316.91	5.93	-31.34
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840696	1	37	-1.0	-37.26	316.96	5.95	-31.31
CC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCO1	REAL300019840697	0	40	-1.0	-36.64	336.40	5.40	-31.24
CC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCO1	REAL300019840697	1	40	-1.0	-36.64	336.44	5.40	-31.24
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NOC2=C1COCC2	REAL300019840698	0	34	-1.0	-41.50	314.56	3.70	-37.80
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NOC2=C1COCC2	REAL300019840698	1	34	-1.0	-41.47	314.61	3.71	-37.76
CC1=CN2C=CC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)=CC2=N1	REAL300019840699	0	36	-1.0	-38.44	330.32	7.23	-31.21
CC1=CN2C=CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=CC2=N1	REAL300019840699	1	36	-1.0	-38.47	330.36	7.25	-31.22
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN(C2CC2)N=N1	REAL300019840700	0	33	-1.0	-44.75	313.72	3.94	-40.81
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN(C2CC2)N=N1	REAL300019840700	1	33	-1.0	-44.78	313.68	3.94	-40.84
CNC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1F	REAL300019840701	0	35	-1.0	-39.43	322.06	4.98	-34.45
CNC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1F	REAL300019840701	1	35	-1.0	-39.42	323.06	4.99	-34.43
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2C(C1)C2(F)F	REAL300019840702	0	37	-1.0	-38.28	325.11	7.03	-31.25
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2C(C1)C2(F)F	REAL300019840702	1	37	-1.0	-38.20	325.15	7.03	-31.17
O=C(COCC(F)F)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840703	0	30	-1.0	-40.79	295.01	4.32	-36.47
O=C(COCC(F)F)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840703	1	30	-1.0	-40.83	295.06	4.32	-36.51
CCCC=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840704	0	33	-1.0	-35.81	303.56	5.94	-29.87
CCCC=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840704	1	33	-1.0	-35.77	303.61	5.95	-29.82
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840705	0	40	-1.0	-35.27	347.76	5.60	-29.67
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840705	1	40	-1.0	-35.23	347.80	5.60	-29.63
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=CC=C1F	REAL300019840706	0	29	-1.0	-43.09	284.61	4.47	-38.62
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=CC=C1F	REAL300019840706	1	29	-1.0	-43.10	284.56	4.47	-38.63
CC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840707	0	29	-1.0	-37.63	283.79	1.55	-36.08
CC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840707	1	29	-1.0	-37.61	283.83	1.56	-36.05
CC1=COC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840708	0	30	-1.0	-36.74	284.04	4.73	-32.01
CC1=COC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840708	1	30	-1.0	-36.77	285.06	4.75	-32.02
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)OC(C(F)F)=C1	REAL300019840709	0	33	-1.0	-36.57	319.97	5.90	-30.67
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)OC(C(F)F)=C1	REAL300019840709	1	33	-1.0	-36.55	320.01	5.90	-30.65
CC(C)C1=NC=CN1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840710	0	39	-1.0	-36.99	349.99	6.66	-30.33
CC(C)C1=NC=CN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840710	1	39	-1.0	-36.96	349.04	6.63	-30.33
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840710	1	40	0.0	-43.44	348.79	7.25	-36.19
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C[NH+](C2CCOC2)C1	REAL300019840711	0	41	0.0	-49.13	349.40	4.86	-44.27
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CN(C2CCOC2)C1	REAL300019840711	1	40	-1.0	-34.91	344.57	1.91	-33.00
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CN(C2CCOC2)C1	REAL300019840711	1	40	-1.0	-34.88	344.61	1.91	-32.97
COCC(OC)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840712	0	34	-1.0	-35.06	313.13	3.03	-32.03
COCC(OC)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840712	1	34	-1.0	-35.09	313.17	3.03	-32.06
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C2COCCN12	REAL300019840713	0	35	-1.0	-36.26	312.33	3.89	-32.37
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2COCCN12	REAL300019840713	1	35	-1.0	-36.22	312.36	3.90	-32.32
N#CC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCOCC1	REAL300019840714	0	38	-1.0	-37.17	331.68	4.42	-32.75
N#CC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCOCC1	REAL300019840714	1	38	-1.0	-37.20	331.72	4.43	-32.77
CN1CCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840715	0	35	-1.0	-35.56	308.30	3.19	-32.37
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840715	1	36	0.0	-45.83	307.99	5.49	-40.34
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840715	1	36	0.0	-42.86	302.43	5.06	-37.80
CN1CCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840715	1	35	-1.0	-35.54	308.34	3.20	-32.34
CN1CCC[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840716	0	35	-1.0	-36.10	307.36	3.29	-32.81
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840716	1	36	0.0	-48.13	302.39	5.03	-43.10
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840716	1	36	0.0	-46.25	308.33	5.57	-40.68
CN1CCC[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840716	1	35	-1.0	-36.11	307.40	3.29	-32.82
C[C@H](C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N(C)C	REAL300019840717	0	34	-1.0	-34.81	291.86	2.46	-32.35
C[C@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019840717	1	35	0.0	-48.13	300.21	4.90	-43.23
C[C@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N(C)C	REAL300019840717	1	34	-1.0	-34.75	291.91	2.45	-32.30
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C(C2CC2)O1	REAL300019840718	0	33	-1.0	-37.38	313.74	3.46	-33.92
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C(C2CC2)O1	REAL300019840718	1	33	-1.0	-37.38	313.78	3.46	-33.92
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(=O)O1	REAL300019840719	0	32	-1.0	-40.99	311.70	1.61	-39.38
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(=O)O1	REAL300019840719	1	32	-1.0	-43.26	310.75	1.59	-41.67
CC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CO1	REAL300019840720	0	36	-1.0	-36.00	325.24	6.23	-29.77
CC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CO1	REAL300019840720	1	36	-1.0	-35.94	325.28	6.23	-29.71
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1C2CCCCCCC21	REAL300019840721	0	43	-1.0	-35.79	342.15	7.76	-28.03
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C2CCCCCCC21	REAL300019840721	1	43	-1.0	-35.79	342.19	7.77	-28.02
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=NN=NN2C=C1	REAL300019840722	0	31	-1.0	-34.08	299.56	4.21	-29.87
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=NN=NN2C=C1	REAL300019840722	1	31	-1.0	-34.17	298.55	4.18	-29.99
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC(C2CC2)CC1	REAL300019840723	0	43	-1.0	-34.21	358.51	8.37	-25.84
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC(C2CC2)CC1	REAL300019840723	1	43	-1.0	-34.23	358.56	8.37	-25.86
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2CCCC[N@@H+]21	REAL300019840724	0	43	0.0	-41.86	350.92	7.46	-34.40
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2CCCC[N@H+]21	REAL300019840724	1	43	0.0	-40.69	350.85	7.44	-33.25
CCCC(OCC)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840725	0	39	-1.0	-36.15	341.03	6.19	-29.96
CCCC(OCC)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840725	1	39	-1.0	-36.10	341.08	6.19	-29.91
COC1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840726	0	34	-1.0	-37.38	307.56	4.03	-33.35
COC1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840726	1	34	-1.0	-37.39	307.61	4.04	-33.35
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1C2CC3=CC=CC=C3C21	REAL300019840727	0	38	-1.0	-38.20	332.98	8.51	-29.69
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C2CC3=CC=CC=C3C21	REAL300019840727	1	38	-1.0	-38.23	333.02	8.51	-29.72
CCOC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC1	REAL300019840728	0	37	-1.0	-35.01	329.67	6.43	-28.58
CCOC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC1	REAL300019840728	1	37	-1.0	-35.56	328.68	6.40	-29.16
CSC1=CC(C)=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840729	0	34	-1.0	-37.59	328.12	5.97	-31.62
CSC1=CC(C)=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840729	1	34	-1.0	-37.51	328.16	5.97	-31.54
O=C(C=CC1=CC=CS1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840730	0	31	-1.0	-37.37	306.54	6.35	-31.02
O=C(C=CC1=CC=CS1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840730	1	31	-1.0	-37.39	306.58	6.37	-31.02
CC(CF)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840731	0	29	-1.0	-33.37	273.00	4.56	-28.81
CC(CF)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840731	1	29	-1.0	-33.34	273.05	4.57	-28.77
CC(C)C1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840732	0	39	-1.0	-36.84	342.96	8.00	-28.84
CC(C)C1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840732	1	39	-1.0	-36.82	343.00	8.01	-28.81
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN(C2CC2)N=C1	REAL300019840733	0	34	-1.0	-39.53	317.51	5.36	-34.17
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN(C2CC2)N=C1	REAL300019840733	1	34	-1.0	-39.54	317.46	5.37	-34.17
CC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NC=C1	REAL300019840734	0	38	-1.0	-35.67	336.56	6.24	-29.43
CC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NC=C1	REAL300019840734	1	38	-1.0	-35.67	336.61	6.24	-29.43
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1COC(=O)N1	REAL300019840735	0	29	-1.0	-37.41	278.82	0.36	-37.05
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1COC(=O)N1	REAL300019840735	1	29	-1.0	-37.41	278.86	0.36	-37.05
O=C(CC1=CSC=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840736	0	29	-1.0	-37.68	289.91	3.92	-33.76
O=C(CC1=CSC=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840736	1	29	-1.0	-37.63	289.94	3.92	-33.71
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840737	0	33	-1.0	-40.24	322.22	5.04	-35.20
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840737	1	33	-1.0	-40.22	322.27	5.06	-35.16
CC1=CN2C=CN=C2C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840738	0	36	-1.0	-49.08	328.52	8.00	-41.08
CC1=CN2C=CN=C2C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840738	1	36	-1.0	-49.09	328.49	8.00	-41.09
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2(CC2)C1	REAL300019840739	0	40	-1.0	-34.58	339.23	7.61	-26.97
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2(CC2)C1	REAL300019840739	1	40	-1.0	-34.54	339.27	7.61	-26.93
CCCN1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840740	0	36	-1.0	-35.26	325.02	5.41	-29.85
CCCN1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840740	1	36	-1.0	-35.28	324.95	5.42	-29.86
CC1=CN=CN1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840741	0	33	-1.0	-37.49	309.31	6.34	-31.15
CC1=CN=CN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840741	1	33	-1.0	-37.22	308.36	6.32	-30.90
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840741	1	34	0.0	-48.97	312.79	6.87	-42.10
COC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1C	REAL300019840742	0	37	-1.0	-37.21	326.59	6.16	-31.05
COC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1C	REAL300019840742	1	37	-1.0	-37.22	326.63	6.16	-31.06
CCC1=CNC(=O)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840743	0	36	-1.0	-53.77	327.00	4.71	-49.06
CCC1=CNC(=O)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840743	1	36	-1.0	-53.79	327.06	4.71	-49.08
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(O)CC1=CC=CC=C1	REAL300019840744	0	37	-1.0	-36.07	337.85	5.35	-30.72
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(O)CC1=CC=CC=C1	REAL300019840744	1	37	-1.0	-36.10	337.89	5.36	-30.74
CN1N=CC(Cl)=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840745	0	30	-1.0	-31.34	299.09	4.50	-26.84
CN1N=CC(Cl)=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840745	1	30	-1.0	-31.36	299.27	4.48	-26.88
CC1=CC(C)=CC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840746	0	39	-1.0	-36.60	350.23	8.09	-28.51
CC1=CC(C)=CC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840746	1	39	-1.0	-36.63	350.27	8.10	-28.53
CCC(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840747	0	29	-1.0	-36.08	279.10	4.69	-31.39
CCC(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840747	1	29	-1.0	-36.06	279.14	4.69	-31.37
CCN1N=CC(Cl)=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840748	0	33	-1.0	-31.13	308.64	5.72	-25.41
CCN1N=CC(Cl)=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840748	1	33	-1.0	-31.15	308.57	5.72	-25.43
COC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC1	REAL300019840749	0	37	-1.0	-34.67	325.42	5.96	-28.71
COC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019840749	1	37	-1.0	-34.66	325.47	5.96	-28.70
CCCCC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(C)C	REAL300019840750	0	44	-1.0	-35.02	360.32	7.99	-27.03
CCCCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(C)C	REAL300019840750	1	44	-1.0	-35.03	360.37	7.99	-27.04
CCN1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840751	0	33	-1.0	-45.17	310.26	6.22	-38.95
CCN1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840751	1	33	-1.0	-45.22	310.22	6.21	-39.01
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019840752	0	32	-1.0	-35.01	293.79	3.89	-31.12
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019840752	1	32	-1.0	-34.99	293.83	3.88	-31.11
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1C[C@H]2C[C@H]2C1	REAL300019840753	0	34	-1.0	-34.57	301.87	6.40	-28.17
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1C[C@H]2C[C@H]2C1	REAL300019840753	1	34	-1.0	-34.53	301.92	6.41	-28.12
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2(CC2)CC1	REAL300019840754	0	40	-1.0	-34.38	339.75	7.62	-26.76
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2(CC2)CC1	REAL300019840754	1	40	-1.0	-34.37	339.79	7.63	-26.74
CN1C=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019840755	0	30	-1.0	-42.87	303.56	4.40	-38.47
CN1C=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019840755	1	30	-1.0	-42.92	303.51	4.40	-38.52
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C(Cl)SC=C1	REAL300019840756	0	27	-1.0	-36.13	286.81	5.59	-30.54
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C(Cl)SC=C1	REAL300019840756	1	27	-1.0	-35.95	287.82	5.61	-30.34
CC(=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CS1	REAL300019840757	0	34	-1.0	-36.07	324.86	7.12	-28.95
CC(=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CS1	REAL300019840757	1	34	-1.0	-36.08	324.91	7.13	-28.95
CC1=NC=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840758	0	31	-1.0	-39.59	290.88	3.16	-36.43
CC1=NC=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840758	1	31	-1.0	-39.59	290.92	3.16	-36.43
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(CC2)C1	REAL300019840759	0	34	-1.0	-35.73	305.08	6.41	-29.32
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(CC2)C1	REAL300019840759	1	34	-1.0	-35.74	305.12	6.41	-29.33
CN1C=C(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019840760	0	35	-1.0	-41.93	324.60	4.03	-37.90
CN1C=C(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019840760	1	35	-1.0	-41.94	324.64	4.03	-37.91
CCOCCOCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840761	0	43	-1.0	-38.18	379.92	4.83	-33.35
CCOCCOCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840761	1	43	-1.0	-38.18	379.97	4.83	-33.35
CSC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C(C)O1	REAL300019840762	0	34	-1.0	-38.21	327.89	6.06	-32.15
CSC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C(C)O1	REAL300019840762	1	34	-1.0	-38.24	327.93	6.06	-32.18
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(Cl)=NO1	REAL300019840763	0	26	-1.0	-34.65	278.63	3.94	-30.71
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(Cl)=NO1	REAL300019840763	1	26	-1.0	-34.65	278.59	3.93	-30.72
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1COC(=O)N1	REAL300019840764	0	29	-1.0	-37.52	279.78	0.39	-37.13
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1COC(=O)N1	REAL300019840764	1	29	-1.0	-37.49	279.83	0.40	-37.09
CN1C(=O)NCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840765	0	33	-1.0	-37.61	303.73	1.55	-36.06
CN1C(=O)NCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840765	1	33	-1.0	-37.60	303.78	1.54	-36.06
C[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N(C)C	REAL300019840766	0	34	-1.0	-35.19	293.18	2.53	-32.66
C[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019840766	1	35	0.0	-44.54	301.04	4.93	-39.61
C[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N(C)C	REAL300019840766	1	34	-1.0	-35.15	293.22	2.54	-32.61
CCC(C)(C)C(=O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840767	0	37	-1.0	-37.95	318.93	5.32	-32.63
CCC(C)(C)C(=O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840767	1	37	-1.0	-37.95	318.97	5.32	-32.63
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1C[C@@H](O)C1	REAL300019840768	0	31	-1.0	-36.83	285.57	1.65	-35.18
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1C[C@@H](O)C1	REAL300019840768	1	31	-1.0	-37.56	284.60	1.63	-35.93
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840769	0	36	-1.0	-36.71	334.50	6.44	-30.27
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840769	1	36	-1.0	-36.74	334.55	6.46	-30.28
CC1=NOC(C2(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)CC2)=C1	REAL300019840770	0	36	-1.0	-36.03	330.24	6.36	-29.67
CC1=NOC(C2(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)CC2)=C1	REAL300019840770	1	36	-1.0	-36.01	330.30	6.35	-29.66
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2CCC[N@@H+]21	REAL300019840771	0	43	0.0	-43.66	340.40	7.09	-36.57
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2CCC[N@H+]21	REAL300019840771	1	43	0.0	-44.96	338.91	7.04	-37.92
CC=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840772	0	27	-1.0	-36.18	260.98	4.41	-31.77
CC=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840772	1	27	-1.0	-36.14	261.02	4.41	-31.73
CC1CN(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840773	0	39	-1.0	-36.74	338.47	3.19	-33.55
CC1CN(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840773	1	39	-1.0	-36.70	338.51	3.19	-33.51
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840773	1	40	0.0	-52.86	334.15	5.54	-47.32
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840773	1	40	0.0	-52.83	334.17	5.54	-47.29
CN1C=NC2=CN=CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=C21	REAL300019840774	0	35	-1.0	-40.13	316.81	5.60	-34.53
CN1C=NC2=CN=CC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)=C21	REAL300019840774	1	35	-1.0	-40.18	316.77	5.60	-34.58
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840775	0	42	0.0	-51.88	349.39	6.98	-44.90
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840775	1	42	0.0	-51.59	344.68	6.54	-45.05
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840775	1	42	0.0	-51.86	349.35	6.98	-44.88
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840775	1	42	0.0	-51.56	344.64	6.54	-45.02
CCC=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840776	0	30	-1.0	-35.95	282.07	5.17	-30.78
CCC=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840776	1	30	-1.0	-35.95	282.11	5.17	-30.78
O=C(C=CCN1C=NC=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840777	0	33	-1.0	-44.10	316.73	6.80	-37.30
O=C(C=CCN1C=NC=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840777	1	33	-1.0	-44.08	316.69	6.81	-37.27
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019840778	0	34	-1.0	-44.34	315.63	5.70	-38.64
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019840778	1	34	-1.0	-44.30	315.68	5.70	-38.60
CC1=CC=NN1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840779	0	33	-1.0	-37.01	309.39	4.67	-32.34
CC1=CC=NN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840779	1	33	-1.0	-37.04	309.43	4.68	-32.36
NC(=O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840780	0	24	-1.0	-39.37	242.74	-0.89	-40.26
NC(=O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840780	1	24	-1.0	-39.34	242.79	-0.89	-40.23
CC(Cl)=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840781	0	27	-1.0	-36.03	273.26	4.92	-31.11
CC(Cl)=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840781	1	27	-1.0	-35.99	273.30	4.93	-31.06
O=C(C=CC=C(Cl)Cl)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840782	0	28	-1.0	-34.56	304.12	6.03	-28.53
O=C(C=CC=C(Cl)Cl)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840782	1	28	-1.0	-34.53	304.17	6.05	-28.48
CC1=C(CO)C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840783	0	34	-1.0	-42.10	319.53	2.27	-39.83
CC1=C(CO)C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840783	1	34	-1.0	-42.11	319.57	2.27	-39.84
CN1CCCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1=O	REAL300019840784	0	40	-1.0	-35.25	323.67	5.60	-29.65
CN1CCCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1=O	REAL300019840784	1	40	-1.0	-35.18	323.71	5.60	-29.58
C[N@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019840785	0	44	0.0	-46.69	348.60	6.88	-39.81
C[N@@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019840785	1	44	0.0	-47.02	352.86	7.04	-39.98
CN(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)CC(C)(C)C	REAL300019840785	1	43	-1.0	-35.35	356.05	5.53	-29.82
CN(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019840785	1	43	-1.0	-35.29	356.10	5.53	-29.76
CN1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CC1=O	REAL300019840786	0	32	-1.0	-42.44	305.69	4.66	-37.78
CN1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CC1=O	REAL300019840786	1	32	-1.0	-42.45	305.65	4.66	-37.79
O=C(CC=CCC1=CC=CC=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840787	0	40	-1.0	-36.24	363.01	8.99	-27.25
O=C(CC=CCC1=CC=CC=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840787	1	40	-1.0	-36.18	363.05	8.99	-27.19
CN1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1=O	REAL300019840788	0	35	-1.0	-44.70	314.80	3.27	-41.43
CN1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1=O	REAL300019840788	1	35	-1.0	-44.66	314.84	3.28	-41.38
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840789	0	39	0.0	-46.45	336.96	6.39	-40.06
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840789	1	39	0.0	-46.47	337.00	6.38	-40.09
CC1=NN=C(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840790	0	34	-1.0	-40.16	319.92	0.48	-39.68
CC1=NN=C(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840790	1	34	-1.0	-40.13	319.96	0.48	-39.65
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN=C(C2CC2)O1	REAL300019840791	0	32	-1.0	-40.02	309.03	0.80	-39.22
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN=C(C2CC2)O1	REAL300019840791	1	32	-1.0	-39.98	309.07	0.80	-39.18
C=C1CC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840792	0	28	-1.0	-36.00	271.50	5.13	-30.87
C=C1CC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840792	1	28	-1.0	-35.98	271.54	5.13	-30.85
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CN2N=NN=C12	REAL300019840793	0	31	-1.0	-54.49	297.78	4.53	-49.96
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CN2N=NN=C12	REAL300019840793	1	31	-1.0	-54.53	297.74	4.52	-50.01
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(F)=CNC1=O	REAL300019840794	0	30	-1.0	-50.21	290.43	3.36	-46.85
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(F)=CNC1=O	REAL300019840794	1	30	-1.0	-49.44	289.42	3.52	-45.92
C#CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1	REAL300019840795	0	32	-1.0	-37.16	309.98	7.29	-29.87
C#CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1	REAL300019840795	1	32	-1.0	-37.18	310.03	7.29	-29.89
N#CC1(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCOC1	REAL300019840796	0	32	-1.0	-35.37	299.97	3.16	-32.21
N#CC1(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCOC1	REAL300019840796	1	32	-1.0	-35.39	300.01	3.17	-32.22
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=CC=N1	REAL300019840797	0	34	-1.0	-38.70	312.21	3.47	-35.23
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=CC=N1	REAL300019840797	1	34	-1.0	-38.68	312.25	3.47	-35.21
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CSN=C1Cl	REAL300019840798	0	26	-1.0	-33.20	280.99	4.15	-29.05
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CSN=C1Cl	REAL300019840798	1	26	-1.0	-33.22	280.95	4.15	-29.07
O=C(CCOC1COC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840799	0	35	-1.0	-35.36	319.73	2.38	-32.98
O=C(CCOC1COC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840799	1	35	-1.0	-35.34	319.78	2.38	-32.96
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CSC=C1Cl	REAL300019840800	0	27	-1.0	-36.09	287.84	5.54	-30.55
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CSC=C1Cl	REAL300019840800	1	27	-1.0	-36.07	287.88	5.55	-30.52
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019840801	0	41	-1.0	-35.98	352.49	6.04	-29.94
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019840801	1	41	-1.0	-35.99	352.54	6.05	-29.94
CCC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(C)(C)C	REAL300019840802	0	44	-1.0	-34.35	343.55	7.04	-27.31
CCC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(C)(C)C	REAL300019840802	1	44	-1.0	-34.35	343.59	7.02	-27.33
CCC1=CC=C(F)C=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840803	0	36	-1.0	-37.97	322.00	7.56	-30.41
CCC1=CC=C(F)C=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840803	1	36	-1.0	-38.02	322.04	7.56	-30.46
COCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CS1	REAL300019840804	0	34	-1.0	-38.61	324.67	4.84	-33.77
COCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CS1	REAL300019840804	1	34	-1.0	-38.60	324.71	4.85	-33.75
CN1C=CC2=CC=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=C21	REAL300019840805	0	37	-1.0	-40.88	336.45	7.83	-33.05
CN1C=CC2=CC=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=C21	REAL300019840805	1	37	-1.0	-40.86	336.49	7.84	-33.02
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840806	0	40	-1.0	-35.78	355.73	8.76	-27.02
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840806	1	40	-1.0	-35.72	355.77	8.77	-26.95
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)O1	REAL300019840807	0	30	-1.0	-40.46	301.63	5.19	-35.27
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)O1	REAL300019840807	1	30	-1.0	-40.47	301.68	5.20	-35.27
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C(C(F)F)N=CO1	REAL300019840808	0	29	-1.0	-39.65	291.34	1.69	-37.96
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C(C(F)F)N=CO1	REAL300019840808	1	29	-1.0	-39.65	291.39	1.70	-37.95
NC(=O)CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840809	0	30	-1.0	-40.13	285.10	0.62	-39.51
NC(=O)CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840809	1	30	-1.0	-40.11	285.15	0.62	-39.49
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC(C#CCO)=C1	REAL300019840810	0	36	-1.0	-40.44	342.27	4.89	-35.55
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC(C#CCO)=C1	REAL300019840810	1	36	-1.0	-40.10	342.31	4.89	-35.21
O=C(CN1CCOC1=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840811	0	32	-1.0	-46.46	301.65	3.57	-42.89
O=C(CN1CCOC1=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840811	1	32	-1.0	-46.45	301.70	3.57	-42.88
O=C(CCCN1C=NC=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840812	0	35	-1.0	-42.45	325.09	6.97	-35.48
O=C(CCCN1C=NC=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840812	1	35	-1.0	-42.43	325.05	6.96	-35.47
O=C(CN1CCNC(=O)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840813	0	36	-1.0	-41.87	319.58	0.16	-41.71
O=C(CN1CCNC(=O)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840813	1	36	-1.0	-41.84	319.63	0.17	-41.67
CCCC=CC(O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840814	0	37	-1.0	-34.63	333.04	4.68	-29.95
CCCC=CC(O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840814	1	37	-1.0	-34.65	333.09	4.67	-29.98
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(Cl)=NN1	REAL300019840815	0	30	-1.0	-36.03	305.22	3.45	-32.58
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(Cl)=NN1	REAL300019840815	1	30	-1.0	-40.37	304.24	3.42	-36.95
CC1=NC=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019840816	0	32	-1.0	-38.36	304.83	2.37	-35.99
CC1=NC=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840816	1	32	-1.0	-38.35	304.86	2.38	-35.97
O=C(CC1=CON=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840817	0	29	-1.0	-36.18	282.43	4.17	-32.01
O=C(CC1=CON=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840817	1	29	-1.0	-36.18	282.39	4.16	-32.02
CC1=NC=C(C=CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019840818	0	33	-1.0	-37.53	323.57	5.26	-32.27
CC1=NC=C(C=CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019840818	1	33	-1.0	-37.52	323.61	5.26	-32.26
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NC2=CC=NN21	REAL300019840819	0	32	-1.0	-43.60	301.72	5.46	-38.14
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NC2=CC=NN21	REAL300019840819	1	32	-1.0	-44.17	301.67	5.32	-38.85
C[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840820	0	39	0.0	-54.85	326.94	6.14	-48.71
C[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840820	1	39	0.0	-54.87	326.89	6.13	-48.74
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=CN=C1Cl	REAL300019840821	0	28	-1.0	-40.01	287.51	2.97	-37.04
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=CN=C1Cl	REAL300019840821	1	28	-1.0	-40.06	287.47	2.97	-37.09
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC2=CC=NN2C=C1	REAL300019840822	0	32	-1.0	-42.11	307.45	5.07	-37.04
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC2=CC=NN2C=C1	REAL300019840822	1	32	-1.0	-42.16	307.41	5.07	-37.09
CN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N(C)C1=O	REAL300019840823	0	34	-1.0	-36.27	314.93	4.83	-31.44
CN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N(C)C1=O	REAL300019840823	1	34	-1.0	-36.30	314.97	4.84	-31.46
CC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1C	REAL300019840824	0	33	-1.0	-40.06	302.62	5.01	-35.05
CC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1C	REAL300019840824	1	33	-1.0	-40.04	302.67	5.02	-35.02
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840825	0	31	-1.0	-46.30	292.00	1.69	-44.61
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840825	1	31	-1.0	-46.33	292.04	1.70	-44.63
CC[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019840826	0	38	0.0	-47.05	313.40	5.52	-41.53
CC[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N(C)C	REAL300019840826	1	37	-1.0	-35.09	315.79	3.85	-31.24
CC[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N(C)C	REAL300019840826	1	37	-1.0	-35.05	315.83	3.85	-31.20
CC[C@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019840827	0	38	0.0	-46.48	312.44	5.57	-40.91
CC[C@H](C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N(C)C	REAL300019840827	1	37	-1.0	-34.88	308.14	2.93	-31.95
CC[C@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N(C)C	REAL300019840827	1	37	-1.0	-34.89	308.20	2.94	-31.95
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840828	0	44	0.0	-49.28	354.65	4.67	-44.61
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840828	1	44	0.0	-48.46	353.82	4.26	-44.20
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840828	1	44	0.0	-49.27	354.61	4.67	-44.60
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840828	1	44	0.0	-48.44	353.77	4.26	-44.18
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1C(F)(F)C12CCC2	REAL300019841202	0	34	-1.0	-34.87	316.14	6.65	-28.22
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C(F)(F)C12CCC2	REAL300019841202	1	34	-1.0	-34.87	316.18	6.66	-28.21
C=C(C)CCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841203	0	36	-1.0	-34.72	324.58	6.56	-28.16
C=C(C)CCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841203	1	36	-1.0	-34.69	324.62	6.56	-28.13
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841204	0	28	-1.0	-35.32	277.90	4.96	-30.36
N#C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841204	1	28	-1.0	-35.28	277.94	4.96	-30.32
COCC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCCC1	REAL300019841205	0	43	-1.0	-35.91	356.63	6.06	-29.85
COCC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCCC1	REAL300019841205	1	43	-1.0	-35.91	356.68	6.06	-29.85
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC(CCl)=C1	REAL300019841206	0	33	-1.0	-37.16	320.34	7.35	-29.81
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC(CCl)=C1	REAL300019841206	1	33	-1.0	-37.15	320.38	7.36	-29.79
N#CC1=C(N)N(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=C1	REAL300019841207	0	33	-1.0	-39.50	323.53	3.47	-36.03
N#CC1=C(N)N(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=C1	REAL300019841207	1	33	-1.0	-39.48	323.49	3.46	-36.02
CCCC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(=O)OC	REAL300019841208	0	38	-1.0	-37.77	336.47	6.81	-30.96
CCCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(=O)OC	REAL300019841208	1	38	-1.0	-37.74	336.52	6.83	-30.91
O=C(CCC[N+](=O)[O-])NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841209	0	31	-1.0	-38.04	298.02	4.97	-33.07
O=C(CCC[N+](=O)[O-])NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841209	1	31	-1.0	-38.01	298.06	4.97	-33.04
C[C@H](CC1CCCCC1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841210	0	45	-1.0	-34.59	364.62	8.22	-26.37
C[C@H](CC1CCCCC1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841210	1	45	-1.0	-34.56	364.66	8.23	-26.33
CC1(C)C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841211	0	34	-1.0	-36.69	310.19	6.29	-30.40
CC1(C)C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841211	1	34	-1.0	-36.52	309.22	6.26	-30.26
CC1=CC(COCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NO1	REAL300019841212	0	36	-1.0	-38.36	337.08	5.21	-33.15
CC1=CC(COCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NO1	REAL300019841212	1	36	-1.0	-38.33	337.12	5.21	-33.12
CCCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(C)=N1	REAL300019841213	0	39	-1.0	-36.10	347.96	6.04	-30.06
CCCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(C)=N1	REAL300019841213	1	39	-1.0	-36.13	348.01	6.05	-30.08
CCCN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1C	REAL300019841214	0	39	-1.0	-39.90	346.67	5.96	-33.94
CCCN1N=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1C	REAL300019841214	1	39	-1.0	-39.87	346.72	5.95	-33.92
O=C(C#CC1CCCCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841215	0	38	-1.0	-36.62	337.41	7.70	-28.92
O=C(C#CC1CCCCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841215	1	38	-1.0	-36.82	338.42	7.72	-29.10
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NNC=C1Cl	REAL300019841216	0	27	-1.0	-41.58	280.71	3.06	-38.52
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NNC=C1Cl	REAL300019841216	1	27	-1.0	-41.57	280.76	3.07	-38.50
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(O)C1(O)CCC1	REAL300019841217	0	35	-1.0	-36.02	306.63	1.35	-34.67
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(O)C1(O)CCC1	REAL300019841217	1	35	-1.0	-36.01	306.72	1.35	-34.66
C[N@H+]1CC=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841218	0	40	0.0	-54.75	342.17	6.83	-47.92
C[N@@H+]1CC=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841218	1	40	0.0	-53.82	342.18	6.83	-46.99
CC(O)C(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841219	0	30	-1.0	-36.48	288.93	1.90	-34.58
CC(O)C(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841219	1	30	-1.0	-36.45	288.98	1.91	-34.54
CC(CN1C=CN=C1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841220	0	36	-1.0	-37.21	324.91	6.84	-30.37
CC(CN1C=CN=C1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841220	1	36	-1.0	-37.19	324.95	6.85	-30.34
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N1CC2=CC=CC=C2C1	REAL300019841221	0	36	-1.0	-37.52	324.48	7.05	-30.47
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N1CC2=CC=CC=C2C1	REAL300019841221	1	36	-1.0	-37.44	324.53	7.06	-30.38
N#C[C@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841222	0	28	-1.0	-41.20	273.87	4.85	-36.35
N#C[C@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841222	1	28	-1.0	-41.22	273.91	4.85	-36.37
C=C(C)CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841223	0	33	-1.0	-34.63	303.34	5.79	-28.84
C=C(C)CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841223	1	33	-1.0	-34.59	303.39	5.79	-28.80
CCC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(C)C	REAL300019841224	0	38	-1.0	-34.83	318.09	6.13	-28.70
CCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(C)C	REAL300019841224	1	38	-1.0	-34.75	318.12	6.14	-28.61
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=CC=NN21	REAL300019841225	0	33	-1.0	-47.09	306.38	6.21	-40.88
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=CC=NN21	REAL300019841225	1	33	-1.0	-47.12	306.34	6.21	-40.91
COC(=O)C1(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841226	0	39	-1.0	-37.80	346.60	6.18	-31.62
COC(=O)C1(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841226	1	39	-1.0	-37.81	346.64	6.18	-31.63
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=COC2=C1COC2	REAL300019841227	0	32	-1.0	-36.49	302.27	3.52	-32.97
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=COC2=C1COC2	REAL300019841227	1	32	-1.0	-36.44	302.32	3.53	-32.91
CC(C)N1C=NN=C1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841228	0	38	-1.0	-39.51	343.29	6.93	-32.58
CC(C)N1C=NN=C1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841228	1	38	-1.0	-39.52	343.33	6.94	-32.58
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(C2CCC2)N=C1	REAL300019841229	0	39	-1.0	-38.06	342.49	6.82	-31.24
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(C2CCC2)N=C1	REAL300019841229	1	39	-1.0	-38.06	342.54	6.82	-31.24
N#CC1=CN(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=C1	REAL300019841230	0	31	-1.0	-39.08	307.93	4.63	-34.45
N#CC1=CN(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=C1	REAL300019841230	1	31	-1.0	-40.99	308.87	4.66	-36.33
O=C(CCC1=CON=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841231	0	32	-1.0	-37.48	302.84	4.95	-32.53
O=C(CCC1=CON=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841231	1	32	-1.0	-37.50	302.80	4.95	-32.55
CC1=CC(C2CC2)=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841232	0	39	-1.0	-38.56	343.54	7.04	-31.52
CC1=CC(C2CC2)=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841232	1	39	-1.0	-38.50	343.59	7.04	-31.46
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NN1C	REAL300019841233	0	33	-1.0	-43.94	307.74	4.35	-39.59
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NN1C	REAL300019841233	1	33	-1.0	-43.87	307.77	4.35	-39.52
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1C2CCOCC21	REAL300019841234	0	35	-1.0	-36.19	310.26	4.67	-31.52
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C2CCOCC21	REAL300019841234	1	35	-1.0	-36.22	310.30	4.67	-31.55
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=NC=C1	REAL300019841235	0	36	-1.0	-37.40	329.37	6.34	-31.06
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1	REAL300019841235	1	36	-1.0	-37.39	329.42	6.34	-31.05
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)(F)CC1CC1	REAL300019841236	0	33	-1.0	-35.68	310.22	6.22	-29.46
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)(F)CC1CC1	REAL300019841236	1	33	-1.0	-35.63	310.26	6.23	-29.40
O=C(C#CC1CCCO1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841237	0	33	-1.0	-37.96	310.54	4.70	-33.26
O=C(C#CC1CCCO1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841237	1	33	-1.0	-37.92	310.58	4.70	-33.22
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C(C)O1	REAL300019841238	0	36	-1.0	-37.44	327.89	6.47	-30.97
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C(C)O1	REAL300019841238	1	36	-1.0	-37.43	327.93	6.48	-30.95
CN1N=NC2=CC=CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=C21	REAL300019841239	0	35	-1.0	-38.70	323.37	4.21	-34.49
CN1N=NC2=CC=CC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)=C21	REAL300019841239	1	35	-1.0	-38.71	323.33	4.21	-34.50
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)N1	REAL300019841240	0	28	-1.0	-33.90	286.96	4.29	-29.61
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)N1	REAL300019841240	1	28	-1.0	-33.87	287.00	4.29	-29.58
CC1=C(C)NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841241	0	34	-1.0	-36.35	310.34	5.04	-31.31
CC1=C(C)NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841241	1	34	-1.0	-36.35	310.38	5.05	-31.30
CCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C(C)O1	REAL300019841242	0	36	-1.0	-37.48	327.85	6.47	-31.01
CCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C(C)O1	REAL300019841242	1	36	-1.0	-37.46	327.89	6.48	-30.98
CC1OCCC1(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841243	0	34	-1.0	-36.17	303.03	3.81	-32.36
CC1OCCC1(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841243	1	34	-1.0	-36.16	303.08	3.81	-32.35
CN1C=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841244	0	37	-1.0	-40.72	339.18	5.86	-34.86
CN1C=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841244	1	37	-1.0	-40.72	339.22	5.86	-34.86
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)=C1CC1	REAL300019841245	0	31	-1.0	-37.04	290.12	6.05	-30.99
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)=C1CC1	REAL300019841245	1	31	-1.0	-37.02	290.17	6.05	-30.97
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2=C1NC=N2	REAL300019841246	0	37	-1.0	-35.71	322.28	6.30	-29.41
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2=C1NC=N2	REAL300019841246	1	37	-1.0	-35.74	322.33	6.30	-29.44
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCN2N=CN=C2C1	REAL300019841247	0	36	-1.0	-37.61	322.47	6.06	-31.55
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCN2N=CN=C2C1	REAL300019841247	1	36	-1.0	-37.58	322.52	6.06	-31.52
COC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCOC1	REAL300019841248	0	41	-1.0	-35.86	350.66	4.64	-31.22
COC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCOC1	REAL300019841248	1	41	-1.0	-35.85	350.71	4.65	-31.20
CN1C=CC2=CC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)=CC=C21	REAL300019841249	0	37	-1.0	-40.67	336.40	7.85	-32.82
CN1C=CC2=CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=CC=C21	REAL300019841249	1	37	-1.0	-40.70	336.44	7.85	-32.85
CCC(C)(C)CCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841250	0	44	-1.0	-34.57	359.87	7.53	-27.04
CCC(C)(C)CCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841250	1	44	-1.0	-34.52	359.92	7.53	-26.99
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1	REAL300019841251	0	40	-1.0	-35.78	356.73	8.79	-26.99
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1	REAL300019841251	1	40	-1.0	-35.77	356.78	8.80	-26.97
CCCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C(C)O1	REAL300019841252	0	39	-1.0	-37.29	348.36	7.24	-30.05
CCCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C(C)O1	REAL300019841252	1	39	-1.0	-37.25	348.40	7.24	-30.01
CN1C=CC2=CC=NC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=C21	REAL300019841253	0	36	-1.0	-45.90	330.76	5.61	-40.29
CN1C=CC2=CC=NC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)=C21	REAL300019841253	1	36	-1.0	-41.68	329.94	5.60	-36.08
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)OC=N1	REAL300019841254	0	32	-1.0	-38.22	301.25	2.16	-36.06
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)OC=N1	REAL300019841254	1	32	-1.0	-38.23	301.29	2.16	-36.07
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CCCS1	REAL300019841255	0	29	-1.0	-41.58	283.50	5.30	-36.28
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CCCS1	REAL300019841255	1	29	-1.0	-41.57	283.54	5.30	-36.27
CC(=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(C)C	REAL300019841256	0	36	-1.0	-35.95	315.34	6.35	-29.60
CC(=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(C)C	REAL300019841256	1	36	-1.0	-35.97	315.40	6.35	-29.62
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=NC=CC=C2N=C1	REAL300019841257	0	34	-1.0	-39.99	318.15	4.58	-35.41
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=NC=CC=C2N=C1	REAL300019841257	1	34	-1.0	-39.98	318.12	4.58	-35.40
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=CS1	REAL300019841258	0	29	-1.0	-41.78	286.09	3.87	-37.91
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=CS1	REAL300019841258	1	29	-1.0	-41.66	287.08	3.88	-37.78
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CSC2=NC=CN12	REAL300019841259	0	30	-1.0	-39.27	300.24	5.82	-33.45
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CSC2=NC=CN12	REAL300019841259	1	30	-1.0	-39.49	300.10	5.81	-33.68
CSC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(C)C	REAL300019841260	0	36	-1.0	-33.68	325.16	6.42	-27.26
CSC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(C)C	REAL300019841260	1	36	-1.0	-33.67	325.21	6.43	-27.24
NC(=O)C1=CN=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019841261	0	32	-1.0	-39.58	311.86	-0.64	-40.22
NC(=O)C1=CN=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019841261	1	32	-1.0	-39.64	311.82	-0.64	-40.28
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC(F)C1	REAL300019841262	0	30	-1.0	-35.60	279.70	5.14	-30.46
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC(F)C1	REAL300019841262	1	30	-1.0	-35.62	279.74	5.14	-30.48
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CC(C)=N1	REAL300019841263	0	35	-1.0	-35.57	321.21	5.55	-30.02
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CC(C)=N1	REAL300019841263	1	35	-1.0	-35.54	321.26	5.56	-29.98
CCC(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841264	0	29	-1.0	-35.21	274.21	4.57	-30.64
CCC(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841264	1	29	-1.0	-35.21	274.26	4.57	-30.64
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019841265	0	36	-1.0	-34.85	328.53	7.34	-27.51
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019841265	1	36	-1.0	-34.82	328.58	7.35	-27.47
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2=NC=NN21	REAL300019841266	0	36	-1.0	-42.30	320.49	6.42	-35.88
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2=NC=NN21	REAL300019841266	1	36	-1.0	-42.31	320.53	6.42	-35.89
O=C(CC1(O)CCCOC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841267	0	38	-1.0	-35.00	323.55	2.88	-32.12
O=C(CC1(O)CCCOC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841267	1	38	-1.0	-35.01	323.60	2.89	-32.12
N#CC1=CNN=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841268	0	28	-1.0	-44.69	285.92	3.02	-41.67
N#CC1=CNN=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841268	1	28	-1.0	-44.61	285.97	3.03	-41.58
O=C(C=CC1=COC=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841269	0	30	-1.0	-42.61	294.22	2.09	-40.52
O=C(C=CC1=COC=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841269	1	30	-1.0	-42.61	294.27	2.08	-40.53
O=C(CCC1=NNC=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841270	0	33	-1.0	-38.68	307.67	3.93	-34.75
O=C(CCC1=NNC=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841270	1	33	-1.0	-38.68	307.71	3.93	-34.75
CN1C=CN=C1C(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841271	0	33	-1.0	-41.40	315.33	5.69	-35.71
CN1C=CN=C1C(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841271	1	33	-1.0	-41.43	315.29	5.69	-35.74
CCC1=CNC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841272	0	34	-1.0	-39.20	310.56	5.41	-33.79
CCC1=CNC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841272	1	34	-1.0	-39.19	310.60	5.41	-33.78
O=C(CC1(O)CCOC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841273	0	35	-1.0	-35.08	307.94	1.72	-33.36
O=C(CC1(O)CCOC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841273	1	35	-1.0	-35.09	307.98	1.73	-33.36
CN(C)C(=O)C=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841274	0	34	-1.0	-40.85	316.66	3.85	-37.00
CN(C)C(=O)C=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841274	1	34	-1.0	-40.86	316.69	3.85	-37.01
O=C(C=CC(=O)NC1CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841275	0	35	-1.0	-39.83	329.87	3.61	-36.22
O=C(C=CC(=O)NC1CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841275	1	35	-1.0	-39.76	329.91	3.61	-36.15
O=C(CC1=CNN=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841276	0	30	-1.0	-37.12	287.30	3.26	-33.86
O=C(CC1=CNN=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841276	1	30	-1.0	-37.11	287.26	3.25	-33.86
CC1=CN(C(C)C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=C1	REAL300019841277	0	36	-1.0	-38.67	327.30	5.34	-33.33
CC1=CN(C(C)C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=C1	REAL300019841277	1	36	-1.0	-38.68	327.26	5.34	-33.34
O=C(C=CC1=CC=C(F)N=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841278	0	33	-1.0	-38.88	318.59	5.46	-33.42
O=C(C=CC1=CC=C(F)N=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841278	1	33	-1.0	-38.87	318.63	5.46	-33.41
O=C(COC1=NOC=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841279	0	30	-1.0	-40.01	293.27	2.66	-37.35
O=C(COC1=NOC=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841279	1	30	-1.0	-40.08	293.23	2.66	-37.42
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC[N@@H+]2CCOCC12	REAL300019841280	0	41	0.0	-49.67	336.91	4.81	-44.86
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC[N@H+]2CCOCC12	REAL300019841280	1	41	0.0	-49.61	338.35	4.70	-44.91
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=NC=NN2C=C1	REAL300019841281	0	32	-1.0	-35.48	303.86	6.50	-28.98
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=NC=NN2C=C1	REAL300019841281	1	32	-1.0	-35.53	303.82	6.48	-29.05
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CC[C@H]2C[C@@H]1CO2	REAL300019841282	0	38	-1.0	-35.00	315.70	4.78	-30.22
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CC[C@H]2C[C@@H]1CO2	REAL300019841282	1	38	-1.0	-34.99	315.75	4.78	-30.21
O=C(CC1(CO)CCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841283	0	37	-1.0	-35.73	319.36	2.96	-32.77
O=C(CC1(CO)CCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841283	1	37	-1.0	-35.77	319.47	2.96	-32.81
CC1=CC=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841284	0	33	-1.0	-37.28	316.71	7.29	-29.99
CC1=CC=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841284	1	33	-1.0	-37.28	316.76	7.29	-29.99
CCC(CCOC)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841285	0	39	-1.0	-35.96	333.88	4.70	-31.26
CCC(CCOC)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841285	1	39	-1.0	-35.87	333.92	4.70	-31.17
CC1=NC(N)=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841286	0	33	-1.0	-36.03	303.20	4.10	-31.93
CC1=NC(N)=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841286	1	33	-1.0	-35.98	303.24	4.11	-31.87
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1F	REAL300019841287	0	30	-2.0	-87.94	299.80	4.14	-83.80
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1F	REAL300019841287	1	30	-2.0	-88.71	300.80	4.15	-84.56
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=CN1	REAL300019841288	0	27	-1.0	-42.61	265.88	2.82	-39.79
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=CN1	REAL300019841288	1	27	-1.0	-42.57	265.93	2.83	-39.74
C=C(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(C)C	REAL300019841289	0	33	-1.0	-36.42	285.00	6.17	-30.25
C=C(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(C)C	REAL300019841289	1	33	-1.0	-36.30	285.00	6.18	-30.12
CN1N=CC=C1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841290	0	33	-1.0	-37.14	307.66	4.28	-32.86
CN1N=CC=C1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841290	1	33	-1.0	-37.55	306.71	4.27	-33.28
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CSC(=O)N1	REAL300019841291	0	29	-1.0	-36.14	289.13	1.55	-34.59
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CSC(=O)N1	REAL300019841291	1	29	-1.0	-36.08	289.17	1.56	-34.52
NC(=O)C1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NN1	REAL300019841292	0	31	-1.0	-42.79	303.11	-0.78	-43.57
NC(=O)C1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NN1	REAL300019841292	1	31	-1.0	-42.78	303.15	-0.78	-43.56
CC1(C)C(O)CC1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841293	0	40	-1.0	-37.12	340.67	3.58	-33.54
CC1(C)C(O)CC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841293	1	40	-1.0	-37.15	340.71	3.58	-33.57
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2(C1)CCOC2	REAL300019841294	0	36	-1.0	-35.89	322.32	4.87	-31.02
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2(C1)CCOC2	REAL300019841294	1	36	-1.0	-35.88	322.36	4.88	-31.00
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NN1CCF	REAL300019841295	0	33	-1.0	-36.30	301.96	5.33	-30.97
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NN1CCF	REAL300019841295	1	33	-1.0	-36.33	301.93	5.33	-31.00
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=CS1	REAL300019841296	0	32	-1.0	-41.76	307.58	4.63	-37.13
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=CS1	REAL300019841296	1	32	-1.0	-41.77	308.55	4.66	-37.11
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2SC=CN12	REAL300019841297	0	30	-1.0	-36.51	296.74	5.79	-30.72
CC1=NC=C(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019841298	0	35	-1.0	-36.52	334.51	5.50	-31.02
CC1=NC=C(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019841298	1	35	-1.0	-36.54	334.56	5.50	-31.04
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCO1	REAL300019841299	0	32	-1.0	-36.70	290.00	4.43	-32.27
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCO1	REAL300019841299	1	32	-1.0	-36.71	290.04	4.43	-32.28
CCCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841300	0	36	-1.0	-44.45	331.26	5.48	-38.97
CCCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841300	1	36	-1.0	-44.44	331.21	5.48	-38.96
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC(F)=CC=C1Cl	REAL300019841301	0	29	-1.0	-42.37	299.01	4.83	-37.54
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC(F)=CC=C1Cl	REAL300019841301	1	29	-1.0	-42.41	298.96	4.83	-37.58
O=C(CN1N=CC2=NC=CC=C21)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841302	0	35	-1.0	-41.67	330.80	4.47	-37.20
O=C(CN1N=CC2=NC=CC=C21)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841302	1	35	-1.0	-41.69	330.75	4.46	-37.23
CCC(C)N1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841303	0	39	-1.0	-35.46	341.95	5.98	-29.48
CCC(C)N1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841303	1	39	-1.0	-35.51	341.87	5.98	-29.53
C[C@H](CC(F)(F)F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841304	0	32	-1.0	-33.77	300.80	5.41	-28.36
C[C@H](CC(F)(F)F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841304	1	32	-1.0	-33.75	300.85	5.41	-28.34
CCN1C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841305	0	34	-1.0	-39.42	310.68	6.45	-32.97
CCN1C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841305	1	34	-1.0	-39.39	310.73	6.46	-32.93
CC1=C(O)C=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1C	REAL300019841306	0	37	-1.0	-37.30	325.34	4.55	-32.75
CC1=C(O)C=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1C	REAL300019841306	1	37	-1.0	-37.30	325.38	4.55	-32.75
CC(=CN1C=CN=N1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841307	0	33	-1.0	-41.74	306.30	4.63	-37.11
CC(=CN1C=CN=N1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841307	1	33	-1.0	-41.66	306.35	4.63	-37.03
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)=CC1CC1	REAL300019841308	0	31	-1.0	-37.23	297.48	6.02	-31.21
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)=CC1CC1	REAL300019841308	1	31	-1.0	-37.23	297.52	6.02	-31.21
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL300019841309	0	34	-1.0	-33.50	310.95	6.50	-27.00
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL300019841309	1	34	-1.0	-33.48	311.00	6.50	-26.98
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2)O1	REAL300019841310	0	37	-1.0	-39.40	329.52	6.76	-32.64
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2)O1	REAL300019841310	1	37	-1.0	-39.31	329.55	6.76	-32.55
CC1=CC=C2C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)=CNC2=C1	REAL300019841311	0	37	-1.0	-39.35	336.57	6.75	-32.60
CC1=CC=C2C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=CNC2=C1	REAL300019841311	1	37	-1.0	-39.33	336.62	6.75	-32.58
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N(C)C=N1	REAL300019841312	0	33	-1.0	-36.45	297.31	6.06	-30.39
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N(C)C=N1	REAL300019841312	1	33	-1.0	-36.41	297.33	6.06	-30.35
COC1=NNC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841313	0	31	-1.0	-33.99	298.16	0.36	-33.63
COC1=NNC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841313	1	31	-1.0	-33.89	298.20	0.36	-33.53
CC1CC(=O)NC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841314	0	34	-1.0	-36.30	306.35	2.14	-34.16
CC1CC(=O)NC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841314	1	34	-1.0	-36.33	306.40	2.14	-34.19
CCC1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCC1=O	REAL300019841315	0	41	-1.0	-34.34	341.32	6.64	-27.70
CCC1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCC1=O	REAL300019841315	1	41	-1.0	-34.28	341.36	6.64	-27.64
COCC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841316	0	33	-1.0	-37.21	316.37	3.21	-34.00
COCC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841316	1	33	-1.0	-37.14	316.41	3.22	-33.92
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)(F)C1=CC=CN=C1	REAL300019841317	0	32	-1.0	-37.26	311.12	5.05	-32.21
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)(F)C1=CC=CN=C1	REAL300019841317	1	32	-1.0	-37.31	311.08	5.05	-32.26
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC1F	REAL300019841318	0	27	-1.0	-33.71	263.70	4.63	-29.08
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC1F	REAL300019841318	1	27	-1.0	-33.68	263.74	4.63	-29.05
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(C1)CCOC2	REAL300019841319	0	38	-1.0	-35.57	329.96	4.92	-30.65
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(C1)CCOC2	REAL300019841319	1	38	-1.0	-35.58	330.00	4.92	-30.66
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C2CCCC2=N1	REAL300019841320	0	36	-1.0	-43.11	325.51	6.23	-36.88
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C2CCCC2=N1	REAL300019841320	1	36	-1.0	-43.17	325.55	6.24	-36.93
CC(C)(C)C1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841321	0	40	-1.0	-35.68	353.06	6.21	-29.47
CC(C)(C)C1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841321	1	40	-1.0	-35.67	353.11	6.21	-29.46
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=COC2=C1CCCC2	REAL300019841322	0	37	-1.0	-37.50	327.96	6.75	-30.75
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=COC2=C1CCCC2	REAL300019841322	1	37	-1.0	-37.48	328.00	6.75	-30.73
CCC1(CC)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841323	0	42	-1.0	-35.21	349.26	7.36	-27.85
CCC1(CC)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841323	1	42	-1.0	-35.21	349.31	7.37	-27.84
CC(C)(C)C1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841324	0	38	-1.0	-37.89	344.11	5.98	-31.91
CC(C)(C)C1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841324	1	38	-1.0	-37.92	344.07	5.98	-31.94
O=C(CN1N=CN=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841325	0	28	-1.0	-37.68	277.77	2.96	-34.72
O=C(CN1N=CN=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841325	1	28	-1.0	-37.71	277.72	2.95	-34.76
CC1(C)[C@@H]2C[C@@H](C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C[C@@H]21	REAL300019841326	0	40	-1.0	-35.42	335.83	7.35	-28.07
CC1(C)[C@@H]2C[C@@H](C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C[C@@H]21	REAL300019841326	1	40	-1.0	-35.37	335.87	7.35	-28.02
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL300019841327	0	36	-1.0	-38.81	329.66	6.27	-32.54
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL300019841327	1	36	-1.0	-38.81	329.70	6.27	-32.54
CC(C)=CCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841328	0	36	-1.0	-34.71	319.65	6.49	-28.22
CC(C)=CCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841328	1	36	-1.0	-34.74	319.69	6.50	-28.24
COC1=CC=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841329	0	33	-1.0	-41.10	305.48	4.76	-36.34
COC1=CC=NC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841329	1	33	-1.0	-41.13	305.43	4.75	-36.38
CC(=O)OCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841330	0	35	-1.0	-38.82	325.93	5.53	-33.29
CC(=O)OCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841330	1	35	-1.0	-38.78	325.97	5.54	-33.24
CC(=O)NC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841331	0	42	-1.0	-38.08	354.04	4.18	-33.90
CC(=O)NC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841331	1	42	-1.0	-38.10	354.10	4.18	-33.92
CC1=C(C)OC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841332	0	38	-1.0	-39.10	345.85	3.67	-35.43
CC1=C(C)OC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841332	1	38	-1.0	-39.11	345.89	3.68	-35.43
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1CNC2=O	REAL300019841333	0	35	-1.0	-36.77	323.49	3.52	-33.25
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1CNC2=O	REAL300019841333	1	35	-1.0	-36.80	323.53	3.53	-33.27
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN(C2COC2)N=N1	REAL300019841334	0	34	-1.0	-43.75	320.02	1.50	-42.25
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN(C2COC2)N=N1	REAL300019841334	1	34	-1.0	-43.77	319.98	1.49	-42.28
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN(CCF)C=C1	REAL300019841335	0	33	-1.0	-43.04	315.34	4.84	-38.20
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN(CCF)C=C1	REAL300019841335	1	33	-1.0	-43.08	315.29	4.84	-38.24
O=C(CCC1=CC=C(F)N=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841336	0	35	-1.0	-36.94	329.12	5.72	-31.22
O=C(CCC1=CC=C(F)N=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841336	1	35	-1.0	-36.90	329.08	5.71	-31.19
CC1=NC=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019841337	0	32	-1.0	-37.14	314.12	4.74	-32.40
CC1=NC=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019841337	1	32	-1.0	-37.12	314.15	4.75	-32.37
CC1=C(C)NC(C=CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841338	0	37	-1.0	-42.14	340.33	5.31	-36.83
CC1=C(C)NC(C=CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841338	1	37	-1.0	-42.19	340.38	5.31	-36.88
CS(C)(=O)=NC(=O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841339	0	32	-1.0	-59.22	315.35	0.55	-58.67
CS(C)(=O)=NC(=O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841339	1	32	-1.0	-59.21	315.37	0.53	-58.68
CC(C(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)(F)F	REAL300019841340	0	32	-1.0	-31.97	303.97	5.44	-26.53
CC(C(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)(F)F	REAL300019841340	1	32	-1.0	-31.98	304.02	5.45	-26.53
CC1=CNC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841341	0	36	-1.0	-38.91	329.12	4.83	-34.08
CC1=CNC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841341	1	36	-1.0	-38.84	329.17	4.83	-34.01
N#CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019841342	0	30	-2.0	-93.39	302.37	2.50	-90.89
N#CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019841342	1	30	-2.0	-93.36	302.43	2.50	-90.86
CCCC(CC)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841343	0	41	-1.0	-34.58	343.29	7.16	-27.42
CCCC(CC)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841343	1	41	-1.0	-34.53	343.34	7.16	-27.37
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=COC2=C1CSC2	REAL300019841344	0	32	-1.0	-35.07	312.47	5.69	-29.38
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=COC2=C1CSC2	REAL300019841344	1	32	-1.0	-35.03	312.51	5.69	-29.34
CC1=CC=C2OC=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C2=C1	REAL300019841345	0	36	-1.0	-38.03	331.89	7.08	-30.95
CC1=CC=C2OC=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C2=C1	REAL300019841345	1	36	-1.0	-38.03	331.93	7.08	-30.95
CC1=CC=C2C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)=COC2=C1	REAL300019841346	0	36	-1.0	-37.49	331.86	7.09	-30.40
CC1=CC=C2C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=COC2=C1	REAL300019841346	1	36	-1.0	-37.48	331.90	7.09	-30.39
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1C(F)(F)C12CC2	REAL300019841347	0	31	-1.0	-38.58	303.37	6.18	-32.40
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C(F)(F)C12CC2	REAL300019841347	1	31	-1.0	-38.55	303.41	6.18	-32.37
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)C1=CC=C(F)C=C1	REAL300019841348	0	33	-1.0	-35.11	316.66	6.85	-28.26
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)C1=CC=C(F)C=C1	REAL300019841348	1	33	-1.0	-35.11	316.70	6.85	-28.26
C=CCOC(=O)NCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841349	0	35	-1.0	-36.21	331.68	2.40	-33.81
C=CCOC(=O)NCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841349	1	35	-1.0	-36.23	331.73	2.40	-33.83
COCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)OC=C1	REAL300019841350	0	34	-1.0	-38.51	319.26	3.92	-34.59
COCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)OC=C1	REAL300019841350	1	34	-1.0	-38.49	319.30	3.93	-34.56
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN(CCCF)N=N1	REAL300019841351	0	35	-1.0	-47.43	333.57	4.18	-43.25
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN(CCCF)N=N1	REAL300019841351	1	35	-1.0	-47.52	333.53	4.16	-43.36
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2C=CCC(C2)C1	REAL300019841352	0	41	-1.0	-35.50	336.23	7.64	-27.86
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2C=CCC(C2)C1	REAL300019841352	1	41	-1.0	-35.48	336.28	7.64	-27.84
COC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841353	0	33	-1.0	-37.29	306.39	3.57	-33.72
COC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841353	1	33	-1.0	-37.32	306.35	3.56	-33.76
O=C(C=CC1CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841354	0	31	-1.0	-35.91	292.93	5.98	-29.93
O=C(C=CC1CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841354	1	31	-1.0	-35.71	291.95	5.94	-29.77
O=C(C[C@H]1COC(=O)N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841355	0	32	-1.0	-42.66	299.11	1.14	-41.52
O=C(C[C@H]1COC(=O)N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841355	1	32	-1.0	-42.64	299.16	1.14	-41.50
O=C(CC1=CC=NC=C1Cl)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841356	0	32	-1.0	-37.56	316.66	5.42	-32.14
O=C(CC1=CC=NC=C1Cl)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841356	1	32	-1.0	-35.28	315.72	5.40	-29.88
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CC=C(O)C=C2N1	REAL300019841357	0	35	-1.0	-37.20	327.55	3.18	-34.02
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CC=C(O)C=C2N1	REAL300019841357	1	35	-1.0	-37.15	327.59	3.19	-33.96
CN1C=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841358	0	30	-1.0	-43.57	284.21	4.56	-39.01
CN1C=CN=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841358	1	30	-1.0	-43.61	284.16	4.55	-39.06
O=C(COC1CCCOC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841359	0	38	-1.0	-36.25	333.96	4.26	-31.99
O=C(COC1CCCOC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841359	1	38	-1.0	-36.22	334.01	4.27	-31.95
CC(C)(C)C1(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841360	0	45	-1.0	-35.14	360.07	7.51	-27.63
CC(C)(C)C1(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841360	1	45	-1.0	-35.10	360.12	7.51	-27.59
CC(C)NC(=O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841361	0	33	-1.0	-39.70	306.79	2.26	-37.44
CC(C)NC(=O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841361	1	33	-1.0	-39.66	306.84	2.26	-37.40
CC1=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NN1C	REAL300019841362	0	39	-1.0	-39.83	350.12	5.71	-34.12
CC1=CC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NN1C	REAL300019841362	1	39	-1.0	-39.84	350.17	5.71	-34.13
CN1N=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1F	REAL300019841363	0	30	-1.0	-38.05	294.93	3.83	-34.22
CN1N=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1F	REAL300019841363	1	30	-1.0	-38.06	294.89	3.84	-34.22
CC1(C)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1(F)F	REAL300019841364	0	33	-1.0	-37.81	304.46	5.86	-31.95
CC1(C)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1(F)F	REAL300019841364	1	33	-1.0	-37.78	304.50	5.86	-31.92
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)CC1CC1	REAL300019841365	0	33	-1.0	-35.42	306.72	6.13	-29.29
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)CC1CC1	REAL300019841365	1	33	-1.0	-33.04	305.77	6.12	-26.92
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C2C(=O)NCC2=C1	REAL300019841366	0	35	-1.0	-41.51	324.04	3.56	-37.95
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C2C(=O)NCC2=C1	REAL300019841366	1	35	-1.0	-41.51	324.08	3.56	-37.95
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=C(Cl)C=N1	REAL300019841367	0	28	-1.0	-38.43	292.45	4.06	-34.37
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=C(Cl)C=N1	REAL300019841367	1	28	-1.0	-38.44	292.41	4.06	-34.38
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)S(N)(=O)=O	REAL300019841368	0	31	-1.0	-43.99	300.30	-1.11	-45.10
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)S(N)(=O)=O	REAL300019841368	1	31	-1.0	-44.00	300.35	-1.12	-45.12
CC1=CNC(C=CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841369	0	34	-1.0	-42.34	320.63	4.79	-37.55
CC1=CNC(C=CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841369	1	34	-1.0	-42.34	320.67	4.81	-37.53
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1C=CCC1	REAL300019841370	0	31	-1.0	-35.89	283.04	5.57	-30.32
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C=CCC1	REAL300019841370	1	31	-1.0	-35.88	283.08	5.57	-30.31
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(O)C1CCCCCC1	REAL300019841371	0	43	-1.0	-35.44	344.51	5.74	-29.70
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(O)C1CCCCCC1	REAL300019841371	1	43	-1.0	-35.44	344.55	5.74	-29.70
CCC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC1	REAL300019841372	0	39	-1.0	-34.40	332.77	7.21	-27.19
CCC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC1	REAL300019841372	1	39	-1.0	-34.36	332.83	7.22	-27.14
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2(C1)CCOCC2	REAL300019841373	0	39	-1.0	-36.62	341.26	5.69	-30.93
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2(C1)CCOCC2	REAL300019841373	1	39	-1.0	-36.59	341.30	5.69	-30.90
CC(=CC1CC1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841374	0	34	-1.0	-36.17	306.56	6.61	-29.56
CC(=CC1CC1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841374	1	34	-1.0	-36.13	306.61	6.61	-29.52
CCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N1C=CC=N1	REAL300019841375	0	36	-1.0	-35.81	318.31	5.61	-30.20
CCC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N1C=CC=N1	REAL300019841375	1	36	-1.0	-35.83	318.30	5.61	-30.22
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(CC(=O)N2)C1	REAL300019841376	0	35	-1.0	-38.01	320.11	2.12	-35.89
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(CC(=O)N2)C1	REAL300019841376	1	35	-1.0	-38.96	319.16	2.11	-36.85
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2=NN=NN2C1	REAL300019841377	0	35	-1.0	-38.43	316.58	3.81	-34.62
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2=NN=NN2C1	REAL300019841377	1	35	-1.0	-38.48	316.62	3.81	-34.67
O=C(CCOC1CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841378	0	34	-1.0	-35.02	312.30	4.58	-30.44
O=C(CCOC1CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841378	1	34	-1.0	-35.03	312.34	4.59	-30.44
COCN1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841379	0	34	-1.0	-37.64	316.16	2.40	-35.24
COCN1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841379	1	34	-1.0	-37.64	316.08	2.38	-35.26
CC1=C(C)NC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841380	0	39	-1.0	-39.01	348.87	5.35	-33.66
CC1=C(C)NC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841380	1	39	-1.0	-38.94	348.91	5.35	-33.59
O=C(CN1N=NN=C1C1CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841381	0	35	-1.0	-37.11	329.18	4.66	-32.45
O=C(CN1N=NN=C1C1CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841381	1	35	-1.0	-37.08	329.22	4.67	-32.41
NC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=NN1CCO	REAL300019841382	0	36	-1.0	-39.67	330.15	0.34	-39.33
NC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=NN1CCO	REAL300019841382	1	36	-1.0	-39.69	330.11	0.34	-39.35
CCN1C=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841383	0	33	-1.0	-43.32	324.87	5.25	-38.07
CCN1C=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841383	1	33	-1.0	-43.42	324.83	5.25	-38.17
CC1(C)OC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019841384	0	35	-1.0	-34.89	316.86	4.05	-30.84
CC1(C)OC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019841384	1	35	-1.0	-34.89	316.91	4.05	-30.84
O=C(C=CC1=CC=NC=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841385	0	32	-1.0	-39.39	308.67	5.56	-33.83
O=C(C=CC1=CC=NC=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841385	1	32	-1.0	-39.34	308.71	5.56	-33.78
CC(C)C1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CO1	REAL300019841386	0	35	-1.0	-41.09	326.09	2.79	-38.30
CC(C)C1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CO1	REAL300019841386	1	35	-1.0	-41.09	326.13	2.79	-38.30
CCC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCOCC1	REAL300019841387	0	43	-1.0	-35.22	348.14	5.61	-29.61
CCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCOCC1	REAL300019841387	1	43	-1.0	-35.27	348.19	5.61	-29.66
N#C[C@@]1(O)C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841388	0	32	-1.0	-36.04	304.41	1.93	-34.11
N#C[C@@]1(O)C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841388	1	32	-1.0	-36.06	304.45	1.93	-34.13
O=C(CCC1CCC(=O)NC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841389	0	40	-1.0	-39.19	345.87	3.73	-35.46
O=C(CCC1CCC(=O)NC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841389	1	40	-1.0	-39.19	345.92	3.73	-35.46
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)CC1CCCC1	REAL300019841390	0	39	-1.0	-33.04	338.80	7.19	-25.85
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)CC1CCCC1	REAL300019841390	1	39	-1.0	-33.02	338.85	7.19	-25.83
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(C1)CCCO2	REAL300019841391	0	38	-1.0	-37.35	328.99	5.09	-32.26
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(C1)CCCO2	REAL300019841391	1	38	-1.0	-37.32	329.03	5.09	-32.23
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C2CNC(=O)C2=C1	REAL300019841392	0	35	-1.0	-42.92	324.98	3.58	-39.34
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C2CNC(=O)C2=C1	REAL300019841392	1	35	-1.0	-42.87	325.03	3.59	-39.28
CCCC(O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841393	0	33	-1.0	-33.76	300.51	3.15	-30.61
CCCC(O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841393	1	33	-1.0	-33.72	300.55	3.16	-30.56
NC(=O)C1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841394	0	30	-1.0	-36.19	300.33	0.19	-36.00
NC(=O)C1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841394	1	30	-1.0	-36.25	300.28	0.18	-36.07
COC1C[C@@H]2CC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C[C@H]12	REAL300019841395	0	41	-1.0	-34.97	349.16	5.77	-29.20
COC1C[C@@H]2CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C[C@H]12	REAL300019841395	1	41	-1.0	-34.95	349.20	5.78	-29.17
CC1=CC2=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=CC=C2O1	REAL300019841396	0	36	-1.0	-39.40	328.83	7.23	-32.17
CC1=CC2=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=CC=C2O1	REAL300019841396	1	36	-1.0	-39.36	328.87	7.23	-32.13
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1CCC2=CC=CC=C21	REAL300019841397	0	37	-1.0	-36.60	328.71	7.79	-28.81
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1CCC2=CC=CC=C21	REAL300019841397	1	37	-1.0	-36.59	328.76	7.79	-28.80
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2C=CNC2=NC=C1	REAL300019841398	0	33	-1.0	-40.08	306.23	5.34	-34.74
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2C=CNC2=NC=C1	REAL300019841398	1	33	-1.0	-40.08	307.24	5.36	-34.72
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2(CCC2)CC1	REAL300019841399	0	43	-1.0	-34.32	351.61	7.96	-26.36
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2(CCC2)CC1	REAL300019841399	1	43	-1.0	-34.26	351.66	7.96	-26.30
COC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CC(C)=N1	REAL300019841400	0	36	-1.0	-38.03	331.81	3.43	-34.60
COC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CC(C)=N1	REAL300019841400	1	36	-1.0	-38.00	331.85	3.43	-34.57
COCCC(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841401	0	42	-1.0	-35.10	348.51	5.23	-29.87
COCCC(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841401	1	42	-1.0	-35.11	348.56	5.23	-29.88
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=COC(C(F)F)=N1	REAL300019841402	0	29	-1.0	-41.20	296.80	1.73	-39.47
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=COC(C(F)F)=N1	REAL300019841402	1	29	-1.0	-41.21	296.85	1.74	-39.47
CCSC(C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841403	0	33	-1.0	-36.07	310.40	5.68	-30.39
CCSC(C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841403	1	33	-1.0	-36.05	310.44	5.67	-30.38
O=C(CC1COCCO1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841404	0	35	-1.0	-37.06	311.41	3.62	-33.44
O=C(CC1COCCO1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841404	1	35	-1.0	-37.05	311.45	3.62	-33.43
CCC1(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841405	0	39	-1.0	-34.98	330.58	6.77	-28.21
CCC1(C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841405	1	39	-1.0	-34.89	330.63	6.77	-28.12
CC(F)(F)C(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841406	0	38	-1.0	-35.88	324.36	6.24	-29.64
CC(F)(F)C(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841406	1	38	-1.0	-35.86	324.41	6.24	-29.62
CC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)F	REAL300019841407	0	32	-1.0	-36.40	297.06	5.37	-31.03
CC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)F	REAL300019841407	1	32	-1.0	-36.37	297.10	5.38	-30.99
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841408	0	30	-1.0	-35.19	278.28	5.21	-29.98
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841408	1	30	-1.0	-35.15	278.32	5.21	-29.94
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C(C)C=N1	REAL300019841409	0	35	-1.0	-35.40	315.85	5.61	-29.79
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C(C)C=N1	REAL300019841409	1	35	-1.0	-35.38	315.90	5.61	-29.77
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2=CC=NN21	REAL300019841410	0	37	-1.0	-42.31	326.15	5.75	-36.56
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2=CC=NN21	REAL300019841410	1	37	-1.0	-42.26	326.19	5.75	-36.51
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C2CCCC2=C1	REAL300019841411	0	36	-1.0	-39.11	322.34	6.15	-32.96
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2CCCC2=C1	REAL300019841411	1	36	-1.0	-39.05	322.38	6.16	-32.89
CC1(C)CCOC1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841412	0	40	-1.0	-36.82	337.60	5.64	-31.18
CC1(C)CCOC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841412	1	40	-1.0	-36.73	337.65	5.64	-31.09
CC1=NN=C(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1C	REAL300019841413	0	38	-1.0	-44.58	343.22	6.39	-38.19
CC1=NN=C(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1C	REAL300019841413	1	38	-1.0	-44.55	343.25	6.39	-38.16
CCC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(C)=N1	REAL300019841414	0	37	-1.0	-35.02	331.34	5.31	-29.71
CCC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(C)=N1	REAL300019841414	1	37	-1.0	-35.00	331.38	5.32	-29.68
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300019841415	0	41	-1.0	-33.81	336.81	5.44	-28.37
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300019841415	1	41	-1.0	-33.79	336.86	5.44	-28.35
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NC2=NC=CN=C12	REAL300019841416	0	33	-1.0	-42.34	312.18	4.00	-38.34
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NC2=NC=CN=C12	REAL300019841416	1	33	-1.0	-42.34	311.17	3.98	-38.36
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300019841417	0	37	-1.0	-35.12	324.55	7.04	-28.08
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300019841417	1	37	-1.0	-35.12	324.59	7.04	-28.08
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NC(C)=N1	REAL300019841418	0	34	-1.0	-39.42	318.57	4.74	-34.68
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NC(C)=N1	REAL300019841418	1	34	-1.0	-39.36	318.61	4.74	-34.62
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=NS1	REAL300019841419	0	29	-1.0	-35.73	285.04	4.53	-31.20
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=NS1	REAL300019841419	1	29	-1.0	-35.72	285.08	4.53	-31.19
O=C(C=CC1=CN=CC=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841420	0	32	-1.0	-39.42	308.54	3.90	-35.52
O=C(C=CC1=CN=CC=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841420	1	32	-1.0	-39.40	308.58	3.91	-35.49
CCCC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CS1	REAL300019841421	0	35	-1.0	-41.97	334.97	5.33	-36.64
CCCC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CS1	REAL300019841421	1	35	-1.0	-41.91	335.01	5.34	-36.57
CC1=NN(C)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1Cl	REAL300019841422	0	33	-1.0	-32.05	323.60	4.99	-27.06
CC1=NN(C)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1Cl	REAL300019841422	1	33	-1.0	-32.03	323.66	5.00	-27.03
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019841423	0	40	-1.0	-35.79	350.65	6.22	-29.57
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019841423	1	40	-1.0	-35.75	351.65	6.24	-29.51
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C(F)C(F)=C1	REAL300019841424	0	29	-1.0	-32.48	289.52	4.28	-28.20
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C(F)C(F)=C1	REAL300019841424	1	29	-1.0	-32.48	289.48	4.28	-28.20
COC(=O)C(OC)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841425	0	33	-1.0	-36.24	312.81	4.36	-31.88
COC(=O)C(OC)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841425	1	33	-1.0	-36.16	312.86	4.36	-31.80
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841426	0	36	-1.0	-44.26	327.40	6.37	-37.89
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841426	1	36	-1.0	-44.26	327.45	6.38	-37.88
CC(C)(C)C1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CN1	REAL300019841427	0	39	-1.0	-45.53	348.16	5.21	-40.32
CC(C)(C)C1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CN1	REAL300019841427	1	39	-1.0	-45.45	348.20	5.22	-40.23
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CCC2=CC=CC=C21	REAL300019841428	0	37	-1.0	-37.81	324.58	8.00	-29.81
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CCC2=CC=CC=C21	REAL300019841428	1	37	-1.0	-37.77	324.61	8.00	-29.77
CCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CC1=O	REAL300019841429	0	36	-1.0	-39.68	328.77	5.81	-33.87
CCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CC1=O	REAL300019841429	1	36	-1.0	-39.61	328.82	5.81	-33.80
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C2CCOC2=C1	REAL300019841430	0	35	-1.0	-38.02	318.62	5.95	-32.07
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C2CCOC2=C1	REAL300019841430	1	35	-1.0	-38.04	318.66	5.95	-32.09
COC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1F	REAL300019841431	0	33	-1.0	-43.40	314.20	3.77	-39.63
COC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1F	REAL300019841431	1	33	-1.0	-43.41	314.16	3.77	-39.64
N#CCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841432	0	31	-1.0	-55.40	309.17	4.45	-50.95
N#CCN1C=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841432	1	31	-1.0	-55.44	309.13	4.46	-50.98
O=C(CC1C[C@@H]2COC[C@H]12)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841433	0	38	-1.0	-35.08	323.36	4.95	-30.13
O=C(CC1C[C@@H]2COC[C@H]12)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841433	1	38	-1.0	-35.13	323.41	4.95	-30.18
O=C(CN1N=NC(C2CC2)=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841434	0	35	-1.0	-38.33	330.13	4.30	-34.03
O=C(CN1N=NC(C2CC2)=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841434	1	35	-1.0	-38.33	330.18	4.31	-34.02
CCN1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841435	0	32	-1.0	-45.89	304.72	5.38	-40.51
CCN1C=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841435	1	32	-1.0	-45.90	304.68	5.38	-40.52
N#CCN1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841436	0	31	-1.0	-35.89	296.41	4.65	-31.24
N#CCN1N=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841436	1	31	-1.0	-35.87	296.37	4.64	-31.23
CC(C)CC(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841437	0	35	-1.0	-33.01	312.85	5.85	-27.16
CC(C)CC(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841437	1	35	-1.0	-32.99	312.90	5.86	-27.13
C=C(Cl)CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841438	0	30	-1.0	-33.91	298.75	5.64	-28.27
C=C(Cl)CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841438	1	30	-1.0	-33.90	298.80	5.64	-28.26
CC(CC1CCC1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841439	0	39	-1.0	-34.65	332.31	7.13	-27.52
CC(CC1CCC1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841439	1	39	-1.0	-34.58	332.35	7.12	-27.46
O=C(CCCC1CCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841440	0	39	-1.0	-34.53	337.63	7.40	-27.13
O=C(CCCC1CCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841440	1	39	-1.0	-34.46	337.67	7.40	-27.06
CC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1N	REAL300019841441	0	35	-1.0	-37.44	310.37	5.07	-32.37
CC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1N	REAL300019841441	1	35	-1.0	-37.45	309.40	5.06	-32.39
NC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841442	0	32	-1.0	-37.68	309.32	4.84	-32.84
NC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841442	1	32	-1.0	-37.65	309.36	4.84	-32.81
NC1=C(Cl)C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841443	0	32	-1.0	-34.25	306.98	4.88	-29.37
NC1=C(Cl)C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841443	1	32	-1.0	-34.39	306.01	4.87	-29.52
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841444	0	32	-1.0	-36.15	306.07	4.43	-31.72
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841444	1	32	-1.0	-36.53	305.93	4.43	-32.10
NC1=C(F)C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841445	0	32	-1.0	-34.33	298.06	4.41	-29.92
NC1=C(F)C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841445	1	32	-1.0	-34.56	297.09	4.39	-30.17
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841446	0	35	-1.0	-36.67	323.81	4.43	-32.24
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841446	1	35	-1.0	-36.04	324.88	4.47	-31.57
CC1=CC(F)=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1N	REAL300019841447	0	35	-1.0	-38.30	317.06	5.12	-33.18
CC1=CC(F)=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1N	REAL300019841447	1	35	-1.0	-38.25	317.11	5.12	-33.13
CC1=C(F)C=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1N	REAL300019841448	0	35	-1.0	-34.97	317.62	5.14	-29.83
CC1=C(F)C=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1N	REAL300019841448	1	35	-1.0	-34.94	317.67	5.14	-29.80
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C(N)C=C1F	REAL300019841449	0	35	-1.0	-34.55	319.26	5.02	-29.53
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C(N)C=C1F	REAL300019841449	1	35	-1.0	-34.53	319.30	5.02	-29.51
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841450	0	35	-1.0	-34.98	324.67	4.40	-30.58
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841450	1	35	-1.0	-34.95	324.71	4.40	-30.55
O=C(CC1=CC=C(O)C=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841451	0	33	-1.0	-38.69	310.87	2.27	-36.42
O=C(CC1=CC=C(O)C=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841451	1	33	-1.0	-38.67	310.90	2.27	-36.40
C[NH+](C)CCSCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841452	0	39	0.0	-56.73	349.90	6.45	-50.28
C[NH+](C)CCSCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841452	1	39	0.0	-56.74	349.95	6.44	-50.30
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C12CC(C1)CN2C1CC1	REAL300019841453	0	40	-1.0	-38.27	338.50	5.26	-33.01
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC(C1)CN2C1CC1	REAL300019841453	1	40	-1.0	-36.81	333.16	5.32	-31.49
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019841453	1	41	0.0	-43.81	336.71	7.17	-36.64
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300019841453	1	41	0.0	-41.77	340.04	7.63	-34.14
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)=CC1=CNC=N1	REAL300019841454	0	31	-1.0	-48.05	302.36	5.30	-42.75
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)=CC1=CNC=N1	REAL300019841454	1	31	-1.0	-48.06	302.40	5.31	-42.75
CC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NN1C	REAL300019841455	0	32	-1.0	-46.42	303.61	4.33	-42.09
CC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NN1C	REAL300019841455	1	32	-1.0	-46.42	303.65	4.34	-42.08
CCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019841456	0	34	-1.0	-35.92	312.30	5.17	-30.75
CCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019841456	1	34	-1.0	-35.92	312.34	5.18	-30.74
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1(O)CC1	REAL300019841457	0	28	-1.0	-35.24	266.22	1.49	-33.75
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1(O)CC1	REAL300019841457	1	28	-1.0	-35.23	266.26	1.49	-33.74
O=C(CC1CC(=O)NC(=O)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841458	0	36	-1.0	-40.67	326.45	2.32	-38.35
O=C(CC1CC(=O)NC(=O)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841458	1	36	-1.0	-40.66	326.50	2.34	-38.32
CN1NC(=O)C=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841459	0	31	-1.0	-40.18	292.73	1.88	-38.30
CN1NC(=O)C=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841459	1	31	-1.0	-40.13	292.77	1.88	-38.25
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NC2=NNC=C21	REAL300019841460	0	32	-1.0	-38.59	302.07	4.04	-34.55
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NC2=NNC=C21	REAL300019841460	1	32	-1.0	-38.60	302.12	4.05	-34.55
O=C(CC1=CC=CC(F)=C1O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841461	0	34	-1.0	-38.68	323.46	4.05	-34.63
O=C(CC1=CC=CC(F)=C1O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841461	1	34	-1.0	-38.61	323.50	4.06	-34.55
CN1C(=S)NN=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841462	0	30	-1.0	-35.76	300.11	4.79	-30.97
CN1C(=S)NN=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841462	1	30	-1.0	-35.59	299.14	4.77	-30.82
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841462	1	29	-2.0	-87.11	296.72	4.62	-82.49
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841462	1	29	-2.0	-86.03	295.72	4.59	-81.44
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CNN=C2S1	REAL300019841463	0	30	-1.0	-45.44	300.49	3.90	-41.54
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CNN=C2S1	REAL300019841463	1	30	-1.0	-45.41	300.53	3.90	-41.51
CCC1(C)C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841464	0	37	-1.0	-36.56	327.54	6.82	-29.74
CCC1(C)C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841464	1	37	-1.0	-36.55	326.57	6.79	-29.76
O=C(C[C@@H]1CCC[C@H]1O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841465	0	37	-1.0	-37.53	321.51	3.05	-34.48
O=C(C[C@@H]1CCC[C@H]1O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841465	1	37	-1.0	-37.48	321.56	3.05	-34.43
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=CN21	REAL300019841466	0	37	0.0	-49.76	334.59	7.79	-41.97
CC1=NC=C2C=CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=CN12	REAL300019841466	1	36	-1.0	-36.82	331.19	7.33	-29.49
C#CC[C@]1(O)C[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841467	0	36	-1.0	-40.17	327.90	4.76	-35.41
C#CC[C@]1(O)C[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841467	1	36	-1.0	-40.17	327.94	4.76	-35.41
O=C(CC1CCC(=O)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841468	0	35	-1.0	-38.79	313.97	5.51	-33.28
O=C(CC1CCC(=O)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841468	1	35	-1.0	-38.76	314.02	5.53	-33.23
CCC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N1C=CN=C1	REAL300019841469	0	36	-1.0	-35.07	327.53	6.68	-28.39
CCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N1C=CN=C1	REAL300019841469	1	36	-1.0	-35.06	327.62	6.71	-28.35
CCC(F)(F)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841470	0	32	-1.0	-37.73	299.22	5.46	-32.27
CCC(F)(F)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841470	1	32	-1.0	-37.74	299.27	5.46	-32.28
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1C[C@H](N2C=NN=C2)C1	REAL300019841471	0	36	-1.0	-40.43	324.48	7.65	-32.78
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1C[C@H](N2C=NN=C2)C1	REAL300019841471	1	36	-1.0	-40.49	324.43	7.65	-32.84
CCN1CCOCC1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841472	0	42	-1.0	-35.64	348.53	2.74	-32.90
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841472	1	43	0.0	-51.11	350.81	5.00	-46.11
CC[N@H+]1CCOCC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841472	1	43	0.0	-53.68	345.39	4.83	-48.85
CCN1CCOCC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841472	1	42	-1.0	-35.62	348.58	2.76	-32.86
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2OC=CC2=C1	REAL300019841473	0	32	-1.0	-40.24	304.16	3.37	-36.87
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C2OC=CC2=C1	REAL300019841473	1	32	-1.0	-40.24	304.12	3.36	-36.88
C=CCC(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841474	0	39	-1.0	-33.98	329.77	6.77	-27.21
C=CCC(C)(C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841474	1	39	-1.0	-34.04	329.82	6.78	-27.26
CCC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)OC	REAL300019841475	0	36	-1.0	-36.55	315.30	4.95	-31.60
CCC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)OC	REAL300019841475	1	36	-1.0	-36.56	315.36	4.97	-31.59
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841476	0	43	-1.0	-35.78	364.79	6.18	-29.60
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841476	1	43	-1.0	-35.77	364.83	6.18	-29.59
CCC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC1	REAL300019841477	0	42	-1.0	-34.27	346.30	7.63	-26.64
CCC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019841477	1	42	-1.0	-34.28	346.34	7.63	-26.65
CC1=NC=CC=C1C=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841478	0	36	-1.0	-37.03	329.02	6.00	-31.03
CC1=NC=CC=C1C=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841478	1	36	-1.0	-37.03	329.06	6.01	-31.02
CC1=CN=CC=C1C=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841479	0	36	-1.0	-36.73	329.17	6.03	-30.70
CC1=CN=CC=C1C=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841479	1	36	-1.0	-36.68	329.21	6.03	-30.65
COC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1N	REAL300019841480	0	36	-1.0	-37.10	320.95	3.72	-33.38
COC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1N	REAL300019841480	1	36	-1.0	-37.07	320.99	3.73	-33.34
CC(=CC1=CC=CS1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841481	0	34	-1.0	-36.88	317.04	6.67	-30.21
CC(=CC1=CC=CS1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841481	1	34	-1.0	-36.85	317.08	6.67	-30.18
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2CCC(C2)C1	REAL300019841482	0	40	-1.0	-33.74	304.64	7.03	-26.71
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2CCC(C2)C1	REAL300019841482	1	40	-1.0	-33.78	304.65	7.04	-26.74
CC1(C)C(=O)CC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841483	0	35	-1.0	-34.34	312.92	5.23	-29.11
CC1(C)C(=O)CC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841483	1	35	-1.0	-34.34	312.93	5.23	-29.11
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841484	0	36	-1.0	-34.95	318.77	6.53	-28.42
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841484	1	36	-1.0	-34.94	318.80	6.53	-28.41
CCCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)OC=N1	REAL300019841485	0	35	-1.0	-38.23	322.74	2.94	-35.29
CCCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)OC=N1	REAL300019841485	1	35	-1.0	-38.19	322.79	2.94	-35.25
CC1=CC=C(C)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841486	0	35	-1.0	-42.41	317.46	5.66	-36.75
CC1=CC=C(C)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841486	1	35	-1.0	-42.39	317.51	5.66	-36.73
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300019841487	0	36	-1.0	-40.00	325.37	4.46	-35.54
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300019841487	1	36	-1.0	-40.00	325.33	4.45	-35.55
C=CC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCOCC1	REAL300019841488	0	41	-1.0	-34.97	335.53	5.21	-29.76
C=CC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCOCC1	REAL300019841488	1	41	-1.0	-34.97	335.58	5.21	-29.76
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2C=CNC2=CN=C1	REAL300019841489	0	33	-1.0	-44.31	305.60	4.29	-40.02
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2C=CNC2=CN=C1	REAL300019841489	1	33	-1.0	-44.36	305.64	4.29	-40.07
CN1N=NC=C1C(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841490	0	32	-1.0	-35.70	311.37	3.15	-32.55
CN1N=NC=C1C(F)(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841490	1	32	-1.0	-35.70	311.32	3.15	-32.55
O=CC1=CC=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019841491	0	33	-1.0	-38.07	315.88	4.07	-34.00
O=CC1=CC=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019841491	1	33	-1.0	-39.66	314.93	4.05	-35.61
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CN2C=NN=C12	REAL300019841492	0	32	-1.0	-58.24	302.32	7.68	-50.56
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CN2C=NN=C12	REAL300019841492	1	32	-1.0	-58.26	302.28	7.68	-50.58
CCCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019841493	0	37	-1.0	-35.61	333.81	5.96	-29.65
CCCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019841493	1	37	-1.0	-35.85	334.81	5.98	-29.87
N#CC1CCCC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841494	0	40	-1.0	-43.36	342.67	7.02	-36.34
N#CC1CCCC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841494	1	40	-1.0	-43.34	342.72	7.02	-36.32
O=C(CCC1=NC=C(F)C=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841495	0	34	-1.0	-36.53	324.22	4.82	-31.71
O=C(CCC1=NC=C(F)C=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841495	1	34	-1.0	-36.53	324.27	4.82	-31.71
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CC=CCC1	REAL300019841496	0	34	-1.0	-34.45	300.27	6.21	-28.24
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CC=CCC1	REAL300019841496	1	34	-1.0	-34.47	300.31	6.21	-28.26
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=CC2=C1CCCC2	REAL300019841497	0	39	-1.0	-38.63	334.91	6.80	-31.83
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=CC2=C1CCCC2	REAL300019841497	1	39	-1.0	-38.62	334.96	6.80	-31.82
CC1=CC=CN2N=CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=C12	REAL300019841498	0	36	-1.0	-43.40	322.55	6.48	-36.92
CC1=CC=CN2N=CC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)=C12	REAL300019841498	1	36	-1.0	-43.53	323.56	6.51	-37.02
O=C(CC1CC(=O)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841499	0	32	-1.0	-37.37	297.04	4.92	-32.45
O=C(CC1CC(=O)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841499	1	32	-1.0	-37.36	297.08	4.92	-32.44
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=CN=NN21	REAL300019841500	0	32	-1.0	-54.82	300.96	4.78	-50.04
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=CN=NN21	REAL300019841500	1	32	-1.0	-54.89	300.91	4.76	-50.13
CC1=C2N=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=CN2N=C1	REAL300019841501	0	35	-1.0	-42.37	328.32	5.71	-36.66
CC1=C2N=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=CN2N=C1	REAL300019841501	1	35	-1.0	-42.20	329.28	5.74	-36.46
CN(C)C(=O)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841502	0	30	-1.0	-40.74	280.50	2.60	-38.14
CN(C)C(=O)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841502	1	30	-1.0	-40.71	280.55	2.60	-38.11
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)C=N1	REAL300019841503	0	32	-1.0	-40.27	312.37	5.21	-35.06
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)C=N1	REAL300019841503	1	32	-1.0	-40.29	312.32	5.20	-35.09
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300019841504	0	35	-1.0	-42.77	320.98	5.13	-37.64
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300019841504	1	35	-1.0	-42.77	321.03	5.12	-37.65
CC1=CC=CN=C1C=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841505	0	36	-1.0	-40.56	331.32	6.28	-34.28
CC1=CC=CN=C1C=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841505	1	36	-1.0	-40.48	331.37	6.28	-34.20
CCC1=CSC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841506	0	33	-1.0	-36.39	310.53	6.42	-29.97
CCC1=CSC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841506	1	33	-1.0	-36.35	310.58	6.42	-29.93
CC(C)C1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841507	0	39	-1.0	-35.23	336.03	7.03	-28.20
CC(C)C1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841507	1	39	-1.0	-35.18	336.07	7.04	-28.14
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NNC1=O	REAL300019841508	0	32	-1.0	-37.14	304.67	2.27	-34.87
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NNC1=O	REAL300019841508	1	32	-1.0	-37.09	303.70	2.25	-34.84
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2C=CC=CN2N=N1	REAL300019841509	0	32	-1.0	-51.19	305.45	4.44	-46.75
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2C=CC=CN2N=N1	REAL300019841509	1	32	-1.0	-51.22	306.44	4.46	-46.76
CC1CCC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1C	REAL300019841510	0	45	-1.0	-34.37	353.86	7.76	-26.61
CC1CCC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1C	REAL300019841510	1	45	-1.0	-34.37	353.90	7.76	-26.61
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=CC2=NC=CC=C21	REAL300019841511	0	34	-1.0	-41.81	316.38	4.72	-37.09
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=CC2=NC=CC=C21	REAL300019841511	1	34	-1.0	-41.74	316.34	4.73	-37.01
CC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=N1	REAL300019841512	0	31	-1.0	-43.55	297.28	4.19	-39.36
CC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=N1	REAL300019841512	1	31	-1.0	-43.48	297.33	4.19	-39.29
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN(CC(F)F)N=C1	REAL300019841513	0	33	-1.0	-38.92	322.39	4.99	-33.93
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN(CC(F)F)N=C1	REAL300019841513	1	33	-1.0	-38.90	322.35	4.98	-33.92
CN1C=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1=O	REAL300019841514	0	32	-1.0	-52.74	299.59	4.88	-47.86
CN1C=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1=O	REAL300019841514	1	32	-1.0	-52.75	299.52	4.88	-47.87
CC1=CC=C(C=CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1	REAL300019841515	0	40	-1.0	-36.48	358.86	8.74	-27.74
CC1=CC=C(C=CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1	REAL300019841515	1	40	-1.0	-36.49	358.90	8.74	-27.75
O=C(C=CC1=CC=CC=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841516	0	34	-1.0	-36.93	316.31	7.25	-29.68
O=C(C=CC1=CC=CC=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841516	1	34	-1.0	-36.92	316.35	7.26	-29.66
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCN2C=NN=C12	REAL300019841517	0	36	-1.0	-49.31	319.85	6.97	-42.34
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCN2C=NN=C12	REAL300019841517	1	36	-1.0	-49.29	319.90	6.97	-42.32
CC1(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019841518	0	32	-1.0	-35.71	300.09	0.40	-35.31
CC1(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019841518	1	32	-1.0	-35.74	300.14	0.40	-35.34
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)(F)C1=CN=CC=N1	REAL300019841519	0	31	-1.0	-39.84	304.74	3.84	-36.00
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL300019841519	1	31	-1.0	-39.82	304.70	3.84	-35.98
CC(C)(C)OC(=O)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841520	0	38	-1.0	-38.31	334.28	6.61	-31.70
CC(C)(C)OC(=O)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841520	1	38	-1.0	-38.24	334.33	6.61	-31.63
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CN=CNC2=N1	REAL300019841521	0	32	-1.0	-52.39	307.46	5.27	-47.12
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CN=CNC2=N1	REAL300019841521	1	32	-1.0	-52.42	307.50	5.27	-47.15
CC(C)(C)C(=O)CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841522	0	40	-1.0	-37.75	349.49	6.31	-31.44
CC(C)(C)C(=O)CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841522	1	40	-1.0	-37.76	349.53	6.31	-31.45
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=CC(F)=N1	REAL300019841523	0	28	-1.0	-39.02	281.27	2.47	-36.55
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=CC(F)=N1	REAL300019841523	1	28	-1.0	-39.05	281.23	2.47	-36.58
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841524	0	33	-1.0	-32.74	315.06	5.27	-27.47
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841524	1	33	-1.0	-33.36	314.37	5.26	-28.10
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(C2CC2)=CC=N1	REAL300019841525	0	36	-1.0	-40.85	329.45	6.47	-34.38
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(C2CC2)=CC=N1	REAL300019841525	1	36	-1.0	-40.82	329.49	6.47	-34.35
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019841526	0	38	-1.0	-37.12	344.28	3.68	-33.44
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019841526	1	38	-1.0	-37.17	344.23	3.66	-33.51
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C1	REAL300019841527	0	35	-1.0	-37.22	323.35	7.85	-29.37
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C1	REAL300019841527	1	35	-1.0	-37.13	323.40	7.85	-29.28
CC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841528	0	32	-1.0	-41.54	301.51	5.04	-36.50
CC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841528	1	32	-1.0	-41.50	301.55	5.04	-36.46
CC1(F)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841529	0	33	-1.0	-35.93	299.39	5.69	-30.24
CC1(F)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841529	1	33	-1.0	-35.97	299.44	5.69	-30.28
CCSCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841530	0	30	-1.0	-35.47	291.95	5.10	-30.37
CCSCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841530	1	30	-1.0	-35.50	292.00	5.11	-30.39
C=CCCC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841531	0	45	-1.0	-35.77	373.74	8.71	-27.06
C=CCCC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841531	1	45	-1.0	-35.80	373.80	8.70	-27.10
C=CCC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841532	0	42	-1.0	-34.81	354.45	7.64	-27.17
C=CCC(CC(C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841532	1	42	-1.0	-34.78	354.50	7.65	-27.13
CC(C)(C)C1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NO1	REAL300019841533	0	40	-1.0	-38.42	347.48	5.16	-33.26
CC(C)(C)C1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NO1	REAL300019841533	1	40	-1.0	-38.34	347.52	5.17	-33.17
CC1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019841534	0	34	-1.0	-36.88	303.80	5.02	-31.86
CC1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019841534	1	34	-1.0	-36.85	303.84	5.03	-31.82
CC1=C2C=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)N=CC2=NN1	REAL300019841535	0	35	-1.0	-46.35	327.10	3.69	-42.66
CC1=C2C=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)N=CC2=NN1	REAL300019841535	1	35	-1.0	-46.35	327.14	3.70	-42.65
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2N=CC=CN12	REAL300019841536	0	32	-1.0	-40.38	301.68	7.06	-33.32
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C2N=CC=CN12	REAL300019841536	1	32	-1.0	-40.54	301.73	7.07	-33.47
C[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019841537	0	36	-1.0	-34.56	329.02	7.36	-27.20
C[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019841537	1	36	-1.0	-34.51	329.06	7.36	-27.15
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NN1CC1CC1	REAL300019841538	0	37	-1.0	-35.26	332.47	6.22	-29.04
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NN1CC1CC1	REAL300019841538	1	37	-1.0	-35.32	332.40	6.20	-29.12
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC(F)(F)CO1	REAL300019841539	0	34	-1.0	-35.77	313.17	5.24	-30.53
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC(F)(F)CO1	REAL300019841539	1	34	-1.0	-35.82	313.21	5.25	-30.57
C[C@@H]1C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C[C@H](C)O1	REAL300019841540	0	40	-1.0	-34.16	341.41	5.43	-28.73
C[C@@H]1C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C[C@H](C)O1	REAL300019841540	1	40	-1.0	-34.17	341.45	5.43	-28.74
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(CC2F)C1	REAL300019841541	0	34	-1.0	-34.83	312.85	6.52	-28.31
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(CC2F)C1	REAL300019841541	1	34	-1.0	-34.80	312.89	6.53	-28.27
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NN2CC(F)CC2=C1	REAL300019841542	0	34	-1.0	-42.99	318.72	4.80	-38.19
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NN2CC(F)CC2=C1	REAL300019841542	1	34	-1.0	-42.97	318.76	4.79	-38.18
CC1=CC2=C(C=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)N2)O1	REAL300019841543	0	34	-1.0	-36.99	317.89	4.89	-32.10
CC1=CC2=C(C=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)N2)O1	REAL300019841543	1	34	-1.0	-36.99	317.93	4.90	-32.09
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841544	0	39	-1.0	-35.89	344.55	7.96	-27.93
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841544	1	39	-1.0	-35.86	344.61	7.97	-27.89
COC1=CC(C)=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019841545	0	36	-1.0	-36.45	325.97	3.52	-32.93
COC1=CC(C)=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019841545	1	36	-1.0	-36.21	324.99	3.48	-32.73
O=C(C[C@@H]1CC=CCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841546	0	37	-1.0	-34.90	318.24	6.94	-27.96
O=C(C[C@@H]1CC=CCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841546	1	37	-1.0	-34.93	318.29	6.95	-27.98
CCC1=CNC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841547	0	34	-1.0	-35.85	313.26	5.34	-30.51
CCC1=CNC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841547	1	34	-1.0	-35.84	313.30	5.34	-30.50
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C2CCCCC2=CN1	REAL300019841548	0	38	-1.0	-36.87	330.65	6.36	-30.51
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C2CCCCC2=CN1	REAL300019841548	1	38	-1.0	-36.85	330.70	6.38	-30.47
COCCOCC=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841549	0	38	-1.0	-38.98	349.81	3.67	-35.31
COCCOCC=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841549	1	38	-1.0	-38.94	349.86	3.68	-35.26
O=C(C=CC1CCCO1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841550	0	35	-1.0	-37.40	316.53	4.62	-32.78
O=C(C=CC1CCCO1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841550	1	35	-1.0	-37.34	316.57	4.63	-32.71
CC1=CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841551	0	37	-1.0	-34.71	321.09	6.85	-27.86
CC1=CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841551	1	37	-1.0	-34.74	321.13	6.85	-27.89
CC[C@H](CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(C)C	REAL300019841552	0	41	-1.0	-34.48	335.33	6.78	-27.70
CC[C@H](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(C)C	REAL300019841552	1	41	-1.0	-34.47	335.37	6.76	-27.71
CC1=C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)SC=C1	REAL300019841553	0	33	-1.0	-35.36	316.81	6.46	-28.90
CC1=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)SC=C1	REAL300019841553	1	33	-1.0	-35.36	316.86	6.47	-28.89
O=C(CC12CC(C1)C2)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841554	0	34	-1.0	-35.11	301.17	6.48	-28.63
O=C(CC12CC(C1)C2)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841554	1	34	-1.0	-35.10	301.21	6.48	-28.62
CCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N1C=NC=N1	REAL300019841555	0	35	-1.0	-35.55	315.52	6.70	-28.85
CCC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)N1C=NC=N1	REAL300019841555	1	35	-1.0	-35.54	315.39	6.68	-28.86
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(C)=C1C	REAL300019841556	0	39	-1.0	-41.16	349.01	5.81	-35.35
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(C)=C1C	REAL300019841556	1	39	-1.0	-41.13	349.05	5.82	-35.31
CC(=O)C1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CS1	REAL300019841557	0	31	-1.0	-51.74	314.88	3.67	-48.07
CC(=O)C1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CS1	REAL300019841557	1	31	-1.0	-51.77	314.92	3.67	-48.10
CCC=CC=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841558	0	34	-1.0	-36.36	317.23	6.60	-29.76
CCC=CC=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841558	1	34	-1.0	-36.33	317.28	6.60	-29.73
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN2N=CC=C2C=C1	REAL300019841559	0	33	-1.0	-36.73	309.94	5.88	-30.85
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN2N=CC=C2C=C1	REAL300019841559	1	33	-1.0	-36.69	309.90	5.87	-30.82
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2=NN=CN21	REAL300019841560	0	36	-1.0	-39.63	316.33	6.91	-32.72
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2=NN=CN21	REAL300019841560	1	36	-1.0	-39.60	316.37	6.91	-32.69
CC1(C)CCCC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019841561	0	43	-1.0	-38.20	356.26	6.77	-31.43
CC1(C)CCCC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019841561	1	43	-1.0	-38.17	356.29	6.77	-31.40
COC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CN=C1	REAL300019841562	0	36	-1.0	-35.91	333.88	5.04	-30.87
COC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CN=C1	REAL300019841562	1	36	-1.0	-35.95	333.83	5.04	-30.91
CCN1C(=O)CCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841563	0	37	-1.0	-37.11	332.30	5.21	-31.90
CCN1C(=O)CCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841563	1	37	-1.0	-37.15	332.35	5.22	-31.93
O=C(CC1CC=CC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841564	0	34	-1.0	-35.16	303.43	6.31	-28.85
O=C(CC1CC=CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841564	1	34	-1.0	-34.56	302.48	6.29	-28.27
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=NC2=C1CCC2	REAL300019841565	0	36	-1.0	-36.66	320.64	6.17	-30.49
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=NC2=C1CCC2	REAL300019841565	1	36	-1.0	-36.62	320.68	6.17	-30.45
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841566	0	36	-1.0	-40.67	332.46	4.34	-36.33
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841566	1	36	-1.0	-40.66	332.50	4.34	-36.32
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CN1	REAL300019841567	0	31	-1.0	-38.74	290.96	4.50	-34.24
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CN1	REAL300019841567	1	31	-1.0	-38.75	291.00	4.50	-34.25
CCC1=C(C)SC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841568	0	36	-1.0	-37.05	331.57	7.17	-29.88
CCC1=C(C)SC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841568	1	36	-1.0	-36.99	331.61	7.18	-29.81
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCOC(=O)CC1	REAL300019841569	0	36	-1.0	-37.19	316.21	5.49	-31.70
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCOC(=O)CC1	REAL300019841569	1	36	-1.0	-37.15	316.25	5.49	-31.66
O=C(CCCCCF)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841570	0	35	-1.0	-35.83	318.51	6.26	-29.57
O=C(CCCCCF)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841570	1	35	-1.0	-35.80	318.55	6.26	-29.54
CCN1N=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1C	REAL300019841571	0	35	-1.0	-45.64	320.31	3.74	-41.90
CCN1N=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1C	REAL300019841571	1	35	-1.0	-45.64	320.35	3.76	-41.88
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC(=O)CO1	REAL300019841572	0	30	-1.0	-36.38	286.50	3.31	-33.07
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC(=O)CO1	REAL300019841572	1	30	-1.0	-36.33	286.55	3.31	-33.02
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CN(C)C1=O	REAL300019841573	0	36	-1.0	-39.25	327.23	5.55	-33.70
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CN(C)C1=O	REAL300019841573	1	36	-1.0	-39.27	327.27	5.56	-33.71
CC1=NN=NN1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841574	0	31	-1.0	-41.78	298.25	3.19	-38.59
CC1=NN=NN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841574	1	31	-1.0	-38.15	297.30	3.16	-34.99
O=C(CC1CC(C(F)F)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841575	0	36	-1.0	-35.38	329.14	6.74	-28.64
O=C(CC1CC(C(F)F)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841575	1	36	-1.0	-35.43	329.19	6.76	-28.67
CC1=CC(Cl)=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)S1	REAL300019841576	0	30	-1.0	-36.46	310.47	6.41	-30.05
CC1=CC(Cl)=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)S1	REAL300019841576	1	30	-1.0	-36.35	310.50	6.41	-29.94
CN1N=NC=C1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841577	0	32	-1.0	-38.09	301.77	3.09	-35.00
CN1N=NC=C1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841577	1	32	-1.0	-39.60	300.82	3.07	-36.53
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@]12C[C@H]1[C@H](F)C2	REAL300019841578	0	31	-1.0	-36.01	292.96	5.85	-30.16
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@]12C[C@H]1[C@H](F)C2	REAL300019841578	1	31	-1.0	-36.01	293.00	5.85	-30.16
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1C(=O)NC2	REAL300019841579	0	35	-1.0	-49.16	319.37	4.96	-44.20
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1C(=O)NC2	REAL300019841579	1	35	-1.0	-49.13	319.41	4.96	-44.17
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(CC2CC2)C=C1	REAL300019841580	0	40	-1.0	-36.74	356.27	9.07	-27.67
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(CC2CC2)C=C1	REAL300019841580	1	40	-1.0	-36.69	356.31	9.07	-27.62
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=C(F)C=N1	REAL300019841581	0	28	-1.0	-38.45	282.08	3.64	-34.81
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=C(F)C=N1	REAL300019841581	1	28	-1.0	-38.53	282.04	3.64	-34.89
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN=C2CCCCC2=C1	REAL300019841582	0	39	-1.0	-38.28	339.78	6.74	-31.54
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN=C2CCCCC2=C1	REAL300019841582	1	39	-1.0	-38.24	339.82	6.75	-31.49
CC1(C)COCCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841583	0	40	-1.0	-34.00	327.07	4.96	-29.04
CC1(C)COCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841583	1	40	-1.0	-33.98	327.11	4.96	-29.02
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=NN=CN21	REAL300019841584	0	32	-1.0	-44.16	300.37	7.03	-37.13
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=NN=CN21	REAL300019841584	1	32	-1.0	-44.21	300.36	7.03	-37.18
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841585	0	33	-1.0	-36.57	316.36	4.87	-31.70
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841585	1	33	-1.0	-36.60	316.23	4.87	-31.73
CC1(C)CCCOC1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841586	0	43	-1.0	-36.93	350.10	6.39	-30.54
CC1(C)CCCOC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841586	1	43	-1.0	-36.90	350.14	6.39	-30.51
CC1(C)OCC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019841587	0	41	-1.0	-37.25	359.16	4.93	-32.32
CC1(C)OCC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019841587	1	41	-1.0	-37.30	359.21	4.94	-32.36
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019841588	0	31	-1.0	-38.80	299.71	2.81	-35.99
CC1=NN(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019841588	1	31	-1.0	-38.80	299.76	2.83	-35.97
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C2C=COC2=C1	REAL300019841589	0	33	-1.0	-38.32	308.96	6.42	-31.90
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C2C=COC2=C1	REAL300019841589	1	33	-1.0	-38.32	309.97	6.43	-31.89
C#CC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841590	0	32	-1.0	-37.48	309.05	7.27	-30.21
C#CC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841590	1	32	-1.0	-37.47	309.09	7.27	-30.20
CC1=C(C)NC(=O)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841591	0	36	-1.0	-53.09	322.75	4.47	-48.62
CC1=C(C)NC(=O)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841591	1	36	-1.0	-53.02	322.80	4.47	-48.55
CCN1N=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1C	REAL300019841592	0	36	-1.0	-44.30	330.37	5.25	-39.05
CCN1N=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1C	REAL300019841592	1	36	-1.0	-44.30	330.41	5.24	-39.06
CCCN1C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841593	0	37	-1.0	-39.24	330.71	7.18	-32.06
CCCN1C=CC=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841593	1	37	-1.0	-39.19	330.80	7.16	-32.03
O=C(CC1CC2CC2C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841594	0	37	-1.0	-34.72	319.31	7.09	-27.63
O=C(CC1CC2CC2C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841594	1	37	-1.0	-34.74	319.35	7.11	-27.63
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CCCOC1	REAL300019841595	0	32	-1.0	-36.97	290.06	3.94	-33.03
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CCCOC1	REAL300019841595	1	32	-1.0	-37.73	289.08	3.91	-33.82
CCC1=NON=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841596	0	31	-1.0	-35.99	297.66	4.07	-31.92
CCC1=NON=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841596	1	31	-1.0	-35.98	297.70	4.08	-31.90
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN2N=NC=C2C=C1	REAL300019841597	0	32	-1.0	-35.81	303.65	4.58	-31.23
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN2N=NC=C2C=C1	REAL300019841597	1	32	-1.0	-35.81	303.60	4.57	-31.24
O=C(CCNC1=CN=CN=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841598	0	36	-1.0	-36.89	332.39	3.76	-33.13
O=C(CCNC1=CN=CN=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841598	1	36	-1.0	-36.86	332.34	3.75	-33.11
O=C(CC1CC2(CCC2)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841599	0	40	-1.0	-34.70	344.18	7.69	-27.01
O=C(CC1CC2(CCC2)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841599	1	40	-1.0	-34.66	344.22	7.71	-26.95
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841600	0	37	-1.0	-37.28	335.69	5.21	-32.07
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841600	1	37	-1.0	-37.26	335.74	5.22	-32.04
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NOC(CF)=C1	REAL300019841601	0	29	-1.0	-41.47	290.02	4.33	-37.14
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NOC(CF)=C1	REAL300019841601	1	29	-1.0	-41.44	290.06	4.33	-37.11
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2=CC=NN2C1	REAL300019841602	0	37	-1.0	-38.06	327.99	5.34	-32.72
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2=CC=NN2C1	REAL300019841602	1	37	-1.0	-37.97	328.04	5.34	-32.63
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=NON=C21	REAL300019841603	0	31	-1.0	-38.37	298.10	4.92	-33.45
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=NON=C21	REAL300019841603	1	31	-1.0	-38.38	298.05	4.92	-33.46
CN1C=C(OCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019841604	0	34	-1.0	-39.65	321.19	4.36	-35.29
CN1C=C(OCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019841604	1	34	-1.0	-39.67	321.14	4.36	-35.31
CCC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841605	0	32	-1.0	-37.98	304.92	4.85	-33.13
CCC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841605	1	32	-1.0	-37.94	304.97	4.86	-33.08
O=C(C=CC1=CC=NC=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841606	0	33	-1.0	-36.82	311.35	5.51	-31.31
O=C(C=CC1=CC=NC=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841606	1	33	-1.0	-36.78	311.39	5.51	-31.27
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC(=O)CC12CCC2	REAL300019841607	0	39	-1.0	-34.83	335.50	6.59	-28.24
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC(=O)CC12CCC2	REAL300019841607	1	39	-1.0	-34.76	335.54	6.59	-28.17
CC1=CNC2=NC=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=C12	REAL300019841608	0	36	-1.0	-40.92	330.07	6.03	-34.89
CC1=CNC2=NC=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=C12	REAL300019841608	1	36	-1.0	-40.88	330.11	6.04	-34.84
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2=CC=CN=C2C1	REAL300019841609	0	36	-1.0	-37.44	323.57	6.02	-31.42
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2=CC=CN=C2C1	REAL300019841609	1	36	-1.0	-37.45	323.61	6.02	-31.43
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC(C2CC2)=NO1	REAL300019841610	0	35	-1.0	-38.70	323.04	5.92	-32.78
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC(C2CC2)=NO1	REAL300019841610	1	35	-1.0	-38.74	323.09	5.93	-32.81
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1COC(=O)O1	REAL300019841611	0	28	-1.0	-37.00	275.02	4.08	-32.92
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1COC(=O)O1	REAL300019841611	1	28	-1.0	-37.00	275.06	4.08	-32.92
CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCOC1	REAL300019841612	0	37	-1.0	-34.76	318.18	4.35	-30.41
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCOC1	REAL300019841612	1	37	-1.0	-34.77	318.23	4.35	-30.42
CO[C@H](C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841613	0	30	-1.0	-35.98	280.24	3.75	-32.23
CO[C@H](C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841613	1	30	-1.0	-35.96	280.29	3.75	-32.21
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300019841614	0	34	-1.0	-35.01	300.28	6.31	-28.70
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300019841614	1	34	-1.0	-34.98	300.32	6.31	-28.67
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1COC2COCC21	REAL300019841615	0	36	-1.0	-34.25	315.36	2.43	-31.82
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1COC2COCC21	REAL300019841615	1	36	-1.0	-34.27	315.40	2.43	-31.84
CC1CCOC1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841616	0	37	-1.0	-36.56	323.04	5.24	-31.32
CC1CCOC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841616	1	37	-1.0	-36.58	323.09	5.24	-31.34
COC1CC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1(C)C	REAL300019841617	0	43	-1.0	-35.65	363.60	5.90	-29.75
COC1CC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1(C)C	REAL300019841617	1	43	-1.0	-35.66	363.65	5.90	-29.76
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2(CC2(F)F)C1	REAL300019841618	0	37	-1.0	-36.23	335.17	7.14	-29.09
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2(CC2(F)F)C1	REAL300019841618	1	37	-1.0	-36.20	335.22	7.16	-29.04
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2C1C2(F)F	REAL300019841619	0	37	-1.0	-35.04	324.48	7.02	-28.02
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2C1C2(F)F	REAL300019841619	1	37	-1.0	-35.02	324.53	7.02	-28.00
C=C1CC2(C1)CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C2	REAL300019841620	0	38	-1.0	-34.59	335.49	7.42	-27.17
C=C1CC2(C1)CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C2	REAL300019841620	1	38	-1.0	-34.59	335.53	7.43	-27.16
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2C1C2(F)F	REAL300019841621	0	34	-1.0	-36.43	312.65	6.50	-29.93
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2C1C2(F)F	REAL300019841621	1	34	-1.0	-36.42	312.69	6.50	-29.92
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841622	0	33	-1.0	-35.32	324.87	5.14	-30.18
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841622	1	33	-1.0	-35.34	324.92	5.15	-30.19
CN1N=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=CC=C21	REAL300019841623	0	35	-1.0	-46.92	324.62	4.72	-42.20
CN1N=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=CC=C21	REAL300019841623	1	35	-1.0	-46.93	324.57	4.71	-42.22
O=C(CC12CCC(CC1)C2)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841624	0	40	-1.0	-34.90	330.74	7.35	-27.55
O=C(CC12CCC(CC1)C2)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841624	1	40	-1.0	-34.86	330.78	7.36	-27.50
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC=CC2=CC=CC=C21	REAL300019841625	0	38	-1.0	-36.38	337.56	8.30	-28.08
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC=CC2=CC=CC=C21	REAL300019841625	1	38	-1.0	-36.34	337.61	8.30	-28.04
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019841626	0	31	-1.0	-36.09	290.82	4.44	-31.65
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019841626	1	31	-1.0	-36.07	290.86	4.44	-31.63
CCCOCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841627	0	39	-1.0	-35.96	345.94	5.40	-30.56
CCCOCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841627	1	39	-1.0	-35.89	345.99	5.40	-30.49
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN2C=NN=C2C=N1	REAL300019841628	0	31	-1.0	-41.13	300.94	5.67	-35.46
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CN2C=NN=C2C=N1	REAL300019841628	1	31	-1.0	-41.11	300.89	5.65	-35.46
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841629	0	31	-1.0	-42.29	311.36	4.02	-38.27
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841629	1	31	-1.0	-42.32	311.32	4.01	-38.31
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=NC=CC=C12	REAL300019841630	0	35	-1.0	-38.00	318.97	6.43	-31.57
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL300019841630	1	35	-1.0	-37.15	317.31	6.43	-30.72
CC(C)C(C)C(C)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841631	0	44	-1.0	-34.52	351.63	7.27	-27.25
CC(C)C(C)C(C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841631	1	44	-1.0	-34.49	351.68	7.27	-27.22
COC1CC2(C1)CC(C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C2	REAL300019841632	0	41	-1.0	-36.55	356.42	5.89	-30.66
COC1CC2(C1)CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C2	REAL300019841632	1	41	-1.0	-36.55	356.47	5.90	-30.65
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C[C@@H]12	REAL300019841633	0	35	-1.0	-39.16	319.80	4.75	-34.41
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C[C@@H]12	REAL300019841633	1	35	-1.0	-39.14	319.84	4.75	-34.39
CC1(C)CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CO1	REAL300019841634	0	40	-1.0	-35.35	333.65	5.09	-30.26
CC1(C)CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CO1	REAL300019841634	1	40	-1.0	-35.37	333.70	5.08	-30.29
O=C(CC1CCCNC(=O)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841635	0	40	-1.0	-44.00	339.63	3.61	-40.39
O=C(CC1CCCNC(=O)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841635	1	40	-1.0	-43.98	339.68	3.62	-40.36
CN1C=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=CC=C21	REAL300019841636	0	36	-1.0	-47.49	330.69	7.58	-39.91
CN1C=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=CC=C21	REAL300019841636	1	36	-1.0	-47.56	329.68	7.56	-40.00
CC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCCO1	REAL300019841637	0	37	-1.0	-37.88	317.56	5.42	-32.46
CC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCCO1	REAL300019841637	1	37	-1.0	-37.89	317.60	5.42	-32.47
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC2=CC=CNC2=C1	REAL300019841638	0	33	-1.0	-60.81	312.74	4.24	-56.57
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC2=CC=CNC2=C1	REAL300019841638	1	33	-1.0	-60.83	312.78	4.24	-56.59
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1C2C3CC1C(=O)C32	REAL300019841639	0	34	-1.0	-37.53	306.83	5.78	-31.75
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C2C3CC1C(=O)C32	REAL300019841639	1	34	-1.0	-37.54	306.87	5.78	-31.76
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CN2N=NC=C12	REAL300019841640	0	32	-1.0	-47.66	302.24	4.70	-42.96
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CN2N=NC=C12	REAL300019841640	1	32	-1.0	-47.66	302.17	4.70	-42.96
COCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N1	REAL300019841641	0	35	-1.0	-35.37	323.35	3.57	-31.80
COCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N1	REAL300019841641	1	35	-1.0	-35.35	323.40	3.58	-31.77
O=C(CC1CC2(CC2)C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841642	0	37	-1.0	-34.94	327.66	7.23	-27.71
O=C(CC1CC2(CC2)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841642	1	37	-1.0	-34.62	326.71	7.21	-27.41
CC1=NN(C)C(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841643	0	36	-1.0	-37.72	329.60	4.85	-32.87
CC1=NN(C)C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841643	1	36	-1.0	-38.12	328.65	4.84	-33.28
CCC(C)CC(C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841644	0	41	-1.0	-34.50	341.62	7.13	-27.37
CCC(C)CC(C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841644	1	41	-1.0	-34.50	341.66	7.14	-27.36
CC(C)N(C)C(=O)CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841645	0	42	-1.0	-40.32	362.80	5.58	-34.74
CC(C)N(C)C(=O)CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841645	1	42	-1.0	-40.26	362.85	5.58	-34.68
O=C(CC1=CSC(Cl)=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841646	0	30	-1.0	-35.07	314.44	6.32	-28.75
O=C(CC1=CSC(Cl)=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841646	1	30	-1.0	-35.13	314.48	6.33	-28.80
CC(CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1)CC(F)(F)F	REAL300019841647	0	35	-1.0	-35.57	320.06	6.13	-29.44
CC(CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)CC(F)(F)F	REAL300019841647	1	35	-1.0	-35.55	320.10	6.13	-29.42
CC1(C)CC2(CC2C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841648	0	40	-1.0	-35.85	345.84	7.60	-28.25
CC1(C)CC2(CC2C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841648	1	40	-1.0	-35.80	345.89	7.60	-28.20
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC12CCC2	REAL300019841649	0	40	-1.0	-36.16	334.32	7.38	-28.78
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC12CCC2	REAL300019841649	1	40	-1.0	-36.10	334.36	7.40	-28.70
C#CC1=CC=C(OCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1	REAL300019841650	0	36	-1.0	-37.27	342.56	7.73	-29.54
C#CC1=CC=C(OCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1	REAL300019841650	1	36	-1.0	-37.26	342.61	7.73	-29.53
CC1=NN=C2CC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)CN12	REAL300019841651	0	36	-1.0	-38.96	326.24	6.18	-32.78
CC1=NN=C2CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)CN12	REAL300019841651	1	36	-1.0	-38.90	326.28	6.18	-32.72
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1CC1(F)F	REAL300019841652	0	27	-1.0	-37.86	269.90	4.70	-33.16
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1CC1(F)F	REAL300019841652	1	27	-1.0	-37.87	269.94	4.70	-33.17
CC12CC(CC(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)(C1)CO2	REAL300019841653	0	38	-1.0	-36.13	330.10	4.99	-31.14
CC12CC(CC(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)(C1)CO2	REAL300019841653	1	38	-1.0	-36.13	330.15	4.99	-31.14
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL300019841654	0	43	-1.0	-36.14	344.81	7.73	-28.41
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL300019841654	1	43	-1.0	-36.12	344.85	7.73	-28.39
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C[C@@H]12	REAL300019841655	0	34	-1.0	-35.88	306.32	6.38	-29.50
C[C@@H]1C[C@@]2(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C[C@@H]12	REAL300019841655	1	34	-1.0	-35.87	306.37	6.38	-29.49
O=C(CCC12CCC(CC1)C2)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841656	0	43	-1.0	-34.45	355.87	8.09	-26.36
O=C(CCC12CCC(CC1)C2)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841656	1	43	-1.0	-34.46	355.91	8.11	-26.35
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841657	0	38	-1.0	-38.28	330.37	3.28	-35.00
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841657	1	38	-1.0	-38.29	330.43	3.29	-35.00
CC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1C#N	REAL300019841658	0	33	-1.0	-34.17	316.98	5.16	-29.01
CC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1C#N	REAL300019841658	1	33	-1.0	-34.20	317.02	5.17	-29.03
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CCC(=O)O1	REAL300019841659	0	30	-1.0	-40.10	285.73	4.94	-35.16
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CCC(=O)O1	REAL300019841659	1	30	-1.0	-40.08	285.77	4.94	-35.14
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)C1CCC1	REAL300019841660	0	33	-1.0	-33.21	297.34	5.83	-27.38
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)C1CCC1	REAL300019841660	1	33	-1.0	-33.18	297.38	5.85	-27.33
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)C1CCOC1	REAL300019841661	0	34	-1.0	-36.45	304.75	3.90	-32.55
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)C1CCOC1	REAL300019841661	1	34	-1.0	-36.44	304.80	3.90	-32.54
CCC1(C)CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019841662	0	40	-1.0	-37.21	342.02	6.36	-30.85
CCC1(C)CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019841662	1	40	-1.0	-37.19	342.06	6.36	-30.83
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(CCC2)CO1	REAL300019841663	0	38	-1.0	-36.55	330.14	6.01	-30.54
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(CCC2)CO1	REAL300019841663	1	38	-1.0	-36.47	330.19	6.01	-30.46
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2(CC(F)C2)C1	REAL300019841664	0	37	-1.0	-38.22	328.56	7.00	-31.22
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2(CC(F)C2)C1	REAL300019841664	1	37	-1.0	-38.21	328.60	7.00	-31.21
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=CN=NN2C=C1	REAL300019841665	0	32	-1.0	-36.36	303.24	4.65	-31.71
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC2=CN=NN2C=C1	REAL300019841665	1	32	-1.0	-36.34	303.20	4.66	-31.68
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C12CC(C1)OC2	REAL300019841666	0	32	-1.0	-35.44	290.65	3.54	-31.90
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC(C1)OC2	REAL300019841666	1	32	-1.0	-35.37	290.70	3.54	-31.83
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2=NC=CC=C21	REAL300019841667	0	39	-1.0	-36.02	338.36	6.68	-29.34
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2=NC=CC=C21	REAL300019841667	1	39	-1.0	-36.02	338.41	6.69	-29.33
CN1C=C(SCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019841668	0	34	-1.0	-38.98	331.19	5.07	-33.91
CN1C=C(SCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019841668	1	34	-1.0	-38.97	331.14	5.07	-33.90
O=C(CC1CC2(CCC2)CO1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841669	0	41	-1.0	-36.58	350.88	6.49	-30.09
O=C(CC1CC2(CCC2)CO1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841669	1	41	-1.0	-36.59	350.93	6.50	-30.09
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(CCF)C=C1	REAL300019841670	0	36	-1.0	-36.91	332.26	7.68	-29.23
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(CCF)C=C1	REAL300019841670	1	36	-1.0	-36.89	332.30	7.68	-29.21
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC2=CSC=C2C1	REAL300019841671	0	34	-1.0	-34.20	318.86	6.75	-27.45
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC2=CSC=C2C1	REAL300019841671	1	34	-1.0	-34.18	318.91	6.76	-27.42
CC1=CN2C=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=CC2=N1	REAL300019841672	0	36	-1.0	-37.84	331.02	7.24	-30.60
CC1=CN2C=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=CC2=N1	REAL300019841672	1	36	-1.0	-37.81	331.06	7.26	-30.55
[N-]=[N+]=NC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841673	0	31	-1.0	-33.59	304.49	2.01	-31.58
[N-]=[N+]=NC1=CN=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841673	1	31	-1.0	-33.58	304.53	2.02	-31.56
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841674	0	38	-1.0	-35.91	334.90	3.14	-32.77
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841674	1	38	-1.0	-35.88	334.94	3.15	-32.73
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841675	0	38	-1.0	-34.20	337.81	2.90	-31.30
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841675	1	38	-1.0	-34.23	337.86	2.90	-31.33
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841676	0	36	-1.0	-35.89	329.38	2.85	-33.04
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841676	1	36	-1.0	-35.90	329.42	2.86	-33.04
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841677	0	32	-1.0	-35.49	304.21	1.72	-33.77
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841677	1	32	-1.0	-35.47	304.25	1.73	-33.74
[N-]=[N+]=NC1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841678	0	35	-1.0	-33.59	320.09	2.29	-31.30
[N-]=[N+]=NC1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841678	1	35	-1.0	-33.58	320.14	2.30	-31.28
CC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C2C=CNC2=N1	REAL300019841679	0	35	-1.0	-44.40	326.20	5.18	-39.22
CC1=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C2C=CNC2=N1	REAL300019841679	1	35	-1.0	-44.37	326.24	5.19	-39.18
CC1(C)CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841680	0	45	-1.0	-34.02	347.36	7.56	-26.46
CC1(C)CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841680	1	45	-1.0	-33.99	347.41	7.57	-26.42
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841681	0	45	-1.0	-34.61	357.19	7.90	-26.71
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841681	1	45	-1.0	-34.62	357.24	7.90	-26.72
COC1=CN=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841682	0	32	-1.0	-42.17	304.89	2.52	-39.65
COC1=CN=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841682	1	32	-1.0	-42.23	304.84	2.53	-39.70
C[C@H]1C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)[C@H]1C	REAL300019841683	0	33	-1.0	-35.48	294.70	5.75	-29.73
C[C@H]1C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)[C@H]1C	REAL300019841683	1	33	-1.0	-35.49	294.74	5.75	-29.74
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841684	0	33	-1.0	-35.73	310.39	6.08	-29.65
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841684	1	33	-1.0	-35.74	310.43	6.08	-29.66
CC1CC(=O)NCC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841685	0	37	-1.0	-36.72	323.32	2.75	-33.97
CC1CC(=O)NCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841685	1	37	-1.0	-36.74	323.38	2.75	-33.99
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841686	0	39	-1.0	-37.76	331.49	6.84	-30.92
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841686	1	39	-1.0	-37.73	331.55	6.84	-30.89
COC1(C#N)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841687	0	35	-1.0	-35.43	324.07	4.13	-31.30
COC1(C#N)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841687	1	35	-1.0	-35.41	324.10	4.13	-31.28
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841688	0	34	-1.0	-34.66	297.65	3.98	-30.68
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841688	1	34	-1.0	-34.64	297.69	3.98	-30.66
CC1(C)CC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CO1	REAL300019841689	0	40	-1.0	-36.22	343.48	5.33	-30.89
CC1(C)CC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CO1	REAL300019841689	1	40	-1.0	-36.22	343.52	5.34	-30.88
O=C(CC1CCC(=O)NC1=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841690	0	36	-1.0	-46.40	323.11	3.58	-42.82
O=C(CC1CCC(=O)NC1=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841690	1	36	-1.0	-46.40	323.16	3.58	-42.82
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCCC(=O)C1	REAL300019841691	0	38	-1.0	-36.24	325.39	5.92	-30.32
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCCC(=O)C1	REAL300019841691	1	38	-1.0	-36.20	325.43	5.92	-30.28
CC1=C2NN=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C2=CC=C1	REAL300019841692	0	36	-1.0	-42.30	333.07	5.40	-36.90
CC1=C2NN=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C2=CC=C1	REAL300019841692	1	36	-1.0	-42.09	332.10	5.39	-36.70
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCC2(CCC2)O1	REAL300019841693	0	38	-1.0	-37.37	330.57	6.21	-31.16
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2(CCC2)O1	REAL300019841693	1	38	-1.0	-37.38	330.62	6.23	-31.15
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1COC2	REAL300019841694	0	35	-1.0	-37.24	316.26	5.40	-31.84
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1COC2	REAL300019841694	1	35	-1.0	-37.17	316.30	5.40	-31.77
CC1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841695	0	42	-1.0	-34.40	338.51	7.37	-27.03
CC1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841695	1	42	-1.0	-34.45	338.55	7.37	-27.08
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1CC1(F)F	REAL300019841696	0	27	-1.0	-34.50	269.40	4.75	-29.75
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CC1(F)F	REAL300019841696	1	27	-1.0	-34.48	269.45	4.76	-29.72
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@@H]1C(F)F	REAL300019841697	0	30	-1.0	-39.31	281.05	5.48	-33.83
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@@H]1C(F)F	REAL300019841697	1	30	-1.0	-39.28	281.10	5.48	-33.80
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC2=NC=CN2C=C1	REAL300019841698	0	32	-1.0	-52.21	305.59	7.25	-44.96
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC2=NC=CN2C=C1	REAL300019841698	1	32	-1.0	-52.15	306.56	7.29	-44.86
COC(=O)C1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841699	0	39	-1.0	-38.63	345.10	6.29	-32.34
COC(=O)C1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841699	1	39	-1.0	-38.60	345.15	6.29	-32.31
CC1=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NN1	REAL300019841700	0	30	-1.0	-41.17	302.23	3.60	-37.57
CC1=C(Cl)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NN1	REAL300019841700	1	30	-1.0	-41.15	302.27	3.61	-37.54
CC1=NNC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1Cl	REAL300019841700	1	30	-1.0	-33.74	301.43	3.66	-30.08
CC1=NNC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1Cl	REAL300019841700	1	30	-1.0	-33.69	301.47	3.66	-30.03
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C[C@@H]12	REAL300019841701	0	33	-1.0	-35.48	315.50	2.35	-33.13
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C[C@@H]12	REAL300019841701	1	33	-1.0	-35.48	315.55	2.36	-33.12
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(C2CCC2)=NO1	REAL300019841702	0	36	-1.0	-37.64	329.08	6.06	-31.58
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(C2CCC2)=NO1	REAL300019841702	1	36	-1.0	-37.58	329.12	6.07	-31.51
CC(C)C1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841703	0	37	-1.0	-39.20	334.27	5.77	-33.43
CC(C)C1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841703	1	37	-1.0	-39.13	334.32	5.77	-33.36
CC(C)(C#N)CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841704	0	36	-1.0	-37.27	323.43	5.86	-31.41
CC(C)(C#N)CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841704	1	36	-1.0	-37.25	323.48	5.87	-31.38
[N-]=[N+]=NCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841705	0	25	-1.0	-33.84	256.53	-0.26	-34.10
[N-]=[N+]=NCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841705	1	25	-1.0	-33.84	256.58	-0.25	-34.09
[N-]=[N+]=NC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841706	0	32	-1.0	-33.60	309.37	3.78	-29.82
[N-]=[N+]=NC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841706	1	32	-1.0	-33.57	309.41	3.78	-29.79
[N-]=[N+]=NCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841707	0	28	-1.0	-33.85	277.56	0.40	-33.45
[N-]=[N+]=NCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841707	1	28	-1.0	-33.83	277.60	0.40	-33.43
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)O1	REAL300019841708	0	32	-1.0	-41.39	319.04	1.58	-39.81
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019841708	1	32	-1.0	-41.33	319.08	1.58	-39.75
[N-]=[N+]=NCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841709	0	31	-1.0	-35.25	299.05	1.21	-34.04
[N-]=[N+]=NCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841709	1	31	-1.0	-35.21	299.10	1.22	-33.99
[N-]=[N+]=NCCCCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841710	0	40	-1.0	-35.90	363.55	3.56	-32.34
[N-]=[N+]=NCCCCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841710	1	40	-1.0	-35.87	363.60	3.56	-32.31
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841711	0	35	-1.0	-36.84	333.33	3.36	-33.48
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841711	1	35	-1.0	-36.85	333.37	3.36	-33.49
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(N=[N+]=[N-])=C1	REAL300019841712	0	35	-1.0	-36.50	329.31	4.74	-31.76
CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(N=[N+]=[N-])=C1	REAL300019841712	1	35	-1.0	-36.46	329.35	4.74	-31.72
CCOCC(N=[N+]=[N-])C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841713	0	35	-1.0	-32.03	332.75	0.43	-31.60
CCOCC(N=[N+]=[N-])C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841713	1	35	-1.0	-32.00	332.79	0.44	-31.56
CN1C=C(C(F)(F)C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=N1	REAL300019841714	0	33	-1.0	-39.74	321.44	4.68	-35.06
CN1C=C(C(F)(F)C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=N1	REAL300019841714	1	33	-1.0	-39.78	321.40	4.67	-35.11
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC(C2CCC2)C1	REAL300019841715	0	40	-1.0	-34.97	342.40	7.72	-27.25
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC(C2CCC2)C1	REAL300019841715	1	40	-1.0	-34.95	342.45	7.73	-27.22
C#CC1=CC=CC(OCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841716	0	36	-1.0	-38.57	343.57	7.76	-30.81
C#CC1=CC=CC(OCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841716	1	36	-1.0	-38.58	343.62	7.76	-30.82
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCC2(CCC2)C1	REAL300019841717	0	43	-1.0	-34.63	351.67	7.96	-26.67
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2(CCC2)C1	REAL300019841717	1	43	-1.0	-34.64	351.71	7.96	-26.68
CNC(=O)NC(C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841718	0	35	-1.0	-37.58	320.75	0.98	-36.60
CNC(=O)NC(C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841718	1	35	-1.0	-37.57	320.79	0.98	-36.59
CNC(=O)N[C@@H](C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841719	0	35	-1.0	-40.09	320.28	0.97	-39.12
CNC(=O)N[C@@H](C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841719	1	35	-1.0	-37.65	319.31	0.96	-36.69
CNC(=O)N[C@H](C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841720	0	35	-1.0	-37.62	320.72	0.99	-36.63
CNC(=O)N[C@H](C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841720	1	35	-1.0	-37.53	320.76	0.99	-36.54
CC1CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CCS1	REAL300019841721	0	37	-1.0	-33.57	317.77	6.97	-26.60
CC1CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CCS1	REAL300019841721	1	37	-1.0	-33.51	317.82	6.97	-26.54
CC(C)(F)CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841722	0	35	-1.0	-36.56	312.92	5.88	-30.68
CC(C)(F)CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841722	1	35	-1.0	-36.58	312.97	5.88	-30.70
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841723	0	35	-1.0	-39.97	329.14	3.67	-36.30
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841723	1	35	-1.0	-39.90	329.18	3.68	-36.22
COC1CC(CCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841724	0	40	-1.0	-36.52	349.58	5.57	-30.95
COC1CC(CCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841724	1	40	-1.0	-36.47	349.62	5.57	-30.90
CCCCC[C@@H](O)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841725	0	42	-1.0	-36.50	364.05	5.19	-31.31
CCCCC[C@@H](O)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841725	1	42	-1.0	-36.53	363.10	5.16	-31.37
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300019841726	0	36	-1.0	-38.88	321.22	7.18	-31.70
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300019841726	1	36	-1.0	-38.85	321.29	7.19	-31.66
CCC1=C(C)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NO1	REAL300019841727	0	35	-1.0	-41.65	322.10	5.59	-36.06
CCC1=C(C)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NO1	REAL300019841727	1	35	-1.0	-41.60	322.15	5.60	-36.00
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CCCCNC1=O	REAL300019841728	0	37	-1.0	-40.42	307.82	3.34	-37.08
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCCNC1=O	REAL300019841728	1	37	-1.0	-40.41	307.86	3.35	-37.06
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841729	0	36	-1.0	-46.30	333.79	4.95	-41.35
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841729	1	36	-1.0	-46.27	333.83	4.96	-41.31
O=C(CN1C=NC=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841730	0	29	-1.0	-38.91	282.42	5.65	-33.26
O=C(CN1C=NC=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841730	1	29	-1.0	-38.95	282.37	5.64	-33.31
COCC(C)(O)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841731	0	37	-1.0	-37.68	326.71	2.17	-35.51
COCC(C)(O)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841731	1	37	-1.0	-37.68	326.75	2.17	-35.51
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CS1	REAL300019841732	0	33	-1.0	-36.76	311.49	6.53	-30.23
CCC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CS1	REAL300019841732	1	33	-1.0	-36.77	311.53	6.55	-30.22
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841733	0	39	0.0	-54.36	332.52	6.24	-48.12
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841733	1	39	0.0	-54.38	332.57	6.24	-48.14
CCCCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)N=N1	REAL300019841734	0	38	-1.0	-44.64	348.48	4.82	-39.82
CCCCN1C=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)N=N1	REAL300019841734	1	38	-1.0	-44.71	348.43	4.80	-39.91
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1(C)C	REAL300019841735	0	39	-1.0	-37.14	344.15	6.29	-30.85
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1(C)C	REAL300019841735	1	39	-1.0	-37.17	344.28	6.52	-30.65
CCC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841736	0	34	-1.0	-36.53	312.45	5.18	-31.35
CCC1=NOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841736	1	34	-1.0	-36.56	312.50	5.18	-31.38
CC1=NOC2(CC(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C2)C1	REAL300019841737	0	38	-1.0	-41.66	340.01	5.27	-36.39
CC1=NOC2(CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C2)C1	REAL300019841737	1	38	-1.0	-41.63	340.05	5.28	-36.35
CCCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NN1C	REAL300019841738	0	39	-1.0	-43.07	351.27	5.88	-37.19
CCCC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NN1C	REAL300019841738	1	39	-1.0	-43.12	351.31	5.88	-37.24
CCCC1=NN(C)C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841739	0	39	-1.0	-35.46	347.85	5.95	-29.51
CCCC1=NN(C)C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841739	1	39	-1.0	-35.19	346.86	5.93	-29.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841740	0	45	0.0	-47.16	354.05	7.15	-40.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841740	1	45	0.0	-47.19	354.10	7.17	-40.02
CC(C)CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=NO1	REAL300019841741	0	38	-1.0	-40.38	343.78	6.24	-34.14
CC(C)CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=NO1	REAL300019841741	1	38	-1.0	-40.37	343.81	6.24	-34.13
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841742	0	36	-1.0	-41.77	332.70	6.40	-35.37
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841742	1	36	-1.0	-41.71	332.75	6.40	-35.31
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C(F)C1CCOCC1	REAL300019841743	0	37	-1.0	-33.30	322.23	4.65	-28.65
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C(F)C1CCOCC1	REAL300019841743	1	37	-1.0	-33.25	322.28	4.66	-28.59
CCC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841744	0	35	-1.0	-41.23	322.99	5.80	-35.43
CCC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841744	1	35	-1.0	-41.21	323.03	5.80	-35.41
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)SN=C1	REAL300019841745	0	29	-1.0	-36.31	286.87	4.38	-31.93
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)SN=C1	REAL300019841745	1	29	-1.0	-36.34	286.83	4.38	-31.96
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CC2=NNN=C21	REAL300019841746	0	35	-1.0	-38.40	324.04	4.02	-34.38
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CC2=NNN=C21	REAL300019841746	1	35	-1.0	-38.41	324.09	4.02	-34.39
C#CCOCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841747	0	29	-1.0	-38.23	287.78	4.55	-33.68
C#CCOCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841747	1	29	-1.0	-38.22	287.83	4.55	-33.67
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841748	0	29	-1.0	-36.98	279.76	5.71	-31.27
C#C[C@H]1C[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841748	1	29	-1.0	-36.97	279.81	5.71	-31.26
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@H]1CC(=O)N1	REAL300019841749	0	28	-1.0	-36.86	270.84	0.11	-36.75
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@H]1CC(=O)N1	REAL300019841749	1	28	-1.0	-36.86	270.89	0.11	-36.75
CC1(C)NC(=O)CC1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841750	0	37	-1.0	-37.70	324.52	2.87	-34.83
CC1(C)NC(=O)CC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841750	1	37	-1.0	-37.68	324.56	2.88	-34.80
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1NC(=O)[C@H]2CC[C@H]21	REAL300019841751	0	35	-1.0	-35.43	314.58	2.76	-32.67
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1NC(=O)[C@H]2CC[C@H]21	REAL300019841751	1	35	-1.0	-35.43	314.63	2.76	-32.67
CC1CC(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(C)O1	REAL300019841752	0	40	-1.0	-35.32	343.97	5.40	-29.92
CC1CC(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(C)O1	REAL300019841752	1	40	-1.0	-35.30	344.01	5.40	-29.90
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=COC(Cl)=C1	REAL300019841753	0	27	-1.0	-33.25	282.26	4.66	-28.59
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=COC(Cl)=C1	REAL300019841753	1	27	-1.0	-33.22	282.30	4.66	-28.56
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)SC(F)=C1	REAL300019841754	0	30	-1.0	-35.21	297.23	5.87	-29.34
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)SC(F)=C1	REAL300019841754	1	30	-1.0	-35.25	297.27	5.88	-29.37
CC1(C)[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)[C@@H]1C(F)F	REAL300019841755	0	36	-1.0	-37.05	314.51	6.34	-30.71
CC1(C)[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)[C@@H]1C(F)F	REAL300019841755	1	36	-1.0	-37.02	314.55	6.34	-30.68
CN1N=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)C=CC=C21	REAL300019841756	0	35	-1.0	-46.92	324.62	4.72	-42.20
CN1N=NC2=C(C(=O)NC3=CC=C(Br)C=C3C3=N[N-]N=N3)C=CC=C21	REAL300019841756	1	35	-1.0	-46.93	324.57	4.71	-42.22
COC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(C)=N1	REAL300019841757	0	35	-1.0	-34.76	320.10	1.44	-33.32
COC1=NC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(C)=N1	REAL300019841757	1	35	-1.0	-34.80	320.15	1.43	-33.37
COC(=O)CC1(CC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841758	0	39	-1.0	-37.88	350.71	6.45	-31.43
COC(=O)CC1(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841758	1	39	-1.0	-37.86	350.77	6.46	-31.40
CC(CC1=CC=NC=C1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841759	0	38	-1.0	-35.76	337.91	6.26	-29.50
CC(CC1=CC=NC=C1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841759	1	38	-1.0	-35.81	337.95	6.27	-29.54
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1C2C3CC1CC32	REAL300019841760	0	35	-1.0	-35.31	305.21	6.76	-28.55
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C2C3CC1CC32	REAL300019841760	1	35	-1.0	-35.28	305.25	6.76	-28.52
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC(N2C=CN=C2)C1	REAL300019841761	0	37	-1.0	-39.81	331.92	7.07	-32.74
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC(N2C=CN=C2)C1	REAL300019841761	1	37	-1.0	-39.78	331.97	7.07	-32.71
CC(C)CCCOCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841762	0	42	-1.0	-35.96	364.06	6.90	-29.06
CC(C)CCCOCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841762	1	42	-1.0	-35.95	364.11	6.90	-29.05
CC1=CC=CC(C(O)C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019841763	0	37	-1.0	-36.15	335.93	5.34	-30.81
CC1=CC=CC(C(O)C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019841763	1	37	-1.0	-36.16	335.98	5.35	-30.81
O=C(C=CC1CCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841764	0	34	-1.0	-35.56	308.37	6.48	-29.08
O=C(C=CC1CCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841764	1	34	-1.0	-35.56	308.41	6.48	-29.08
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CN1C	REAL300019841765	0	34	-1.0	-39.77	310.77	6.13	-33.64
CC1=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CN1C	REAL300019841765	1	34	-1.0	-39.72	310.82	6.13	-33.59
CCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(F)=C1	REAL300019841766	0	36	-1.0	-37.82	329.23	7.60	-30.22
CCC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(F)=C1	REAL300019841766	1	36	-1.0	-37.79	329.28	7.60	-30.19
O=C(CC1=CN=NS1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841767	0	28	-1.0	-36.21	286.15	3.42	-32.79
O=C(CC1=CN=NS1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841767	1	28	-1.0	-36.50	285.20	3.40	-33.10
CCOC1=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=CS1	REAL300019841768	0	34	-1.0	-40.60	324.83	6.29	-34.31
CCOC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CS1	REAL300019841768	1	34	-1.0	-40.55	324.87	6.30	-34.25
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841769	0	42	0.0	-47.68	338.83	6.97	-40.71
CC[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841769	1	42	0.0	-48.69	338.27	6.96	-41.73
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841769	1	42	0.0	-47.72	338.79	6.97	-40.75
CC[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841769	1	42	0.0	-48.63	338.22	6.96	-41.67
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019841770	0	37	-1.0	-36.88	335.31	8.11	-28.77
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019841770	1	37	-1.0	-35.65	334.35	8.10	-27.55
CCC(=CC1=CC=CC=C1)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841771	0	40	-1.0	-36.83	346.77	8.49	-28.34
CCC(=CC1=CC=CC=C1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841771	1	40	-1.0	-36.82	346.83	8.51	-28.31
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1=CC=CC(F)=C1F	REAL300019841772	0	34	-1.0	-50.54	309.53	3.52	-47.02
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1=CC=CC(F)=C1F	REAL300019841772	1	34	-1.0	-50.54	309.59	3.53	-47.01
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(F)=C1F	REAL300019841773	0	34	-1.0	-45.62	320.12	3.30	-42.32
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(F)=C1F	REAL300019841773	1	34	-1.0	-45.64	320.19	3.31	-42.33
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1=CC(Cl)=CC=C1F	REAL300019841774	0	34	-1.0	-47.34	319.96	3.98	-43.36
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1=CC(Cl)=CC=C1F	REAL300019841774	1	34	-1.0	-47.37	320.02	3.99	-43.38
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC(Cl)=CC=C1F	REAL300019841775	0	34	-1.0	-40.47	330.56	3.76	-36.71
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC(Cl)=CC=C1F	REAL300019841775	1	34	-1.0	-40.43	330.62	3.77	-36.66
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1=CC=C(Br)C(F)=C1	REAL300019841776	0	34	-1.0	-46.03	325.65	4.03	-42.00
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1=CC=C(Br)C(F)=C1	REAL300019841776	1	34	-1.0	-46.04	325.71	4.05	-41.99
CN(CC(O)CN(C)C(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL300019841777	0	52	-1.0	-60.08	410.98	2.70	-57.38
CN(CC(O)CN(C)C(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL300019841777	1	52	-1.0	-60.11	411.04	2.72	-57.39
CN(CC(O)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300019841778	0	52	-1.0	-43.61	418.01	3.75	-39.86
CN(CC(O)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300019841778	1	52	-1.0	-43.58	418.09	3.77	-39.81
CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CCCC1=N[N-]N=N1)CC(C)(C)O2	REAL300019841779	0	57	-1.0	-51.96	433.68	4.83	-47.13
CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CCCC1=NN=N[N-]1)CC(C)(C)O2	REAL300019841779	1	57	-1.0	-51.96	433.73	4.84	-47.12
O=C(CCCC1=N[N-]N=N1)N1CCN(CCC2=CC=NC=C2)CC1	REAL300019841780	0	46	-1.0	-49.54	367.30	3.91	-45.63
O=C(CCCC1=NN=N[N-]1)N1CCN(CCC2=CC=NC=C2)CC1	REAL300019841780	1	46	-1.0	-49.54	367.36	3.92	-45.62
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCN(CCC2=CC=NC=C2)CC1	REAL300019841781	0	49	-1.0	-54.87	389.90	6.43	-48.44
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN(CCC2=CC=NC=C2)CC1	REAL300019841781	1	49	-1.0	-55.58	389.92	6.47	-49.11
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(CCC2=CC=NC=C2)CC1	REAL300019841782	0	46	-1.0	-37.52	375.32	4.14	-33.38
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(CCC2=CC=NC=C2)CC1	REAL300019841782	1	46	-1.0	-37.55	375.38	4.14	-33.41
CCCCNC(=O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019841783	0	50	-1.0	-50.38	393.38	2.07	-48.31
CCCCNC(=O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019841783	1	50	-1.0	-50.39	393.43	2.08	-48.31
CCCCNC(=O)CN1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019841784	0	53	-1.0	-55.31	416.03	4.57	-50.74
CCCCNC(=O)CN1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019841784	1	53	-1.0	-55.04	416.12	4.59	-50.45
CCCCNC(=O)CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019841785	0	50	-1.0	-41.75	401.03	2.34	-39.41
CCCCNC(=O)CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019841785	1	50	-1.0	-41.71	401.10	2.34	-39.37
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019841786	0	36	-1.0	-61.89	316.95	-1.83	-63.72
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019841786	1	36	-1.0	-61.21	317.42	-1.84	-63.05
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019841787	0	33	-1.0	-46.29	303.23	-4.94	-51.23
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019841787	1	33	-1.0	-46.22	303.29	-4.93	-51.15
CC1=CC=C(C)C(C(=O)CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019841788	0	40	-1.0	-46.04	336.00	4.72	-41.32
CC1=CC=C(C)C(C(=O)CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019841788	1	40	-1.0	-46.05	336.06	4.74	-41.31
CC1=CC=C(C)C(C(=O)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019841789	0	40	-1.0	-38.49	346.59	4.51	-33.98
CC1=CC=C(C)C(C(=O)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019841789	1	40	-1.0	-38.45	346.66	4.52	-33.93
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(C2=CC=CC=N2)C1	REAL300019841790	0	38	-1.0	-56.22	318.84	6.26	-49.96
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(C2=CC=CC=N2)C1	REAL300019841790	1	38	-1.0	-56.03	318.66	6.25	-49.78
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2=CC=CC=N2)C1	REAL300019841791	0	35	-1.0	-39.06	306.67	3.74	-35.32
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2=CC=CC=N2)C1	REAL300019841791	1	35	-1.0	-39.04	306.73	3.76	-35.28
O=C(CCCC1=N[N-]N=N1)NCC1=CC(F)=C(Cl)C([N+](=O)[O-])=C1	REAL300019841792	0	34	-1.0	-48.38	325.61	4.58	-43.80
O=C(CCCC1=NN=N[N-]1)NCC1=CC(F)=C(Cl)C([N+](=O)[O-])=C1	REAL300019841792	1	34	-1.0	-48.38	325.67	4.59	-43.79
O=C(NCC1=CC(F)=C(Cl)C([N+](=O)[O-])=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019841793	0	37	-1.0	-52.01	349.94	7.51	-44.50
O=C(NCC1=CC(F)=C(Cl)C([N+](=O)[O-])=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019841793	1	37	-1.0	-51.81	350.04	7.51	-44.30
O=C(NCC1=CC(F)=C(Cl)C([N+](=O)[O-])=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019841794	0	34	-1.0	-38.99	336.21	4.37	-34.62
O=C(NCC1=CC(F)=C(Cl)C([N+](=O)[O-])=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019841794	1	34	-1.0	-38.97	336.27	4.37	-34.60
C[NH+](C)C1(C)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019841795	0	47	0.0	-75.42	339.19	7.13	-68.29
C[NH+](C)C1(C)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019841795	1	47	0.0	-75.23	339.28	7.15	-68.08
C[NH+](C)C1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019841796	0	44	0.0	-58.30	323.36	4.84	-53.46
C[NH+](C)C1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019841796	1	44	0.0	-58.25	323.42	4.85	-53.40
CCOC(=O)C(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=NC=C1	REAL300019841797	0	44	-1.0	-54.04	372.65	1.93	-52.11
CCOC(=O)C(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=NC=C1	REAL300019841797	1	44	-1.0	-54.07	372.71	1.94	-52.13
CCOC(=O)C(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(O)C1=CC=NC=C1	REAL300019841798	0	47	-1.0	-60.06	397.00	4.84	-55.22
CCOC(=O)C(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(O)C1=CC=NC=C1	REAL300019841798	1	47	-1.0	-60.70	397.47	4.84	-55.86
CCOC(=O)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(O)C1=CC=NC=C1	REAL300019841799	0	44	-1.0	-41.20	374.50	0.98	-40.22
CCOC(=O)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(O)C1=CC=NC=C1	REAL300019841799	1	44	-1.0	-41.15	374.58	0.98	-40.17
O=C(CCCC1=N[N-]N=N1)N1CCN(CC2=CN=CS2)CC1	REAL300019841800	0	40	-1.0	-47.75	334.28	1.90	-45.85
O=C(CCCC1=NN=N[N-]1)N1CCN(CC2=CN=CS2)CC1	REAL300019841800	1	40	-1.0	-47.80	334.34	1.91	-45.89
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN(CC2=CN=CS2)CC1	REAL300019841801	0	43	-1.0	-53.83	356.91	4.38	-49.45
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCN(CC2=CN=CS2)CC1	REAL300019841801	1	43	-1.0	-53.66	357.00	4.40	-49.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(CC2=CN=CS2)CC1	REAL300019841802	0	40	-1.0	-37.65	341.98	2.15	-35.50
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(CC2=CN=CS2)CC1	REAL300019841802	1	40	-1.0	-37.70	341.91	2.14	-35.56
O=C(CCCC1=N[N-]N=N1)N(CCC1=CC=CC=C1)[C@@H]1CS(=O)(=O)C[C@H]1O	REAL300019841803	0	49	-1.0	-57.04	405.56	1.65	-55.39
O=C(CCCC1=NN=N[N-]1)N(CCC1=CC=CC=C1)[C@@H]1CS(=O)(=O)C[C@H]1O	REAL300019841803	1	49	-1.0	-57.00	405.61	1.66	-55.34
O=C(CCCC1=N[N-]N=N1)N1CCN(CC2CCCS2(=O)=O)CC1	REAL300019841804	0	47	-1.0	-56.53	374.16	1.29	-55.24
O=C(CCCC1=NN=N[N-]1)N1CCN(CC2CCCS2(=O)=O)CC1	REAL300019841804	1	47	-1.0	-56.53	374.21	1.31	-55.22
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(CC2CCCS2(=O)=O)CC1	REAL300019841805	0	47	-1.0	-45.42	381.88	1.48	-43.94
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(CC2CCCS2(=O)=O)CC1	REAL300019841805	1	47	-1.0	-45.38	381.95	1.49	-43.89
NS(=O)(=O)CC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL300019841806	0	40	-1.0	-48.92	323.60	-0.74	-49.66
NS(=O)(=O)CC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL300019841806	1	40	-1.0	-48.88	323.66	-0.72	-49.60
NS(=O)(=O)CC1CCCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019841807	0	43	-1.0	-53.28	347.29	1.71	-51.57
NS(=O)(=O)CC1CCCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019841807	1	43	-1.0	-53.06	347.39	1.72	-51.34
NS(=O)(=O)CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019841808	0	40	-1.0	-39.64	331.11	-0.44	-40.08
NS(=O)(=O)CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019841808	1	40	-1.0	-39.62	331.18	-0.43	-40.05
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CS(=O)(=O)C1	REAL300019841809	0	35	-1.0	-61.20	299.07	1.88	-59.32
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CS(=O)(=O)C1	REAL300019841809	1	35	-1.0	-61.04	299.11	1.89	-59.15
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CS(=O)(=O)C1	REAL300019841810	0	32	-1.0	-42.03	285.17	-0.24	-42.27
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CS(=O)(=O)C1	REAL300019841810	1	32	-1.0	-42.02	285.24	-0.21	-42.23
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847202	0	44	0.0	-75.26	342.16	2.16	-73.10
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847202	1	44	0.0	-75.34	342.21	2.17	-73.17
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847203	0	45	-1.0	-59.78	364.29	2.34	-57.44
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847203	1	45	-1.0	-59.84	364.22	2.33	-57.51
NC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC(Br)=N1	REAL300019847204	0	32	-1.0	-48.76	284.45	-0.90	-49.66
NC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC(Br)=N1	REAL300019847204	1	32	-1.0	-48.77	284.38	-0.92	-49.69
O=C(C1=NOC2=C1COCC2)N1CCOCC1C1=N[N-]N=N1	REAL300019847205	0	35	-1.0	-50.71	283.82	-0.14	-50.85
O=C(C1=NOC2=C1COCC2)N1CCOCC1C1=NN=N[N-]1	REAL300019847205	1	35	-1.0	-50.69	283.89	-0.12	-50.81
CC1=CN2C=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC2=N1	REAL300019847206	0	37	-1.0	-63.65	301.38	2.74	-60.91
CC1=CN2C=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CC2=N1	REAL300019847206	1	37	-1.0	-63.62	301.45	2.76	-60.86
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019847207	0	45	-1.0	-63.44	371.10	6.18	-57.26
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019847207	1	45	-1.0	-63.52	371.17	6.19	-57.33
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCOCC3C3=N[N-]N=N3)=CNC2=C1	REAL300019847208	0	45	-1.0	-59.65	359.83	1.28	-58.37
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCOCC3C3=NN=N[N-]3)=CNC2=C1	REAL300019847208	1	45	-1.0	-59.68	359.90	1.29	-58.39
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019847209	0	39	-1.0	-58.56	319.88	0.42	-58.14
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019847209	1	39	-1.0	-58.55	319.94	0.42	-58.13
CNC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1F	REAL300019847210	0	36	-1.0	-51.76	293.16	0.49	-51.27
CNC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1F	REAL300019847210	1	36	-1.0	-51.75	293.22	0.49	-51.26
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019847211	0	54	-1.0	-61.51	403.85	1.28	-60.23
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019847211	1	54	-1.0	-61.49	403.91	1.29	-60.20
O=C(C1CCC2C(C1)C2(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019847212	0	38	-1.0	-56.86	293.93	2.63	-54.23
O=C(C1CCC2C(C1)C2(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019847212	1	38	-1.0	-56.90	294.00	2.64	-54.26
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847213	0	42	-1.0	-54.76	334.75	-1.47	-56.23
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847213	1	42	-1.0	-54.79	334.82	-1.48	-56.27
COC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1OC(F)F	REAL300019847214	0	42	-1.0	-58.43	348.22	2.14	-56.29
COC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1OC(F)F	REAL300019847214	1	42	-1.0	-58.45	348.29	2.16	-56.29
CC1=CC=CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1Br	REAL300019847215	0	37	-1.0	-51.34	316.12	3.73	-47.61
CC1=CC=CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1Br	REAL300019847215	1	37	-1.0	-51.34	316.20	3.76	-47.58
O=C(C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1)N1CCOCC1	REAL300019847216	0	46	-1.0	-54.09	358.38	1.05	-53.04
O=C(C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1)N1CCOCC1	REAL300019847216	1	46	-1.0	-54.13	358.45	1.06	-53.07
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847217	0	40	-1.0	-63.79	330.48	2.00	-61.79
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847217	1	40	-1.0	-63.79	330.40	1.99	-61.80
CC1=CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=NC=C1Cl	REAL300019847218	0	36	-1.0	-57.20	308.93	2.15	-55.05
CC1=CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=NC=C1Cl	REAL300019847218	1	36	-1.0	-57.23	309.00	2.17	-55.06
NC1=C(Cl)C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1Cl	REAL300019847219	0	33	-1.0	-50.77	296.76	0.61	-50.16
NC1=C(Cl)C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1Cl	REAL300019847219	1	33	-1.0	-50.74	296.82	0.62	-50.12
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019847220	0	34	-1.0	-49.71	304.84	3.08	-46.63
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019847220	1	34	-1.0	-49.68	304.91	3.11	-46.57
CCN1C(=O)NC2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC=C21	REAL300019847221	0	41	-1.0	-58.96	332.52	1.39	-57.57
CCN1C(=O)NC2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CC=C21	REAL300019847221	1	41	-1.0	-58.97	332.58	1.40	-57.57
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847222	0	42	-1.0	-57.48	337.67	2.06	-55.42
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847222	1	42	-1.0	-57.46	337.74	2.05	-55.41
COC(=O)N1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019847223	0	42	-1.0	-59.23	325.46	0.65	-58.58
COC(=O)N1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019847223	1	42	-1.0	-59.23	325.53	0.66	-58.57
O=C(CCC1=CC=CN=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019847224	0	36	-1.0	-53.59	309.28	1.99	-51.60
O=C(CCC1=CC=CN=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019847224	1	36	-1.0	-53.58	309.22	1.99	-51.59
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847225	0	54	-1.0	-49.25	391.00	3.59	-45.66
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847225	1	54	-1.0	-49.29	391.07	3.60	-45.69
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847226	0	54	-1.0	-52.28	414.88	0.37	-51.91
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847226	1	54	-1.0	-52.28	414.93	0.36	-51.92
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=N1	REAL300019847227	0	50	-1.0	-53.33	401.37	-0.84	-54.17
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=N1	REAL300019847227	1	50	-1.0	-53.35	401.30	-0.85	-54.20
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019847228	0	38	-1.0	-59.09	334.60	-1.01	-60.10
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019847228	1	38	-1.0	-59.07	334.67	-1.02	-60.09
O=C(C1=CC(Br)=CNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847229	0	31	-1.0	-58.93	275.35	-0.68	-59.61
O=C(C1=CC(Br)=CNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847229	1	31	-1.0	-58.87	275.43	-0.68	-59.55
O=C(C1=CN=C2CCCCCN12)N1CCOCC1C1=N[N-]N=N1	REAL300019847230	0	41	-1.0	-51.80	308.57	1.95	-49.85
O=C(C1=CN=C2CCCCCN12)N1CCOCC1C1=NN=N[N-]1	REAL300019847230	1	41	-1.0	-51.81	308.64	1.96	-49.85
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCOCC1C1=NN=N[N-]1	REAL300019847231	0	40	-1.0	-54.48	329.05	4.76	-49.72
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCOCC1C1=N[N-]N=N1	REAL300019847231	1	40	-1.0	-54.44	329.00	4.75	-49.69
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019847232	0	37	-1.0	-64.22	317.19	-1.79	-66.01
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019847232	1	37	-1.0	-64.23	317.26	-1.76	-65.99
O=C(C1=CC2=CSC=C2S1)N1CCOCC1C1=N[N-]N=N1	REAL300019847233	0	31	-1.0	-53.28	283.18	1.99	-51.29
O=C(C1=CC2=CSC=C2S1)N1CCOCC1C1=NN=N[N-]1	REAL300019847233	1	31	-1.0	-53.28	283.24	1.99	-51.29
CC1=CC=CC=C1CC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847234	0	43	-1.0	-51.80	331.65	4.27	-47.53
CC1=CC=CC=C1CC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847234	1	43	-1.0	-51.77	331.72	4.27	-47.50
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)OC(C(F)F)=C1	REAL300019847235	0	34	-1.0	-48.92	289.46	1.69	-47.23
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)OC(C(F)F)=C1	REAL300019847235	1	34	-1.0	-48.91	289.53	1.71	-47.20
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCOCC1C1=N[N-]N=N1	REAL300019847236	0	39	-1.0	-55.39	322.13	4.90	-50.49
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCOCC1C1=NN=N[N-]1	REAL300019847236	1	39	-1.0	-55.41	322.20	4.92	-50.49
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019847237	0	38	-1.0	-59.70	336.81	4.83	-54.87
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019847237	1	38	-1.0	-59.72	336.88	4.84	-54.88
CC1=CC=C2OC=C(CC(=O)N3CCOCC3C3=N[N-]N=N3)C2=C1	REAL300019847238	0	40	-1.0	-56.24	329.40	3.67	-52.57
CC1=CC=C2OC=C(CC(=O)N3CCOCC3C3=NN=N[N-]3)C2=C1	REAL300019847238	1	40	-1.0	-56.22	329.47	3.68	-52.54
COC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019847239	0	38	-1.0	-57.33	312.25	2.44	-54.89
COC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019847239	1	38	-1.0	-57.35	312.32	2.44	-54.91
CCCC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019847240	0	43	-1.0	-50.73	351.61	5.01	-45.72
CCCC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019847240	1	43	-1.0	-50.71	351.68	5.02	-45.69
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)N1C1=NN(C)C=C1	REAL300019847241	0	45	-1.0	-63.92	360.27	4.10	-59.82
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)N1C1=NN(C)C=C1	REAL300019847241	1	45	-1.0	-63.91	360.22	4.09	-59.82
CC(C)C1=NC=CN1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847242	0	40	-1.0	-57.73	322.29	2.50	-55.23
CC(C)C1=NC=CN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847242	1	40	-1.0	-57.77	322.36	2.52	-55.25
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847242	1	41	0.0	-53.50	321.09	3.11	-50.39
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847243	0	51	-1.0	-53.15	383.81	0.13	-53.02
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847243	1	51	-1.0	-53.09	383.87	0.14	-52.95
O=C(C1CN(C2CCOC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847244	0	41	-1.0	-50.39	317.45	-2.24	-52.63
O=C(C1C[NH+](C2CCOC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847244	1	42	0.0	-66.66	319.43	0.62	-66.04
O=C(C1CN(C2CCOC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847244	1	41	-1.0	-50.39	317.52	-2.22	-52.61
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847245	0	41	-1.0	-54.43	336.11	5.04	-49.39
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847245	1	41	-1.0	-54.41	336.18	5.05	-49.36
O=C(CN1CSCCSC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847246	0	38	-1.0	-52.87	314.16	0.59	-52.28
O=C(CN1CSCCSC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847246	1	38	-1.0	-52.86	314.22	0.60	-52.26
O=C(CCC(=O)N1CCOCC1C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300019847247	0	39	-1.0	-54.32	329.04	3.33	-50.99
O=C(CCC(=O)N1CCOCC1C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300019847247	1	39	-1.0	-54.35	329.11	3.34	-51.01
O=C(C1=CN=C2COCCN12)N1CCOCC1C1=N[N-]N=N1	REAL300019847248	0	36	-1.0	-52.14	287.76	-0.73	-52.87
O=C(C1=CN=C2COCCN12)N1CCOCC1C1=NN=N[N-]1	REAL300019847248	1	36	-1.0	-52.17	287.83	-0.72	-52.89
N#CC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CCOCC1	REAL300019847249	0	39	-1.0	-58.94	304.35	0.29	-58.65
N#CC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CCOCC1	REAL300019847249	1	39	-1.0	-58.97	304.41	0.30	-58.67
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847250	0	47	-1.0	-61.73	374.77	2.75	-58.98
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847250	1	47	-1.0	-61.75	374.84	2.77	-58.98
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847251	0	52	-1.0	-68.60	392.72	0.54	-68.06
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847251	1	52	-1.0	-68.56	392.78	0.57	-67.99
O=C(C1CC(=O)NC2CCCCC21)N1CCOCC1C1=N[N-]N=N1	REAL300019847252	0	45	-1.0	-62.38	326.72	0.48	-61.90
O=C(C1CC(=O)NC2CCCCC21)N1CCOCC1C1=NN=N[N-]1	REAL300019847252	1	45	-1.0	-62.40	326.78	0.48	-61.92
N#CC1=CN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019847253	0	34	-2.0	-115.57	305.96	-2.89	-118.46
N#CC1=CN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019847253	1	34	-2.0	-115.57	306.03	-2.87	-118.44
O=C(C1C[NH+](C2CCOCC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847254	0	45	0.0	-66.74	339.08	1.29	-65.45
O=C(C1C[NH+](C2CCOCC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847254	1	45	0.0	-66.76	339.01	1.28	-65.48
O=C(CC1=CC=C(Br)C(O)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847255	0	35	-1.0	-54.37	311.13	0.49	-53.88
O=C(CC1=CC=C(Br)C(O)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847255	1	35	-1.0	-54.41	311.20	0.50	-53.91
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847256	0	48	-1.0	-56.65	377.99	-2.30	-58.95
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847256	1	48	-1.0	-56.68	378.05	-2.30	-58.98
N#CC1=CN(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019847257	0	37	-2.0	-96.83	327.44	-2.41	-99.24
N#CC1=CN(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019847257	1	37	-2.0	-96.81	327.51	-2.40	-99.21
COC1=CC=C(CN2CCC2C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847258	0	47	-1.0	-60.90	370.44	0.58	-60.32
COC1=CC=C(CN2CCC2C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847258	1	47	-1.0	-60.86	370.52	0.59	-60.27
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847259	0	42	-1.0	-50.17	331.55	0.51	-49.66
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847259	1	42	-1.0	-50.15	331.48	0.52	-49.63
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847260	0	39	-1.0	-59.46	318.30	-0.74	-60.20
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847260	1	39	-1.0	-59.49	318.24	-0.77	-60.26
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847260	1	38	-2.0	-135.41	314.75	0.21	-135.20
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847260	1	38	-2.0	-135.38	314.68	0.20	-135.18
CN(CCC1=CC=CC=C1)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847261	0	45	-1.0	-52.17	352.62	2.52	-49.65
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847261	1	46	0.0	-58.82	354.48	4.83	-53.99
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847261	1	46	0.0	-58.96	354.50	4.82	-54.14
CN(CCC1=CC=CC=C1)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847261	1	45	-1.0	-52.14	352.69	2.54	-49.60
COCCOCC[N@H+](C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847262	0	50	0.0	-63.66	383.39	1.06	-62.60
COCCOCC[N@@H+](C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847262	1	50	0.0	-64.99	383.91	1.02	-63.97
COCCOCC[N@H+](C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847262	1	50	0.0	-63.68	383.46	1.09	-62.59
COCCOCC[N@@H+](C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847262	1	50	0.0	-64.97	383.97	1.03	-63.94
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1CSCCSC1	REAL300019847263	0	41	-1.0	-52.16	321.43	0.61	-51.55
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1CSCCSC1	REAL300019847263	1	41	-1.0	-52.16	321.49	0.62	-51.54
O=C(CCN1CSCCSC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847264	0	41	-1.0	-53.12	333.67	0.74	-52.38
O=C(CCN1CSCCSC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847264	1	41	-1.0	-53.13	333.74	0.77	-52.36
NC(=O)C1=CN(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)NC1=O	REAL300019847265	0	41	-1.0	-53.85	342.05	-3.80	-57.65
NC(=O)C1=CN(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)NC1=O	REAL300019847265	1	41	-1.0	-53.81	342.10	-3.78	-57.59
O=C(C1CC2=C(Cl)C=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019847266	0	35	-1.0	-52.89	301.58	3.65	-49.24
O=C(C1CC2=C(Cl)C=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019847266	1	35	-1.0	-52.93	301.63	3.66	-49.27
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847267	0	36	-1.0	-61.79	309.73	1.62	-60.17
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847267	1	36	-1.0	-61.81	309.80	1.63	-60.18
O=C(C1CCC2=CC=CC=C2CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847268	0	44	-1.0	-54.83	331.28	4.63	-50.20
O=C(C1CCC2=CC=CC=C2CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847268	1	44	-1.0	-54.81	331.32	4.65	-50.16
O=C(CC(C1CCC1)C1CCC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847269	0	47	-1.0	-52.84	344.27	5.00	-47.84
O=C(CC(C1CCC1)C1CCC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847269	1	47	-1.0	-52.82	344.32	5.00	-47.82
CC1=CC=C(COC(C)C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847270	0	44	-1.0	-58.84	350.99	4.02	-54.82
CC1=CC=C(COC(C)C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847270	1	44	-1.0	-58.86	351.06	4.03	-54.83
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCOCC1C1=N[N-]N=N1	REAL300019847271	0	34	-1.0	-51.37	313.26	3.61	-47.76
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCOCC1C1=NN=N[N-]1	REAL300019847271	1	34	-1.0	-51.39	313.34	3.63	-47.76
O=C(C1C2CCCCCCC21)N1CCOCC1C1=N[N-]N=N1	REAL300019847272	0	44	-1.0	-53.64	312.43	3.64	-50.00
O=C(C1C2CCCCCCC21)N1CCOCC1C1=NN=N[N-]1	REAL300019847272	1	44	-1.0	-53.64	312.48	3.66	-49.98
O=C(C1=CC2=NN=NN2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847273	0	32	-1.0	-56.95	269.53	-0.27	-57.22
O=C(C1=CC2=NN=NN2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847273	1	32	-1.0	-56.93	269.46	-0.28	-57.21
O=C(C1CCC(C2CC2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847274	0	44	-1.0	-52.95	329.58	4.12	-48.83
O=C(C1CCC(C2CC2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847274	1	44	-1.0	-52.98	329.63	4.12	-48.86
O=C(C1=C2SC=CC2=NC=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847275	0	32	-1.0	-51.04	282.20	1.64	-49.40
O=C(C1=C2SC=CC2=NC=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847275	1	32	-1.0	-51.02	282.13	1.63	-49.39
CCCCCCCCC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847276	0	51	-1.0	-52.81	386.36	5.47	-47.34
CCCCCCCCC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847276	1	51	-1.0	-52.81	386.43	5.48	-47.33
CC(C)(C)OC(=O)NC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019847277	0	48	-1.0	-48.88	374.78	0.65	-48.23
CC(C)(C)OC(=O)NC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019847277	1	48	-1.0	-48.91	374.84	0.65	-48.26
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847278	0	54	-1.0	-69.05	402.51	3.61	-65.44
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847278	1	54	-1.0	-69.05	402.57	3.63	-65.42
O=C(C1CCC2CCCC[N@@H+]21)N1CCOCC1C1=NN=N[N-]1	REAL300019847279	0	44	0.0	-56.59	314.85	2.86	-53.73
O=C(C1CCC2CCCC[N@H+]21)N1CCOCC1C1=NN=N[N-]1	REAL300019847279	1	44	0.0	-54.56	320.64	3.12	-51.44
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847280	0	42	-1.0	-64.33	355.16	2.33	-62.00
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847280	1	42	-1.0	-64.34	355.11	2.33	-62.01
COC1=CC=C(CNC(=O)C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847281	0	46	-1.0	-51.14	381.50	0.95	-50.19
COC1=CC=C(CNC(=O)C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847281	1	46	-1.0	-51.19	381.57	0.97	-50.22
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847282	0	35	-1.0	-53.56	319.12	3.65	-49.91
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847282	1	35	-1.0	-53.60	319.19	3.68	-49.92
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847283	0	39	-1.0	-57.18	326.02	2.79	-54.39
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847283	1	39	-1.0	-57.22	326.09	2.81	-54.41
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847284	0	35	-1.0	-47.55	314.79	1.93	-45.62
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847284	1	35	-1.0	-47.55	314.87	1.94	-45.61
COC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1Br	REAL300019847285	0	35	-1.0	-52.08	302.76	1.54	-50.54
COC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1Br	REAL300019847285	1	35	-1.0	-52.06	302.83	1.54	-50.52
O=C(C1C2CC3=CC=CC=C3C21)N1CCOCC1C1=N[N-]N=N1	REAL300019847286	0	39	-1.0	-52.25	306.16	4.36	-47.89
O=C(C1C2CC3=CC=CC=C3C21)N1CCOCC1C1=NN=N[N-]1	REAL300019847286	1	39	-1.0	-52.26	306.23	4.36	-47.90
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300019847287	0	38	-1.0	-50.20	318.87	2.13	-48.07
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300019847287	1	38	-1.0	-50.23	318.94	2.14	-48.09
O=C(C1COC2=CC(F)=CC=C2C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847288	0	39	-1.0	-47.84	312.71	2.54	-45.30
O=C(C1COC2=CC(F)=CC=C2C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847288	1	39	-1.0	-47.86	312.77	2.56	-45.30
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL300019847289	0	37	-1.0	-55.19	319.22	-1.88	-57.07
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL300019847289	1	37	-1.0	-55.22	319.15	-1.88	-57.10
CC1=CC=CC=C1COC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847290	0	44	-1.0	-60.73	346.26	4.09	-56.64
CC1=CC=CC=C1COC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847290	1	44	-1.0	-60.73	346.33	4.12	-56.61
CSC1=CC(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019847291	0	35	-1.0	-50.06	297.70	1.75	-48.31
CSC1=CC(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019847291	1	35	-1.0	-50.02	297.77	1.75	-48.27
CC(C)C1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847292	0	40	-1.0	-56.86	312.92	3.48	-53.38
CC(C)C1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847292	1	40	-1.0	-56.85	312.98	3.49	-53.36
O=C(C1=CSC(C(F)(F)F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847293	0	31	-1.0	-54.09	283.88	1.77	-52.32
O=C(C1=CSC(C(F)(F)F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847293	1	31	-1.0	-54.10	283.95	1.79	-52.31
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847294	0	44	-1.0	-54.15	337.13	4.86	-49.29
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847294	1	44	-1.0	-54.13	337.20	4.88	-49.25
COCCCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019847295	0	41	-1.0	-53.41	333.11	0.05	-53.36
COCCCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019847295	1	41	-1.0	-53.42	333.04	0.04	-53.38
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NN1C1CCOCC1	REAL300019847296	0	45	-1.0	-56.37	351.06	1.70	-54.67
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NN1C1CCOCC1	REAL300019847296	1	45	-1.0	-56.34	351.12	1.71	-54.63
CN1C=C(N2CC(C(=O)N3CCOCC3C3=NN=N[N-]3)CC2=O)C=N1	REAL300019847297	0	42	-1.0	-53.57	337.62	0.56	-53.01
CN1C=C(N2CC(C(=O)N3CCOCC3C3=N[N-]N=N3)CC2=O)C=N1	REAL300019847297	1	42	-1.0	-53.53	337.55	0.57	-52.96
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=NC=C1	REAL300019847298	0	39	-1.0	-51.24	310.24	2.14	-49.10
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=NC=C1	REAL300019847298	1	39	-1.0	-51.29	310.31	2.16	-49.13
O=C(C1=C2C=CSC2=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847299	0	33	-1.0	-53.08	280.93	1.06	-52.02
O=C(C1=C2C=CSC2=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847299	1	33	-1.0	-53.08	280.87	1.04	-52.04
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847300	0	38	-1.0	-58.82	336.98	3.89	-54.93
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847300	1	38	-1.0	-58.81	337.04	3.92	-54.89
COC1=CC=C(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C(Br)=C1	REAL300019847301	0	41	-1.0	-51.55	347.12	3.19	-48.36
COC1=CC=C(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C(Br)=C1	REAL300019847301	1	41	-1.0	-51.53	347.19	3.20	-48.33
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847302	0	40	-1.0	-58.26	330.57	2.00	-56.26
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847302	1	40	-1.0	-58.30	330.51	1.99	-56.31
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCOCC1C1=N[N-]N=N1	REAL300019847303	0	37	-1.0	-51.07	331.35	4.05	-47.02
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCOCC1C1=NN=N[N-]1	REAL300019847303	1	37	-1.0	-51.03	331.42	4.07	-46.96
O=C(C1=C(Br)N=C2COCCN21)N1CCOCC1C1=N[N-]N=N1	REAL300019847304	0	36	-1.0	-52.58	315.58	0.07	-52.51
O=C(C1=C(Br)N=C2COCCN21)N1CCOCC1C1=NN=N[N-]1	REAL300019847304	1	36	-1.0	-52.58	315.65	0.07	-52.51
CC1=CC=CC=C1COCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847305	0	41	-1.0	-60.34	330.81	3.62	-56.72
CC1=CC=CC=C1COCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847305	1	41	-1.0	-60.31	330.87	3.62	-56.69
CC1=CC=CC(COCC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847306	0	41	-1.0	-58.13	335.97	3.59	-54.54
CC1=CC=CC(COCC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847306	1	41	-1.0	-58.10	336.04	3.60	-54.50
O=C(C1=C2SC=CC2=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847307	0	33	-1.0	-56.64	286.71	2.01	-54.63
O=C(C1=C2SC=CC2=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847307	1	33	-1.0	-56.62	286.64	1.99	-54.63
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847308	0	42	-1.0	-58.64	343.71	3.00	-55.64
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847308	1	42	-1.0	-58.63	343.77	3.01	-55.62
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCOCC1C1=N[N-]N=N1	REAL300019847309	0	40	-1.0	-71.01	309.44	0.82	-70.19
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCOCC1C1=NN=N[N-]1	REAL300019847309	1	40	-1.0	-71.03	309.51	0.81	-70.22
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019847310	0	37	-2.0	-98.16	322.16	-2.39	-100.55
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019847310	1	37	-2.0	-98.17	322.09	-2.41	-100.58
CS(=O)(=O)NC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019847310	1	38	-1.0	-58.62	322.23	-2.25	-60.87
CS(=O)(=O)NC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019847310	1	38	-1.0	-58.62	322.16	-2.26	-60.88
O=C(CN1C=CC(C(F)F)=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847311	0	34	-1.0	-60.03	294.99	0.88	-59.15
O=C(CN1C=CC(C(F)F)=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847311	1	34	-1.0	-60.02	295.06	0.91	-59.11
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019847312	0	37	-1.0	-51.81	310.10	1.00	-50.81
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019847312	1	37	-1.0	-51.80	310.03	0.98	-50.82
CC1=CN2C=CN=C2C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847313	0	37	-1.0	-57.99	299.11	3.27	-54.72
CC1=CN2C=CN=C2C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847313	1	37	-1.0	-57.98	299.18	3.30	-54.68
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847314	0	34	-1.0	-48.15	308.17	1.75	-46.40
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847314	1	34	-1.0	-48.16	308.10	1.73	-46.43
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847315	0	42	-1.0	-49.45	330.64	0.83	-48.62
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847315	1	42	-1.0	-49.45	330.56	0.83	-48.62
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847316	0	37	-1.0	-51.94	342.03	3.89	-48.05
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847316	1	37	-1.0	-51.92	341.96	3.88	-48.04
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847317	0	48	-1.0	-63.10	371.75	0.63	-62.47
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847317	1	48	-1.0	-63.13	371.82	0.63	-62.50
CC1=CC=C(COCC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847318	0	41	-1.0	-58.23	335.63	3.62	-54.61
CC1=CC=C(COCC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847318	1	41	-1.0	-58.23	335.70	3.64	-54.59
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCOCC1C1=N[N-]N=N1	REAL300019847319	0	34	-1.0	-49.92	295.98	0.85	-49.07
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCOCC1C1=NN=N[N-]1	REAL300019847319	1	34	-1.0	-49.88	296.04	0.88	-49.00
O=C(C1=CC(C(F)F)=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019847320	0	34	-1.0	-60.22	292.01	2.57	-57.65
O=C(C1=CC(C(F)F)=CC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019847320	1	34	-1.0	-60.20	292.08	2.60	-57.60
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847321	0	45	-1.0	-54.14	349.20	2.78	-51.36
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847321	1	45	-1.0	-54.16	349.27	2.79	-51.37
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847322	0	38	-1.0	-57.58	319.59	2.73	-54.85
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847322	1	38	-1.0	-57.57	319.53	2.71	-54.86
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCOCC1C1=NN=N[N-]1	REAL300019847323	0	33	-1.0	-52.80	301.94	1.60	-51.20
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCOCC1C1=N[N-]N=N1	REAL300019847323	1	33	-1.0	-52.77	301.86	1.59	-51.18
COC1=CC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=CC(OC)=C1O	REAL300019847324	0	46	-1.0	-52.96	370.97	0.46	-52.50
COC1=CC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=CC(OC)=C1O	REAL300019847324	1	46	-1.0	-52.97	371.03	0.48	-52.49
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCOCC1C1=N[N-]N=N1	REAL300019847325	0	41	-1.0	-53.21	337.54	1.91	-51.30
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCOCC1C1=NN=N[N-]1	REAL300019847325	1	41	-1.0	-53.23	337.61	1.92	-51.31
COC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1C	REAL300019847326	0	38	-1.0	-55.07	300.95	1.78	-53.29
COC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1C	REAL300019847326	1	38	-1.0	-55.07	301.00	1.79	-53.28
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847327	0	47	-1.0	-52.78	371.92	5.22	-47.56
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847327	1	47	-1.0	-52.74	371.85	5.21	-47.53
CCC1=CNC(=O)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847328	0	37	-1.0	-62.39	299.41	0.02	-62.37
CCC1=CNC(=O)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847328	1	37	-1.0	-62.39	299.48	0.04	-62.35
O=C(C(O)CC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847329	0	38	-1.0	-51.13	306.87	1.17	-49.96
O=C(C(O)CC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847329	1	38	-1.0	-51.16	306.93	1.18	-49.98
CC1=CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=CC(C)=C1	REAL300019847330	0	40	-1.0	-52.98	322.51	3.99	-48.99
CC1=CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=CC(C)=C1	REAL300019847330	1	40	-1.0	-52.99	322.58	4.01	-48.98
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847331	0	41	-1.0	-50.01	346.38	1.94	-48.07
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847331	1	41	-1.0	-50.03	346.31	1.92	-48.11
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847332	0	43	-1.0	-57.47	330.72	2.12	-55.35
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847332	1	43	-1.0	-57.45	330.79	2.15	-55.30
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847333	0	34	-1.0	-54.05	305.00	1.86	-52.19
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847333	1	34	-1.0	-54.03	304.95	1.85	-52.18
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847334	0	41	-1.0	-52.77	346.81	1.85	-50.92
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847334	1	41	-1.0	-52.77	346.74	1.83	-50.94
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847335	0	42	-1.0	-58.72	337.62	2.04	-56.68
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847335	1	42	-1.0	-58.75	337.68	2.05	-56.70
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847336	0	42	-1.0	-54.89	338.83	2.08	-52.81
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847336	1	42	-1.0	-54.93	338.91	2.10	-52.83
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847337	0	35	-1.0	-53.72	288.99	-0.77	-54.49
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847337	1	35	-1.0	-53.71	289.05	-0.76	-54.47
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847338	0	37	-1.0	-62.78	320.65	3.12	-59.66
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847338	1	37	-1.0	-62.78	320.57	3.11	-59.67
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCOCC3C3=N[N-]N=N3)[C@@H]2C1	REAL300019847339	0	52	-1.0	-55.98	394.58	3.23	-52.75
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCOCC3C3=NN=N[N-]3)[C@@H]2C1	REAL300019847339	1	52	-1.0	-55.94	394.65	3.25	-52.69
COC(=O)C=CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019847340	0	38	-1.0	-51.01	326.86	2.12	-48.89
COC(=O)C=CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019847340	1	38	-1.0	-51.01	326.92	2.15	-48.86
CC(C)(C)C1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847341	0	47	-1.0	-53.77	364.58	5.58	-48.19
CC(C)(C)C1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847341	1	47	-1.0	-53.78	364.65	5.58	-48.20
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847342	0	57	-1.0	-52.69	425.32	4.29	-48.40
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847342	1	57	-1.0	-52.73	425.39	4.30	-48.43
CCN1N=CC(Cl)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847343	0	34	-1.0	-48.44	299.74	1.07	-47.37
CCN1N=CC(Cl)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847343	1	34	-1.0	-48.46	299.68	1.05	-47.41
COC(=O)C1=C(C)C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019847344	0	37	-1.0	-46.98	310.53	1.50	-45.48
COC(=O)C1=C(C)C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019847344	1	37	-1.0	-46.99	310.59	1.52	-45.47
COC(=O)C1=CN(CC(=O)N2CCOCC2C2=NN=N[N-]2)N=C1	REAL300019847345	0	37	-1.0	-60.55	316.74	0.75	-59.80
COC(=O)C1=CN(CC(=O)N2CCOCC2C2=N[N-]N=N2)N=C1	REAL300019847345	1	37	-1.0	-60.58	316.67	0.72	-59.86
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847346	0	56	-1.0	-48.31	415.06	2.02	-46.29
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847346	1	56	-1.0	-48.32	415.10	2.04	-46.28
C[C@@H](CC(=O)N1CCOCC1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019847347	0	47	-1.0	-61.01	365.56	0.74	-60.27
C[C@@H](CC(=O)N1CCOCC1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019847347	1	47	-1.0	-60.96	365.62	0.75	-60.21
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847348	0	49	-1.0	-56.37	376.75	1.12	-55.25
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847348	1	49	-1.0	-56.38	376.80	1.14	-55.24
NC(=O)C1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019847349	0	36	-1.0	-53.14	311.16	-1.75	-54.89
NC(=O)C1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019847349	1	36	-1.0	-53.16	311.24	-1.74	-54.90
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL300019847350	0	36	-1.0	-52.85	310.22	-4.25	-57.10
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL300019847350	1	36	-1.0	-52.82	310.27	-4.22	-57.04
CSC1=CC=C(O)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847351	0	36	-1.0	-54.64	302.30	0.76	-53.88
CSC1=CC=C(O)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847351	1	36	-1.0	-54.65	302.38	0.78	-53.87
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847352	0	35	-1.0	-48.62	299.02	0.24	-48.38
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847352	1	35	-1.0	-48.60	299.07	0.24	-48.36
CC1=CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300019847353	0	48	-1.0	-58.39	386.24	6.64	-51.75
CC1=CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300019847353	1	48	-1.0	-58.39	386.31	6.67	-51.72
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCOCC4C4=NN=N[N-]4)=CC=C32)=C1	REAL300019847354	0	47	-1.0	-62.48	380.82	6.88	-55.60
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCOCC4C4=N[N-]N=N4)=CC=C32)=C1	REAL300019847354	1	47	-1.0	-62.46	380.75	6.86	-55.60
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C21	REAL300019847355	0	39	-1.0	-45.83	331.69	1.23	-44.60
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C21	REAL300019847355	1	39	-1.0	-45.82	331.64	1.22	-44.60
O=C(C1CCC2=CC(F)=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019847356	0	38	-1.0	-52.82	308.94	3.68	-49.14
O=C(C1CCC2=CC(F)=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019847356	1	38	-1.0	-52.85	309.02	3.69	-49.16
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C	REAL300019847357	0	44	-1.0	-55.20	345.12	5.18	-50.02
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C	REAL300019847357	1	44	-1.0	-55.22	345.19	5.19	-50.03
CCOCCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019847358	0	41	-1.0	-51.78	333.47	0.24	-51.54
CCOCCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019847358	1	41	-1.0	-51.76	333.40	0.23	-51.53
O=C(C1CCCC1CC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847359	0	47	-1.0	-54.81	354.51	6.19	-48.62
O=C(C1CCCC1CC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847359	1	47	-1.0	-54.80	354.58	6.19	-48.61
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847360	0	44	-1.0	-54.04	355.25	4.05	-49.99
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847360	1	44	-1.0	-54.01	355.18	4.03	-49.98
CCOC1=CC=CC(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847361	0	42	-1.0	-57.26	339.92	3.40	-53.86
CCOC1=CC=CC(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847361	1	42	-1.0	-57.26	339.99	3.43	-53.83
COC1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847362	0	39	-1.0	-55.00	317.90	2.57	-52.43
COC1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847362	1	39	-1.0	-55.02	317.97	2.57	-52.45
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847363	0	34	-1.0	-51.95	302.29	3.23	-48.72
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847363	1	34	-1.0	-51.96	302.36	3.24	-48.72
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847364	0	38	-1.0	-53.02	332.55	2.85	-50.17
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847364	1	38	-1.0	-53.02	332.61	2.86	-50.16
CC(=CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CS1	REAL300019847365	0	35	-1.0	-49.58	296.82	3.08	-46.50
CC(=CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CS1	REAL300019847365	1	35	-1.0	-49.56	296.89	3.10	-46.46
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847366	0	48	-1.0	-53.32	378.48	1.70	-51.62
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847366	1	48	-1.0	-53.33	378.55	1.71	-51.62
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847367	0	41	-1.0	-57.44	327.90	0.54	-56.90
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847367	1	41	-1.0	-57.43	327.84	0.51	-56.92
CCOCCOCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847368	0	44	-1.0	-59.11	352.24	0.71	-58.40
CCOCCOCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847368	1	44	-1.0	-59.10	352.31	0.73	-58.37
O=C(N1CCOCC1C1=N[N-]N=N1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019847369	0	40	-1.0	-56.51	341.42	2.19	-54.32
O=C(N1CCOCC1C1=NN=N[N-]1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019847369	1	40	-1.0	-56.46	341.49	2.19	-54.27
COC1=CC=CC(C(OC)C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847370	0	42	-1.0	-55.33	335.43	1.71	-53.62
COC1=CC=CC(C(OC)C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847370	1	42	-1.0	-55.32	335.48	1.72	-53.60
COCCOCCOCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847371	0	48	-1.0	-60.34	385.87	0.07	-60.27
COCCOCCOCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847371	1	48	-1.0	-60.37	385.94	0.09	-60.28
COC1=CC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2C=C1OC	REAL300019847372	0	45	-1.0	-58.70	357.37	3.06	-55.64
COC1=CC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2C=C1OC	REAL300019847372	1	45	-1.0	-58.71	357.44	3.07	-55.64
CSC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(C)O1	REAL300019847373	0	35	-1.0	-50.05	300.29	1.73	-48.32
CSC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(C)O1	REAL300019847373	1	35	-1.0	-50.03	300.26	1.73	-48.30
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847374	0	43	-1.0	-67.56	328.31	0.80	-66.76
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847374	1	43	-1.0	-67.52	328.25	0.80	-66.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL300019847375	0	44	-2.0	-129.39	365.77	2.77	-126.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL300019847375	1	44	-2.0	-129.37	365.86	2.77	-126.60
CC(=O)NC1=CNC(=O)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847376	0	38	-1.0	-75.69	313.29	-2.35	-78.04
CC(=O)NC1=CNC(=O)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847376	1	38	-1.0	-75.71	313.36	-2.35	-78.06
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847377	0	37	-2.0	-120.93	310.21	1.35	-119.58
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847377	1	37	-2.0	-120.98	310.14	1.33	-119.65
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847377	1	37	-2.0	-122.42	310.77	1.37	-121.05
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847377	1	37	-2.0	-122.40	310.71	1.37	-121.03
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847378	0	34	-2.0	-86.03	296.14	-1.01	-87.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847378	1	34	-2.0	-86.06	296.07	-1.00	-87.06
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847378	1	34	-2.0	-86.05	296.21	-1.00	-87.05
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847378	1	34	-2.0	-86.04	296.14	-1.00	-87.04
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL300019847379	0	43	-1.0	-65.92	365.53	1.58	-64.34
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL300019847379	1	43	-1.0	-65.95	365.47	1.57	-64.38
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847380	0	37	-1.0	-46.05	341.55	-0.46	-46.51
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847380	1	37	-1.0	-46.07	341.48	-0.48	-46.55
O=C(C1=C(C(F)(F)F)C=NN1)N1CCOCC1C1=N[N-]N=N1	REAL300019847381	0	31	-1.0	-51.76	271.18	-0.43	-52.19
O=C(C1=C(C(F)(F)F)C=NN1)N1CCOCC1C1=NN=N[N-]1	REAL300019847381	1	31	-1.0	-51.76	271.25	-0.40	-52.16
O=C(CC1=CC(C2CC2)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL300019847382	0	37	-1.0	-57.98	306.79	2.36	-55.62
O=C(CC1=CC(C2CC2)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL300019847382	1	37	-1.0	-58.03	306.86	2.37	-55.66
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847383	0	37	-2.0	-107.60	314.11	-2.84	-110.44
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847383	1	37	-2.0	-107.63	314.18	-2.83	-110.46
CN1C=CC(NC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2)=N1	REAL300019847384	0	43	-1.0	-57.54	347.03	2.65	-54.89
CN1C=CC(NC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2)=N1	REAL300019847384	1	43	-1.0	-57.57	346.95	2.64	-54.93
CC1=NOC(C2(C(=O)N3CCOCC3C3=N[N-]N=N3)CC2)=C1	REAL300019847385	0	37	-1.0	-47.74	305.81	1.98	-45.76
CC1=NOC(C2(C(=O)N3CCOCC3C3=NN=N[N-]3)CC2)=C1	REAL300019847385	1	37	-1.0	-47.72	305.88	2.01	-45.71
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847386	0	45	-1.0	-50.49	351.50	1.70	-48.79
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847386	1	45	-1.0	-50.51	351.58	1.73	-48.78
O=C(C1CCCC2CCC[N@@H+]21)N1CCOCC1C1=NN=N[N-]1	REAL300019847387	0	44	0.0	-51.87	320.31	3.11	-48.76
O=C(C1CCCC2CCC[N@H+]21)N1CCOCC1C1=NN=N[N-]1	REAL300019847387	1	44	0.0	-55.72	308.27	2.50	-53.22
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019847388	0	42	-1.0	-49.54	331.50	-0.34	-49.88
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019847388	1	42	-1.0	-49.56	331.56	-0.32	-49.88
CN1C=NC2=CN=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C21	REAL300019847389	0	36	-1.0	-47.26	291.07	1.06	-46.20
CN1C=NC2=CN=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C21	REAL300019847389	1	36	-1.0	-47.29	291.12	1.07	-46.22
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(I)=NN1	REAL300019847390	0	31	-1.0	-50.32	288.88	-0.22	-50.54
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(I)=NN1	REAL300019847390	1	31	-1.0	-50.33	288.95	-0.21	-50.54
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847391	0	40	-1.0	-54.78	325.31	2.83	-51.95
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847391	1	40	-1.0	-54.74	325.39	2.85	-51.89
O=C(CCC1=NN=C(C2CC2)O1)N1CCOCC1C1=N[N-]N=N1	REAL300019847392	0	39	-1.0	-52.06	325.05	-1.96	-54.02
O=C(CCC1=NN=C(C2CC2)O1)N1CCOCC1C1=NN=N[N-]1	REAL300019847392	1	39	-1.0	-52.07	325.12	-1.96	-54.03
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847393	0	49	-1.0	-56.78	382.68	-1.71	-58.49
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847393	1	49	-1.0	-56.82	382.75	-1.68	-58.50
CC(=O)NC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=N1	REAL300019847394	0	37	-1.0	-56.54	304.70	0.23	-56.31
CC(=O)NC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=N1	REAL300019847394	1	37	-1.0	-56.56	304.63	0.21	-56.35
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847395	0	51	-1.0	-52.68	383.06	4.31	-48.37
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847395	1	51	-1.0	-52.67	383.11	4.33	-48.34
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847396	0	40	-1.0	-57.84	331.49	4.66	-53.18
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847396	1	40	-1.0	-57.84	331.42	4.65	-53.19
O=C(C1=NC=C2C(F)=CC=CN21)N1CCOCC1C1=NN=N[N-]1	REAL300019847397	0	34	-1.0	-50.20	285.90	3.08	-47.12
O=C(C1=NC=C2C(F)=CC=CN21)N1CCOCC1C1=N[N-]N=N1	REAL300019847397	1	34	-1.0	-50.22	285.84	3.05	-47.17
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019847398	0	38	-1.0	-55.21	332.99	3.34	-51.87
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019847398	1	38	-1.0	-55.23	333.06	3.36	-51.87
O=C(C=CC=C(Cl)Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019847399	0	29	-1.0	-52.85	275.63	1.88	-50.97
O=C(C=CC=C(Cl)Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019847399	1	29	-1.0	-52.82	275.69	1.89	-50.93
CN1CCCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL300019847400	0	41	-1.0	-39.91	291.61	0.90	-39.01
CN1CCCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL300019847400	1	41	-1.0	-39.94	291.68	0.92	-39.02
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847401	0	39	-1.0	-58.15	329.91	1.82	-56.33
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847401	1	39	-1.0	-58.22	329.98	1.84	-56.38
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847402	0	42	-1.0	-59.52	326.99	-2.14	-61.66
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847402	1	42	-1.0	-59.52	327.06	-2.12	-61.64
NC1=C2N=CN(CCC(=O)N3CCOCC3C3=NN=N[N-]3)C2=NC=N1	REAL300019847403	0	40	-1.0	-52.27	333.71	2.02	-50.25
NC1=C2N=CN(CCC(=O)N3CCOCC3C3=N[N-]N=N3)C2=NC=N1	REAL300019847403	1	40	-1.0	-52.26	333.64	2.02	-50.24
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCOCC1C1=N[N-]N=N1	REAL300019847404	0	36	-1.0	-54.45	312.74	-1.96	-56.41
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCOCC1C1=NN=N[N-]1	REAL300019847404	1	36	-1.0	-54.44	312.81	-1.94	-56.38
O=C(C1=CNN=C1I)N1CCOCC1C1=N[N-]N=N1	REAL300019847405	0	28	-1.0	-54.15	259.43	-1.05	-55.20
O=C(C1=CNN=C1I)N1CCOCC1C1=NN=N[N-]1	REAL300019847405	1	28	-1.0	-54.12	259.50	-1.02	-55.14
O=C(CC=CCC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847406	0	41	-1.0	-55.12	335.73	4.86	-50.26
O=C(CC=CCC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847406	1	41	-1.0	-55.10	335.79	4.87	-50.23
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL300019847407	0	34	-1.0	-53.68	297.12	-3.48	-57.16
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL300019847407	1	34	-1.0	-53.65	297.19	-3.45	-57.10
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847408	0	53	-1.0	-50.29	394.98	0.32	-49.97
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847408	1	53	-1.0	-50.30	395.05	0.34	-49.96
C#CCN(CC(=O)N1CCOCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019847409	0	46	-1.0	-57.33	372.72	3.21	-54.12
C#CCN(CC(=O)N1CCOCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019847409	1	46	-1.0	-57.35	372.79	3.23	-54.12
O=C(CC1CCCS1(=O)=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847410	0	37	-1.0	-73.79	301.06	-1.48	-75.27
O=C(CC1CCCS1(=O)=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847410	1	37	-1.0	-73.78	301.13	-1.46	-75.24
CC1=CC=C(C(=O)C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847411	0	40	-1.0	-50.03	332.53	3.73	-46.30
CC1=CC=C(C(=O)C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847411	1	40	-1.0	-50.04	332.60	3.75	-46.29
O=C(C1=CC=C2NC=NC2=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019847412	0	34	-1.0	-72.12	283.59	1.30	-70.82
O=C(C1=CC=C2NC=NC2=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019847412	1	34	-1.0	-72.08	283.53	1.27	-70.81
NC1=NN=NN1C1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847413	0	38	-1.0	-68.81	314.02	1.49	-67.32
NC1=NN=NN1C1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847413	1	38	-1.0	-68.81	313.95	1.48	-67.33
CCN1C(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN=C1Br	REAL300019847414	0	34	-1.0	-47.53	294.95	1.36	-46.17
CCN1C(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN=C1Br	REAL300019847414	1	34	-1.0	-47.53	294.88	1.35	-46.18
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847415	0	34	-1.0	-59.68	293.05	-0.30	-59.98
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847415	1	34	-1.0	-59.68	293.11	-0.30	-59.98
O=C(NC(CO)C(=O)N1CCOCC1C1=N[N-]N=N1)OCC1=CC=CC=C1	REAL300019847416	0	46	-1.0	-54.16	378.40	-2.01	-56.17
O=C(NC(CO)C(=O)N1CCOCC1C1=NN=N[N-]1)OCC1=CC=CC=C1	REAL300019847416	1	46	-1.0	-54.14	378.47	-2.01	-56.15
O=C(C1=CC=CN2N=NN=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019847417	0	32	-1.0	-53.44	267.32	-0.16	-53.60
O=C(C1=CC=CN2N=NN=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019847417	1	32	-1.0	-53.45	267.24	-0.17	-53.62
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847418	0	34	-1.0	-48.23	300.62	2.73	-45.50
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847418	1	34	-1.0	-48.23	300.55	2.71	-45.52
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCOCC1C1=N[N-]N=N1)=NO2	REAL300019847419	0	50	-1.0	-48.31	396.20	0.94	-47.37
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCOCC1C1=NN=N[N-]1)=NO2	REAL300019847419	1	50	-1.0	-48.33	396.27	0.95	-47.38
CN1N=C(I)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847420	0	31	-1.0	-46.29	281.10	0.34	-45.95
CN1N=C(I)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847420	1	31	-1.0	-46.24	281.03	0.33	-45.91
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019847421	0	54	-1.0	-60.85	406.04	1.87	-58.98
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019847421	1	54	-1.0	-60.90	406.11	1.87	-59.03
CC(=CC1=CC=C(Br)O1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847422	0	35	-1.0	-50.31	300.32	2.42	-47.89
CC(=CC1=CC=C(Br)O1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847422	1	35	-1.0	-50.27	300.38	2.45	-47.82
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847423	0	41	-1.0	-60.22	355.05	2.53	-57.69
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847423	1	41	-1.0	-60.23	354.98	2.51	-57.72
O=CC1=CC=C(F)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847424	0	33	-1.0	-60.27	281.09	1.37	-58.90
O=CC1=CC=C(F)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847424	1	33	-1.0	-60.29	281.16	1.40	-58.89
O=CC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847425	0	36	-1.0	-54.74	303.42	2.38	-52.36
O=CC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847425	1	36	-1.0	-54.80	303.49	2.39	-52.41
O=CC1=CNC2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CC=C12	REAL300019847426	0	37	-1.0	-61.04	306.12	1.39	-59.65
O=CC1=CNC2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC=C12	REAL300019847426	1	37	-1.0	-60.98	306.05	1.37	-59.61
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1C	REAL300019847427	0	50	-1.0	-63.00	403.75	6.16	-56.84
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1C	REAL300019847427	1	50	-1.0	-62.98	403.82	6.16	-56.82
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847428	0	47	-1.0	-63.86	380.23	5.16	-58.70
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847428	1	47	-1.0	-63.86	380.30	5.18	-58.68
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847429	0	50	-1.0	-57.75	408.28	6.40	-51.35
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847429	1	50	-1.0	-57.76	408.35	6.41	-51.35
O=CC1=CC(Br)=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847430	0	33	-1.0	-48.36	297.73	1.89	-46.47
O=CC1=CC(Br)=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847430	1	33	-1.0	-48.37	297.80	1.91	-46.46
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847431	0	38	-1.0	-48.91	309.78	-2.77	-51.68
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847431	1	38	-1.0	-48.89	309.72	-2.78	-51.67
O=C(C1=CN=C2SC=CC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847432	0	33	-1.0	-51.24	284.73	0.97	-50.27
O=C(C1=CN=C2SC=CC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847432	1	33	-1.0	-51.21	284.66	0.95	-50.26
O=C(CC(F)(F)C(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019847433	0	30	-1.0	-53.36	269.66	0.98	-52.38
O=C(CC(F)(F)C(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019847433	1	30	-1.0	-53.35	269.73	1.00	-52.35
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCOCC1C1=NN=N[N-]1	REAL300019847434	0	33	-1.0	-50.58	294.37	1.16	-49.42
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCOCC1C1=N[N-]N=N1	REAL300019847434	1	33	-1.0	-50.58	294.31	1.14	-49.44
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847435	0	45	-1.0	-64.13	370.38	1.05	-63.08
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847435	1	45	-1.0	-64.17	370.45	1.05	-63.12
O=C(C1=COC(C(F)(F)F)=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847436	0	30	-1.0	-44.17	272.64	-1.30	-45.47
O=C(C1=COC(C(F)(F)F)=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847436	1	30	-1.0	-44.19	272.57	-1.30	-45.49
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847437	0	33	-1.0	-53.08	299.66	1.68	-51.40
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847437	1	33	-1.0	-53.06	299.59	1.67	-51.39
COC1=CC=C(C=O)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847438	0	37	-1.0	-59.01	303.81	1.52	-57.49
COC1=CC=C(C=O)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847438	1	37	-1.0	-59.04	303.89	1.55	-57.49
O=CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1F	REAL300019847439	0	33	-1.0	-60.84	281.60	1.35	-59.49
O=CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1F	REAL300019847439	1	33	-1.0	-60.86	281.67	1.36	-59.50
O=C(C1=CSN=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019847440	0	27	-1.0	-53.93	251.99	-0.23	-54.16
O=C(C1=CSN=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019847440	1	27	-1.0	-53.93	251.92	-0.25	-54.18
CS(=O)(=O)N1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847441	0	36	-1.0	-53.24	304.85	-3.11	-56.35
CS(=O)(=O)N1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847441	1	36	-1.0	-53.26	304.91	-3.09	-56.35
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847442	0	41	-1.0	-51.29	347.14	4.96	-46.33
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847442	1	41	-1.0	-51.24	347.20	4.98	-46.26
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847443	0	44	-1.0	-53.04	360.66	4.03	-49.01
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847443	1	44	-1.0	-53.07	360.59	4.03	-49.04
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847444	0	43	-1.0	-48.75	359.81	1.35	-47.40
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847444	1	43	-1.0	-48.77	359.88	1.37	-47.40
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847445	0	42	-1.0	-56.11	324.01	1.92	-54.19
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847445	1	42	-1.0	-56.13	324.08	1.93	-54.20
CC1=NC(C2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)S2)=CS1	REAL300019847446	0	37	-1.0	-54.24	332.81	2.15	-52.09
CC1=NC(C2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)S2)=CS1	REAL300019847446	1	37	-1.0	-54.22	332.73	2.14	-52.08
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847447	0	47	-1.0	-55.51	384.66	4.24	-51.27
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847447	1	47	-1.0	-55.52	384.73	4.26	-51.26
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCOCC1C1=N[N-]N=N1	REAL300019847448	0	45	-1.0	-62.66	354.39	4.46	-58.20
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCOCC1C1=NN=N[N-]1	REAL300019847448	1	45	-1.0	-62.63	354.45	4.47	-58.16
CCC1=CC=C(F)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847449	0	37	-1.0	-48.78	298.23	3.18	-45.60
CCC1=CC=C(F)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847449	1	37	-1.0	-48.84	298.28	3.20	-45.64
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847450	0	43	-1.0	-62.21	346.13	-1.36	-63.57
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847450	1	43	-1.0	-62.26	346.20	-1.34	-63.60
COCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CS1	REAL300019847451	0	35	-1.0	-54.90	294.80	0.34	-54.56
COCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CS1	REAL300019847451	1	35	-1.0	-54.94	294.87	0.34	-54.60
CN1C=CC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C21	REAL300019847452	0	38	-1.0	-57.97	306.54	3.33	-54.64
CN1C=CC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C21	REAL300019847452	1	38	-1.0	-58.00	306.47	3.31	-54.69
COC(=O)C1=NN(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847453	0	37	-1.0	-46.65	309.68	-0.03	-46.68
COC(=O)C1=NN(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847453	1	37	-1.0	-46.63	309.61	-0.04	-46.67
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C[C@H]1C	REAL300019847454	0	41	-1.0	-62.08	328.77	1.85	-60.23
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C[C@H]1C	REAL300019847454	1	41	-1.0	-62.08	328.84	1.87	-60.21
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847455	0	52	-1.0	-54.01	405.35	6.07	-47.94
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847455	1	52	-1.0	-53.98	405.41	6.10	-47.88
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847456	0	47	-1.0	-56.31	375.20	3.39	-52.92
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847456	1	47	-1.0	-56.30	375.29	3.37	-52.93
O=C(C=CC1=CC=C(Cl)S1)N1CCOCC1C1=N[N-]N=N1	REAL300019847457	0	32	-1.0	-50.45	295.94	2.89	-47.56
O=C(C=CC1=CC=C(Cl)S1)N1CCOCC1C1=NN=N[N-]1	REAL300019847457	1	32	-1.0	-50.46	296.01	2.89	-47.57
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019847458	0	39	-1.0	-59.17	333.44	3.04	-56.13
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019847458	1	39	-1.0	-59.21	333.51	3.07	-56.14
O=C(C1=NN(C2CCOCC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847459	0	42	-1.0	-54.66	330.21	0.89	-53.77
O=C(C1=NN(C2CCOCC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847459	1	42	-1.0	-54.67	330.14	0.87	-53.80
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCOCC1C1=N[N-]N=N1)OC2=O	REAL300019847460	0	44	-1.0	-48.06	328.09	2.50	-45.56
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCOCC1C1=NN=N[N-]1)OC2=O	REAL300019847460	1	44	-1.0	-48.05	328.16	2.50	-45.55
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCOCC1C1=N[N-]N=N1	REAL300019847461	0	39	-1.0	-54.46	326.53	5.00	-49.46
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCOCC1C1=NN=N[N-]1	REAL300019847461	1	39	-1.0	-54.52	326.60	5.02	-49.50
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300019847462	0	41	-1.0	-51.67	334.33	4.24	-47.43
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300019847462	1	41	-1.0	-51.68	334.39	4.25	-47.43
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019847463	0	39	-1.0	-63.32	314.88	0.15	-63.17
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019847463	1	39	-1.0	-63.39	314.95	0.14	-63.25
O=C(CC1CCC(F)(F)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847464	0	40	-1.0	-50.97	311.12	3.07	-47.90
O=C(CC1CCC(F)(F)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847464	1	40	-1.0	-50.99	311.17	3.07	-47.92
CC1=CN(CC(=O)N2CCOCC2C2=NN=N[N-]2)N=C1C(F)(F)F	REAL300019847465	0	37	-1.0	-63.34	318.38	1.58	-61.76
CC1=CN(CC(=O)N2CCOCC2C2=N[N-]N=N2)N=C1C(F)(F)F	REAL300019847465	1	37	-1.0	-63.29	318.32	1.55	-61.74
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847466	0	41	-1.0	-54.96	328.11	4.64	-50.32
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847466	1	41	-1.0	-54.98	328.18	4.65	-50.33
O=C(C1=C(C(F)F)N=CO1)N1CCOCC1C1=N[N-]N=N1	REAL300019847467	0	30	-1.0	-52.85	259.32	-2.50	-55.35
O=C(C1=C(C(F)F)N=CO1)N1CCOCC1C1=NN=N[N-]1	REAL300019847467	1	30	-1.0	-52.84	259.39	-2.49	-55.33
O=C(C1=CC=CC(C#CCO)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847468	0	37	-1.0	-62.79	313.22	0.37	-62.42
O=C(C1=CC=CC(C#CCO)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847468	1	37	-1.0	-63.88	313.29	0.39	-63.49
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847469	0	45	-1.0	-52.44	353.48	-3.88	-56.32
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847469	1	45	-1.0	-52.44	353.55	-3.88	-56.32
CC1=C(C=O)C(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N1	REAL300019847470	0	37	-1.0	-52.13	300.44	0.80	-51.33
CC1=C(C=O)C(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N1	REAL300019847470	1	37	-1.0	-52.10	300.50	0.82	-51.28
COC1=CC(CO)=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847471	0	39	-1.0	-60.56	313.47	-0.90	-61.46
COC1=CC(CO)=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847471	1	39	-1.0	-60.56	313.53	-0.88	-61.44
O=C(CC1CCN(CC(F)F)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847472	0	45	-1.0	-52.97	344.97	1.58	-51.39
O=C(CC1CCN(CC(F)F)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847472	1	45	-1.0	-52.98	345.03	1.59	-51.39
COC1=CC(OC)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C=O	REAL300019847473	0	41	-1.0	-57.80	331.99	0.94	-56.86
COC1=CC(OC)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C=O	REAL300019847473	1	41	-1.0	-57.75	332.06	0.96	-56.79
NC1=C2N=CN(CCCC(=O)N3CCOCC3C3=NN=N[N-]3)C2=NC=N1	REAL300019847474	0	43	-1.0	-63.40	355.15	2.83	-60.57
NC1=C2N=CN(CCCC(=O)N3CCOCC3C3=N[N-]N=N3)C2=NC=N1	REAL300019847474	1	43	-1.0	-63.37	355.08	2.82	-60.55
NC1=C2N=CN(CCCCC(=O)N3CCOCC3C3=N[N-]N=N3)C2=NC=N1	REAL300019847475	0	46	-1.0	-56.77	376.65	3.60	-53.17
NC1=C2N=CN(CCCCC(=O)N3CCOCC3C3=NN=N[N-]3)C2=NC=N1	REAL300019847475	1	46	-1.0	-56.75	376.71	3.61	-53.14
O=C(CC(O)COCC1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847476	0	45	-1.0	-62.25	366.53	1.23	-61.02
O=C(CC(O)COCC1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847476	1	45	-1.0	-62.25	366.60	1.26	-60.99
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847477	0	42	-1.0	-57.50	344.00	2.76	-54.74
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847477	1	42	-1.0	-57.51	344.07	2.77	-54.74
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847478	0	51	-1.0	-53.47	386.75	2.76	-50.71
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847478	1	51	-1.0	-53.48	386.82	2.77	-50.71
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847479	0	37	-1.0	-53.71	319.53	3.98	-49.73
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847479	1	37	-1.0	-53.69	319.47	3.97	-49.72
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847480	0	41	-1.0	-73.27	333.26	-0.11	-73.38
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847480	1	41	-1.0	-73.27	333.33	-0.10	-73.37
CC1CCC2=NC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CN2C1	REAL300019847481	0	41	-1.0	-54.51	320.13	3.25	-51.26
CC1CCC2=NC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CN2C1	REAL300019847481	1	41	-1.0	-54.51	320.20	3.29	-51.22
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847482	0	45	-1.0	-56.79	362.38	6.73	-50.06
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847482	1	45	-1.0	-56.81	362.43	6.73	-50.08
CC1=NC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL300019847483	0	34	-1.0	-53.38	295.73	1.24	-52.14
CC1=NC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL300019847483	1	34	-1.0	-53.36	295.79	1.25	-52.11
O=C(C1=CC(N2CCCC2=O)=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847484	0	41	-1.0	-69.06	325.55	0.81	-68.25
O=C(C1=CC(N2CCCC2=O)=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847484	1	41	-1.0	-69.03	325.48	0.80	-68.23
O=C(C1=CC=NC2=CC=NN21)N1CCOCC1C1=NN=N[N-]1	REAL300019847485	0	33	-1.0	-56.85	281.33	0.75	-56.10
O=C(C1=CC=NC2=CC=NN21)N1CCOCC1C1=N[N-]N=N1	REAL300019847485	1	33	-1.0	-56.81	281.27	0.73	-56.08
NC(=O)C1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019847486	0	37	-1.0	-56.20	311.57	-2.25	-58.45
NC(=O)C1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019847486	1	37	-1.0	-56.16	311.49	-2.27	-58.43
O=C(C1=NC2=CC=NN2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847487	0	33	-1.0	-49.50	278.21	1.35	-48.15
O=C(C1=NC2=CC=NN2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847487	1	33	-1.0	-49.48	278.14	1.34	-48.14
CC1=C(C)C(=O)N(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL300019847488	0	41	-1.0	-56.76	342.64	1.28	-55.48
CC1=C(C)C(=O)N(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL300019847488	1	41	-1.0	-56.78	342.71	1.28	-55.50
O=C(C1CC2CSCC(C1)C2=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847489	0	41	-1.0	-56.20	313.01	1.95	-54.25
O=C(C1CC2CSCC(C1)C2=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847489	1	41	-1.0	-56.22	313.08	1.96	-54.26
CCOC(=O)C1CCCN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847490	0	48	-1.0	-51.86	371.77	1.59	-50.27
CCOC(=O)C1CCCN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847490	1	48	-1.0	-51.79	371.83	1.61	-50.18
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847490	1	49	0.0	-64.63	367.57	3.92	-60.71
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847490	1	49	0.0	-56.36	366.17	3.30	-53.06
CCC(C)C(C(=O)N1CCOCC1C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300019847491	0	46	-1.0	-50.81	344.79	3.42	-47.39
CCC(C)C(C(=O)N1CCOCC1C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300019847491	1	46	-1.0	-50.87	344.86	3.42	-47.45
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847492	0	51	0.0	-52.61	356.77	2.22	-50.39
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847492	1	51	0.0	-52.58	356.84	2.25	-50.33
O=C(C1CCC(N2CCOCC2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847492	1	50	-1.0	-52.29	359.30	0.05	-52.24
O=C(C1CCC(N2CCOCC2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847492	1	50	-1.0	-52.34	359.35	0.06	-52.28
O=CC1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019847493	0	37	-1.0	-55.61	311.64	2.98	-52.63
O=CC1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019847493	1	37	-1.0	-55.60	311.71	2.98	-52.62
O=CC1=CC(F)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1F	REAL300019847494	0	33	-1.0	-56.43	285.64	1.45	-54.98
O=CC1=CC(F)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1F	REAL300019847494	1	33	-1.0	-56.40	285.70	1.47	-54.93
CN1CCOC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C21	REAL300019847495	0	41	-1.0	-56.13	317.12	0.21	-55.92
CN1CCOC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C21	REAL300019847495	1	41	-1.0	-56.10	317.19	0.23	-55.87
CC1CCN2C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)N=C2C1	REAL300019847496	0	41	-1.0	-54.30	319.49	3.43	-50.87
CC1CCN2C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)N=C2C1	REAL300019847496	1	41	-1.0	-54.31	319.55	3.44	-50.87
CN1CC[N@H+](C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847497	0	45	0.0	-58.22	323.11	0.11	-58.11
CN1CC[N@@H+](C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847497	1	45	0.0	-58.38	320.72	0.46	-57.92
CN1CC[N@H+](C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847497	1	45	0.0	-58.21	323.03	0.11	-58.10
CN1CC[N@@H+](C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847497	1	45	0.0	-58.36	320.66	0.45	-57.91
CC1=NSC(Br)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849202	0	30	-1.0	-46.20	285.58	0.68	-45.52
CC1=NSC(Br)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849202	1	30	-1.0	-46.22	285.65	0.69	-45.53
CC1=CN2CC(C(=O)N3CCOCC3C3=N[N-]N=N3)CCC2=N1	REAL300019849203	0	41	-1.0	-51.62	320.46	2.52	-49.10
CC1=CN2CC(C(=O)N3CCOCC3C3=NN=N[N-]3)CCC2=N1	REAL300019849203	1	41	-1.0	-51.58	320.53	2.52	-49.06
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849204	0	33	-1.0	-54.01	291.73	1.81	-52.20
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849204	1	33	-1.0	-54.02	291.67	1.79	-52.23
COC(=O)C1=CC(OC)=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1Cl	REAL300019849205	0	41	-1.0	-58.77	346.12	1.90	-56.87
COC(=O)C1=CC(OC)=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1Cl	REAL300019849205	1	41	-1.0	-58.77	346.19	1.94	-56.83
NC1=C(Br)C=NC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849206	0	32	-1.0	-45.20	281.24	-1.47	-46.67
NC1=C(Br)C=NC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849206	1	32	-1.0	-45.27	281.31	-1.45	-46.72
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCOCC1C1=N[N-]N=N1	REAL300019849207	0	41	0.0	-85.57	323.25	-0.20	-85.77
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCOCC1C1=NN=N[N-]1	REAL300019849207	1	41	0.0	-85.59	323.32	-0.17	-85.76
O=C(CCN1CCCC2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849208	0	46	-1.0	-50.88	346.47	3.14	-47.74
O=C(CCN1CCCC2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849208	1	46	-1.0	-50.87	346.52	3.17	-47.70
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849209	0	48	-1.0	-56.71	377.23	-2.24	-58.95
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849209	1	48	-1.0	-56.75	377.30	-2.22	-58.97
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C2	REAL300019849210	0	41	-1.0	-58.93	343.22	3.08	-55.85
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C2	REAL300019849210	1	41	-1.0	-58.92	343.29	3.09	-55.83
O=C(C(O)CC1=CC=NC=C1Br)N1CCOCC1C1=N[N-]N=N1	REAL300019849211	0	37	-1.0	-48.03	313.93	-0.39	-48.42
O=C(C(O)CC1=CC=NC=C1Br)N1CCOCC1C1=NN=N[N-]1	REAL300019849211	1	37	-1.0	-48.01	314.00	-0.37	-48.38
CC1=[NH+]C=C2C=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CN21	REAL300019849212	0	38	0.0	-65.07	304.50	3.28	-61.79
CC1=NC=C2C=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CN21	REAL300019849212	1	37	-1.0	-53.09	301.10	2.84	-50.25
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849213	0	34	-1.0	-50.80	297.74	1.64	-49.16
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849213	1	34	-1.0	-50.85	297.81	1.65	-49.20
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849214	0	48	-1.0	-54.29	373.72	-2.26	-56.55
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849214	1	48	-1.0	-54.28	373.79	-2.24	-56.52
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C2	REAL300019849215	0	52	-1.0	-71.40	400.20	2.93	-68.47
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C2	REAL300019849215	1	52	-1.0	-71.40	400.27	2.94	-68.46
CC1=C(I)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL300019849216	0	30	-1.0	-47.09	278.22	1.36	-45.73
CC1=C(I)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL300019849216	1	30	-1.0	-47.06	278.29	1.37	-45.69
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019849217	0	46	-1.0	-60.84	359.71	1.87	-58.97
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019849217	1	46	-1.0	-60.81	359.78	1.87	-58.94
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849218	0	45	-1.0	-46.95	360.85	-0.01	-46.96
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849218	1	45	-1.0	-46.97	360.91	0.00	-46.97
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCOCC2C2=N[N-]N=N2)[C@H](O)C1	REAL300019849219	0	52	-1.0	-66.77	400.59	-0.59	-67.36
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCOCC2C2=NN=N[N-]2)[C@H](O)C1	REAL300019849219	1	52	-1.0	-66.79	400.66	-0.57	-67.36
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C2	REAL300019849220	0	52	-1.0	-71.40	400.20	2.93	-68.47
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C2	REAL300019849220	1	52	-1.0	-71.40	400.27	2.94	-68.46
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849221	0	37	-1.0	-56.08	298.74	3.63	-52.45
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849221	1	37	-1.0	-56.09	298.67	3.61	-52.48
CCN1CCOCC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849222	0	43	-1.0	-54.64	320.76	-1.38	-56.02
CCN1CCOCC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849222	1	43	-1.0	-54.67	320.82	-1.37	-56.04
CC[N@@H+]1CCOCC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849222	1	44	0.0	-68.90	323.51	0.90	-68.00
CC[N@H+]1CCOCC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849222	1	44	0.0	-64.03	319.28	0.74	-63.29
COC(CF)(OC)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849223	0	45	-1.0	-53.07	353.13	2.01	-51.06
COC(CF)(OC)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849223	1	45	-1.0	-53.05	353.19	2.03	-51.02
CCOC(=O)CCC(F)(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849224	0	39	-1.0	-50.00	326.03	2.39	-47.61
CCOC(=O)CCC(F)(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849224	1	39	-1.0	-50.02	326.09	2.42	-47.60
COC1=CC(OC)=C(N)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849225	0	41	-1.0	-50.87	325.34	-1.52	-52.39
COC1=CC(OC)=C(N)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849225	1	41	-1.0	-50.89	325.41	-1.52	-52.41
C[C@H](C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300019849226	0	40	-1.0	-53.98	320.51	1.70	-52.28
C[C@H](C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300019849226	1	40	-1.0	-53.99	320.58	1.71	-52.28
CS(=O)(=O)N1CCC(OCC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019849227	0	46	-1.0	-60.68	371.46	-1.01	-61.69
CS(=O)(=O)N1CCC(OCC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019849227	1	46	-1.0	-60.67	371.52	-1.01	-61.68
CC1=CN(C2=CC=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C2)N=C1	REAL300019849228	0	41	-1.0	-68.58	333.02	3.45	-65.13
CC1=CN(C2=CC=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C2)N=C1	REAL300019849228	1	41	-1.0	-68.53	332.96	3.43	-65.10
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849229	0	40	-1.0	-51.19	329.34	3.88	-47.31
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849229	1	40	-1.0	-51.25	329.41	3.89	-47.36
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849230	0	42	-1.0	-57.75	350.73	5.29	-52.46
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849230	1	42	-1.0	-57.78	350.80	5.30	-52.48
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849231	0	37	-1.0	-55.71	305.58	4.11	-51.60
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849231	1	37	-1.0	-55.76	305.52	4.10	-51.66
CN1C(Br)=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849232	0	31	-1.0	-45.14	274.41	1.47	-43.67
CN1C(Br)=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849232	1	31	-1.0	-45.16	274.34	1.47	-43.69
O=C(C1=CN=C2OC=CC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849233	0	33	-1.0	-53.23	275.11	-1.22	-54.45
O=C(C1=CN=C2OC=CC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849233	1	33	-1.0	-53.26	275.04	-1.24	-54.50
O=C(CCC1=CSC(Br)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849234	0	34	-1.0	-49.61	312.81	3.13	-46.48
O=C(CCC1=CSC(Br)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849234	1	34	-1.0	-49.60	312.88	3.14	-46.46
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL300019849235	0	48	-1.0	-55.93	380.73	5.17	-50.76
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300019849235	1	48	-1.0	-55.90	380.79	5.18	-50.72
O=C(C1=CC=NN1C1CC1(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019849236	0	35	-1.0	-51.15	295.65	1.39	-49.76
O=C(C1=CC=NN1C1CC1(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019849236	1	35	-1.0	-51.15	295.58	1.37	-49.78
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849237	0	44	-1.0	-57.65	336.91	2.02	-55.63
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849237	1	44	-1.0	-57.65	336.98	2.02	-55.63
CCOC1=CC=C2NC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019849238	0	45	-1.0	-54.24	354.42	2.99	-51.25
CCOC1=CC=C2NC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019849238	1	45	-1.0	-54.23	354.49	3.00	-51.23
CCC1=CC=C2NC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019849239	0	44	-1.0	-52.54	345.96	4.23	-48.31
CCC1=CC=C2NC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019849239	1	44	-1.0	-52.52	345.89	4.22	-48.30
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL300019849240	0	44	-1.0	-52.39	339.80	3.94	-48.45
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL300019849240	1	44	-1.0	-52.40	339.73	3.92	-48.48
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL300019849241	0	47	-1.0	-52.39	363.06	4.70	-47.69
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300019849241	1	47	-1.0	-52.43	363.13	4.70	-47.73
COC(=O)C1=C2C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)SC2=CC=C1	REAL300019849242	0	40	-1.0	-65.58	342.83	3.52	-62.06
COC(=O)C1=C2C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)SC2=CC=C1	REAL300019849242	1	40	-1.0	-65.60	342.90	3.52	-62.08
COC(=O)C1=NC=CC=C1CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849243	0	42	-1.0	-58.68	342.56	2.29	-56.39
COC(=O)C1=NC=CC=C1CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849243	1	42	-1.0	-58.67	342.50	2.28	-56.39
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849244	0	51	-1.0	-55.10	392.95	1.25	-53.85
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849244	1	51	-1.0	-55.12	393.02	1.26	-53.86
CC1=NC=CC=C1C=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849245	0	37	-1.0	-55.27	301.33	1.92	-53.35
CC1=NC=CC=C1C=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849245	1	37	-1.0	-55.29	301.39	1.95	-53.34
CC1=CN=CC=C1C=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849246	0	37	-1.0	-53.61	301.46	1.94	-51.67
CC1=CN=CC=C1C=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849246	1	37	-1.0	-53.58	301.53	1.97	-51.61
CNC(=O)C1=CN=CC(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849247	0	41	-1.0	-61.69	340.10	-0.32	-62.01
CNC(=O)C1=CN=CC(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849247	1	41	-1.0	-61.67	340.17	-0.30	-61.97
O=C(C=CC1=CC=NC(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849248	0	34	-1.0	-54.43	300.12	2.00	-52.43
O=C(C=CC1=CC=NC(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849248	1	34	-1.0	-54.42	300.18	2.02	-52.40
COC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1N	REAL300019849249	0	37	-1.0	-51.46	295.94	-0.76	-52.22
COC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1N	REAL300019849249	1	37	-1.0	-51.48	295.88	-0.78	-52.26
COC1=CC=C(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1N	REAL300019849250	0	40	-1.0	-51.48	320.40	-0.35	-51.83
COC1=CC=C(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1N	REAL300019849250	1	40	-1.0	-51.50	320.33	-0.37	-51.87
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019849251	0	40	-1.0	-56.93	327.35	3.48	-53.45
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019849251	1	40	-1.0	-56.92	327.42	3.51	-53.41
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849252	0	38	-1.0	-56.21	312.07	3.44	-52.77
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849252	1	38	-1.0	-56.22	312.14	3.46	-52.76
CC(=CC1=CC=CS1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849253	0	35	-1.0	-53.87	287.68	2.64	-51.23
CC(=CC1=CC=CS1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849253	1	35	-1.0	-53.86	287.74	2.65	-51.21
NS(=O)(=O)C1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019849254	0	42	-1.0	-71.01	324.00	-3.22	-74.23
NS(=O)(=O)C1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019849254	1	42	-1.0	-70.98	324.08	-3.21	-74.19
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL300019849255	0	37	-1.0	-48.52	315.40	2.91	-45.61
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL300019849255	1	37	-1.0	-48.51	315.33	2.88	-45.63
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849256	0	35	-1.0	-47.88	304.29	0.79	-47.09
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849256	1	35	-1.0	-47.86	304.36	0.79	-47.07
COC1=CSC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1OC	REAL300019849257	0	36	-1.0	-57.71	308.71	-0.31	-58.02
COC1=CSC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1OC	REAL300019849257	1	36	-1.0	-57.72	308.78	-0.31	-58.03
O=C(C1=CC=C(Br)C2=CC=CN=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019849258	0	36	-1.0	-60.51	310.96	2.79	-57.72
O=C(C1=CC=C(Br)C2=CC=CN=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019849258	1	36	-1.0	-60.51	310.89	2.77	-57.74
CSC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019849259	0	38	-1.0	-50.24	335.41	4.15	-46.09
CSC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019849259	1	38	-1.0	-50.27	335.48	4.17	-46.10
CC1=CC2=NC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019849260	0	39	-1.0	-52.40	315.59	2.52	-49.88
CC1=CC2=NC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019849260	1	39	-1.0	-52.40	315.52	2.52	-49.88
COC1=C(F)C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1F	REAL300019849261	0	35	-1.0	-60.45	297.33	1.13	-59.32
COC1=C(F)C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1F	REAL300019849261	1	35	-1.0	-60.44	297.40	1.16	-59.28
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849262	0	37	-1.0	-67.63	315.55	1.67	-65.96
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849262	1	37	-1.0	-67.66	315.62	1.70	-65.96
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849263	0	37	-1.0	-53.13	307.09	1.30	-51.83
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849263	1	37	-1.0	-53.14	307.02	1.29	-51.85
C[C@@H](CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019849264	0	44	-1.0	-50.80	360.91	3.66	-47.14
C[C@@H](CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019849264	1	44	-1.0	-50.81	360.99	3.67	-47.14
CC1(C)C(C(=O)N2CCOCC2C2=N[N-]N=N2)CCS1(=O)=O	REAL300019849265	0	40	-1.0	-61.93	309.00	-1.03	-62.96
CC1(C)C(C(=O)N2CCOCC2C2=NN=N[N-]2)CCS1(=O)=O	REAL300019849265	1	40	-1.0	-61.96	309.04	-1.00	-62.96
COC1=CC(F)=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1N	REAL300019849266	0	37	-1.0	-47.53	302.30	-0.76	-48.29
COC1=CC(F)=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1N	REAL300019849266	1	37	-1.0	-47.49	302.36	-0.75	-48.24
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849267	0	37	-1.0	-56.52	295.89	0.23	-56.29
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849267	1	37	-1.0	-56.52	295.82	0.21	-56.31
CCCC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849268	0	43	-1.0	-51.97	344.54	4.88	-47.09
CCCC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849268	1	43	-1.0	-51.96	344.61	4.88	-47.08
CC(C)N1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC1=O	REAL300019849269	0	40	-1.0	-67.06	316.18	1.73	-65.33
CC(C)N1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC1=O	REAL300019849269	1	40	-1.0	-67.09	316.25	1.74	-65.35
O=C(CCCCN1C(=O)CCC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849270	0	43	-1.0	-61.54	349.49	1.70	-59.84
O=C(CCCCN1C(=O)CCC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849270	1	43	-1.0	-61.55	349.55	1.72	-59.83
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL300019849271	0	43	-1.0	-54.45	338.24	4.33	-50.12
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL300019849271	1	43	-1.0	-54.45	338.31	4.34	-50.11
O=C(C1COC2=C(Br)C=CC=C2C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849272	0	39	-1.0	-48.74	326.58	3.17	-45.57
O=C(C1COC2=C(Br)C=CC=C2C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849272	1	39	-1.0	-48.77	326.63	3.19	-45.58
C=CC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CCOCC1	REAL300019849273	0	42	-1.0	-48.54	307.91	1.10	-47.44
C=CC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CCOCC1	REAL300019849273	1	42	-1.0	-48.55	307.98	1.13	-47.42
CN1C=CC(N2C=NC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C2)=N1	REAL300019849274	0	38	-1.0	-63.32	319.14	3.79	-59.53
CN1C=CC(N2C=NC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C2)=N1	REAL300019849274	1	38	-1.0	-63.31	319.07	3.76	-59.55
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849275	0	38	-1.0	-51.02	310.79	3.52	-47.50
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849275	1	38	-1.0	-51.01	310.86	3.54	-47.47
CCCCC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CS1	REAL300019849276	0	39	-1.0	-52.34	325.86	2.44	-49.90
CCCCC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CS1	REAL300019849276	1	39	-1.0	-52.38	325.93	2.45	-49.93
O=C(CF)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849277	0	36	-1.0	-61.40	301.57	2.20	-59.20
O=C(CF)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849277	1	36	-1.0	-61.42	301.64	2.20	-59.22
CN(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL300019849278	0	40	-1.0	-56.57	336.77	2.12	-54.45
CN(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL300019849278	1	40	-1.0	-56.59	336.84	2.15	-54.44
CC1=CC=CC(C2=NOC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C2)=C1	REAL300019849279	0	40	-1.0	-46.86	331.72	3.59	-43.27
CC1=CC=CC(C2=NOC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C2)=C1	REAL300019849279	1	40	-1.0	-46.84	331.66	3.57	-43.27
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL300019849280	0	37	-1.0	-44.90	327.60	3.29	-41.61
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL300019849280	1	37	-1.0	-44.86	327.53	3.27	-41.59
O=C(C1=CC(C2=CC=CC=C2Cl)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL300019849281	0	37	-1.0	-47.53	323.27	3.45	-44.08
O=C(C1=CC(C2=CC=CC=C2Cl)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL300019849281	1	37	-1.0	-47.51	323.21	3.43	-44.08
CN1N=NC=C1C(F)(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849282	0	33	-1.0	-46.78	281.92	-1.09	-47.87
CN1N=NC=C1C(F)(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849282	1	33	-1.0	-46.81	281.86	-1.11	-47.92
COC(=O)[C@@H](CC(=O)N1CCOCC1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019849283	0	50	-1.0	-59.64	399.46	1.01	-58.63
COC(=O)[C@@H](CC(=O)N1CCOCC1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019849283	1	50	-1.0	-59.66	399.53	1.02	-58.64
O=C(N1CCOCC1C1=N[N-]N=N1)C12CC3CC(CC(O)(C3)C1)C2	REAL300019849284	0	46	-1.0	-57.70	322.15	-0.01	-57.71
O=C(N1CCOCC1C1=NN=N[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL300019849284	1	46	-1.0	-57.68	322.21	0.02	-57.66
CC1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL300019849285	0	48	-1.0	-60.90	365.40	2.03	-58.87
CC1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL300019849285	1	48	-1.0	-60.89	365.46	2.03	-58.86
O=C(C1=CC2=NNC(=O)N2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849286	0	34	-1.0	-53.48	284.83	-0.14	-53.62
O=C(C1=CC2=NNC(=O)N2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849286	1	34	-1.0	-53.51	284.88	-0.12	-53.63
O=C(C1=CC=CN2C=NN=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019849287	0	33	-1.0	-60.20	272.56	2.97	-57.23
O=C(C1=CC=CN2C=NN=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019849287	1	33	-1.0	-60.22	272.50	2.95	-57.27
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019849288	0	41	-1.0	-51.24	341.63	3.79	-47.45
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019849288	1	41	-1.0	-51.27	341.70	3.79	-47.48
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC2=C(C)C=CC=C12	REAL300019849289	0	41	-1.0	-52.55	325.96	3.47	-49.08
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC2=C(C)C=CC=C12	REAL300019849289	1	41	-1.0	-52.54	325.90	3.44	-49.10
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019849290	0	42	-1.0	-53.61	334.75	3.68	-49.93
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019849290	1	42	-1.0	-53.63	334.68	3.67	-49.96
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019849291	0	45	-1.0	-53.45	354.97	4.40	-49.05
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019849291	1	45	-1.0	-53.51	355.04	4.41	-49.10
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849292	0	40	-1.0	-52.97	329.28	3.52	-49.45
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849292	1	40	-1.0	-52.97	329.21	3.49	-49.48
N#CC1CCCC(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849293	0	41	-1.0	-66.04	315.97	2.95	-63.09
N#CC1CCCC(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849293	1	41	-1.0	-66.02	316.03	2.96	-63.06
CC1(C)CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC(C)(C)O1	REAL300019849294	0	50	-1.0	-52.20	365.51	3.19	-49.01
CC1(C)CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC(C)(C)O1	REAL300019849294	1	50	-1.0	-52.20	365.58	3.21	-48.99
O=C(CC1CCN2C=NC=C2C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849295	0	41	-1.0	-60.85	318.78	3.59	-57.26
O=C(CC1CCN2C=NC=C2C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849295	1	41	-1.0	-60.88	318.85	3.60	-57.28
O=C(CCCCCN1C=NN=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849296	0	41	-1.0	-66.01	335.65	2.18	-63.83
O=C(CCCCCN1C=NN=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849296	1	41	-1.0	-65.97	335.58	2.18	-63.79
O=C(CCC1=NC=C(F)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849297	0	35	-1.0	-51.95	297.56	0.73	-51.22
O=C(CCC1=NC=C(F)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849297	1	35	-1.0	-51.95	297.63	0.75	-51.20
N#CC1=CC=C(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C(Br)=C1	REAL300019849298	0	38	-1.0	-51.08	339.55	4.31	-46.77
N#CC1=CC=C(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C(Br)=C1	REAL300019849298	1	38	-1.0	-51.07	339.61	4.32	-46.75
O=C(C1=CC=C2NC(=O)NCC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849299	0	38	-1.0	-55.66	307.17	-1.33	-56.99
O=C(C1=CC=C2NC(=O)NCC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849299	1	38	-1.0	-55.69	307.24	-1.33	-57.02
O=C(C(CC(F)(F)F)C1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849300	0	40	-1.0	-53.06	329.20	4.29	-48.77
O=C(C(CC(F)(F)F)C1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849300	1	40	-1.0	-53.06	329.25	4.31	-48.75
CN1N=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL300019849301	0	37	-1.0	-61.89	310.37	2.24	-59.65
CN1N=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL300019849301	1	37	-1.0	-61.80	310.15	2.30	-59.50
O=C(C1=COC2=C1CS(=O)(=O)C2)N1CCOCC1C1=N[N-]N=N1	REAL300019849302	0	35	-1.0	-64.34	300.35	-2.38	-66.72
O=C(C1=COC2=C1CS(=O)(=O)C2)N1CCOCC1C1=NN=N[N-]1	REAL300019849302	1	35	-1.0	-64.34	300.41	-2.36	-66.70
O=C(C1=CC=C(C2CCOC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849303	0	42	-1.0	-54.88	327.52	2.17	-52.71
O=C(C1=CC=C(C2CCOC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849303	1	42	-1.0	-54.85	327.59	2.17	-52.68
O=C(N1CCOCC1C1=N[N-]N=N1)C(F)(F)C1=CSC=C1Br	REAL300019849304	0	31	-1.0	-50.05	290.84	2.34	-47.71
O=C(N1CCOCC1C1=NN=N[N-]1)C(F)(F)C1=CSC=C1Br	REAL300019849304	1	31	-1.0	-50.05	290.89	2.35	-47.70
CN1C=C(C2=NOC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C2)C=N1	REAL300019849305	0	37	-1.0	-49.60	315.60	0.63	-48.97
CN1C=C(C2=NOC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C2)C=N1	REAL300019849305	1	37	-1.0	-49.58	315.53	0.60	-48.98
O=C(C1=CN=CC2=C1CCCC2)N1CCOCC1C1=N[N-]N=N1	REAL300019849306	0	40	-1.0	-52.13	305.17	2.19	-49.94
O=C(C1=CN=CC2=C1CCCC2)N1CCOCC1C1=NN=N[N-]1	REAL300019849306	1	40	-1.0	-52.13	305.23	2.21	-49.92
CC1=CC=CN2N=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C12	REAL300019849307	0	37	-1.0	-55.13	297.27	2.01	-53.12
CC1=CC=CN2N=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C12	REAL300019849307	1	37	-1.0	-55.13	297.23	1.99	-53.14
C=CCNC(=O)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849308	0	42	-1.0	-59.50	343.53	1.25	-58.25
C=CCNC(=O)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849308	1	42	-1.0	-59.46	343.60	1.26	-58.20
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849309	0	40	-1.0	-57.36	333.63	3.36	-54.00
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849309	1	40	-1.0	-57.31	333.56	3.35	-53.96
O=C(C1=CC=CC2=CN=NN21)N1CCOCC1C1=NN=N[N-]1	REAL300019849310	0	33	-1.0	-54.79	272.40	0.51	-54.28
O=C(C1=CC=CC2=CN=NN21)N1CCOCC1C1=N[N-]N=N1	REAL300019849310	1	33	-1.0	-54.82	272.34	0.50	-54.32
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL300019849311	0	41	-1.0	-52.29	325.16	3.47	-48.82
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL300019849311	1	41	-1.0	-52.26	325.09	3.45	-48.81
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019849312	0	40	-1.0	-52.79	331.11	3.46	-49.33
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019849312	1	40	-1.0	-52.77	331.19	3.45	-49.32
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL300019849313	0	38	-1.0	-49.61	319.75	3.28	-46.33
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL300019849313	1	38	-1.0	-49.62	319.82	3.29	-46.33
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC2=CC(F)=CC=C21	REAL300019849314	0	38	-1.0	-49.67	309.51	2.85	-46.82
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC2=CC(F)=CC=C21	REAL300019849314	1	38	-1.0	-49.67	309.44	2.85	-46.82
CC1=C2N=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=CN2N=C1	REAL300019849315	0	36	-1.0	-49.12	298.70	2.12	-47.00
CC1=C2N=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=CN2N=C1	REAL300019849315	1	36	-1.0	-49.12	298.63	2.11	-47.01
O=C(C1=CC(Br)=CC(F)=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019849316	0	31	-1.0	-54.77	284.68	2.32	-52.45
O=C(C1=CC(Br)=CC(F)=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019849316	1	31	-1.0	-54.80	284.75	2.32	-52.48
O=C(C1=C2SN=CC2=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849317	0	33	-1.0	-65.69	283.68	1.78	-63.91
O=C(C1=C2SN=CC2=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849317	1	33	-1.0	-65.71	283.62	1.76	-63.95
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C2	REAL300019849318	0	55	-1.0	-69.43	409.94	3.65	-65.78
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C2	REAL300019849318	1	55	-1.0	-69.43	410.01	3.67	-65.76
CCC(CCC(=O)N1CCOCC1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019849319	0	53	-1.0	-50.26	401.34	1.85	-48.41
CCC(CCC(=O)N1CCOCC1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019849319	1	53	-1.0	-50.28	401.41	1.87	-48.41
O=C(C1=CC=C(C(F)F)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849320	0	33	-1.0	-51.50	282.13	1.54	-49.96
O=C(C1=CC=C(C(F)F)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849320	1	33	-1.0	-51.42	281.84	1.59	-49.83
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849321	0	34	-1.0	-54.53	294.54	3.03	-51.50
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849321	1	34	-1.0	-54.47	294.48	3.00	-51.47
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300019849322	0	44	-1.0	-58.62	348.93	5.65	-52.97
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300019849322	1	44	-1.0	-58.59	348.86	5.64	-52.95
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019849323	0	51	-1.0	-60.80	396.48	1.64	-59.16
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019849323	1	51	-1.0	-60.84	396.56	1.67	-59.17
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849324	0	44	-1.0	-52.67	348.26	5.77	-46.90
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849324	1	44	-1.0	-52.67	348.20	5.76	-46.91
O=C(C1=COC2=C(Br)C=CC=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019849325	0	34	-1.0	-55.20	303.09	2.73	-52.47
O=C(C1=COC2=C(Br)C=CC=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019849325	1	34	-1.0	-55.21	303.16	2.75	-52.46
COC1=CC(OC)=C(Cl)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849326	0	39	-1.0	-56.73	324.33	0.73	-56.00
COC1=CC(OC)=C(Cl)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849326	1	39	-1.0	-56.73	324.40	0.76	-55.97
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCOCC1C1=N[N-]N=N1	REAL300019849327	0	36	-1.0	-55.77	290.37	1.21	-54.56
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCOCC1C1=NN=N[N-]1	REAL300019849327	1	36	-1.0	-55.75	290.44	1.23	-54.52
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849328	0	41	-1.0	-58.07	353.72	5.31	-52.76
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849328	1	41	-1.0	-58.10	353.79	5.33	-52.77
O=C(C1CCCC2=C1N=CS2)N1CCOCC1C1=N[N-]N=N1	REAL300019849329	0	37	-1.0	-53.48	302.09	1.55	-51.93
O=C(C1CCCC2=C1N=CS2)N1CCOCC1C1=NN=N[N-]1	REAL300019849329	1	37	-1.0	-53.48	302.16	1.55	-51.93
CC1(C)CCC(F)(F)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849330	0	43	-1.0	-46.43	314.03	2.88	-43.55
CC1(C)CCC(F)(F)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849330	1	43	-1.0	-46.40	314.10	2.88	-43.52
CC1=CC=CN=C1C=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849331	0	37	-1.0	-53.61	303.62	2.17	-51.44
CC1=CC=CN=C1C=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849331	1	37	-1.0	-53.63	303.69	2.20	-51.43
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849332	0	43	-1.0	-54.63	352.25	5.20	-49.43
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849332	1	43	-1.0	-54.66	352.18	5.20	-49.46
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849333	0	41	-1.0	-55.58	341.33	4.39	-51.19
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849333	1	41	-1.0	-55.58	341.39	4.39	-51.19
O=C(C1=CN=C(C(F)(F)F)S1)N1CCOCC1C1=NN=N[N-]1	REAL300019849334	0	30	-1.0	-47.69	279.69	-0.08	-47.77
O=C(C1=CN=C(C(F)(F)F)S1)N1CCOCC1C1=N[N-]N=N1	REAL300019849334	1	30	-1.0	-47.72	279.62	-0.07	-47.79
COC1=CC=C2NN=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C2=C1	REAL300019849335	0	38	-1.0	-62.71	310.75	0.16	-62.55
COC1=CC=C2NN=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C2=C1	REAL300019849335	1	38	-1.0	-62.75	310.68	0.15	-62.60
COC1=CC=C2NC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019849336	0	42	-1.0	-54.37	332.57	2.07	-52.30
COC1=CC=C2NC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019849336	1	42	-1.0	-54.30	332.64	2.07	-52.23
O=C(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CSC=C1Br	REAL300019849337	0	30	-1.0	-43.07	281.97	1.16	-41.91
O=C(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CSC=C1Br	REAL300019849337	1	30	-1.0	-43.10	282.04	1.17	-41.93
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019849338	0	40	-1.0	-48.45	330.47	4.18	-44.27
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019849338	1	40	-1.0	-48.53	330.52	4.18	-44.35
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849339	0	41	-1.0	-55.64	332.99	1.34	-54.30
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849339	1	41	-1.0	-55.65	333.06	1.34	-54.31
O=C(C1=CSC(Br)=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019849340	0	28	-1.0	-54.40	278.71	1.83	-52.57
O=C(C1=CSC(Br)=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019849340	1	28	-1.0	-54.37	278.78	1.85	-52.52
O=C(C1=C2C=CC=CN2N=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849341	0	33	-1.0	-55.57	275.94	0.57	-55.00
O=C(C1=C2C=CC=CN2N=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849341	1	33	-1.0	-55.59	275.87	0.55	-55.04
CC1CCC(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1C	REAL300019849342	0	46	-1.0	-53.09	337.59	4.02	-49.07
CC1CCC(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1C	REAL300019849342	1	46	-1.0	-53.12	337.66	4.05	-49.07
O=C(C1=NC=CC2=NC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849343	0	35	-1.0	-52.65	294.07	0.37	-52.28
O=C(C1=NC=CC2=NC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849343	1	35	-1.0	-52.62	294.01	0.34	-52.28
CCN(CCC(=O)N1CCOCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019849344	0	50	-1.0	-54.91	387.97	3.06	-51.85
CCN(CCC(=O)N1CCOCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019849344	1	50	-1.0	-54.93	388.04	3.09	-51.84
O=C(N1CCOCC1C1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL300019849345	0	36	-1.0	-53.43	305.18	0.33	-53.10
O=C(N1CCOCC1C1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL300019849345	1	36	-1.0	-53.40	305.11	0.32	-53.08
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849346	0	37	-1.0	-48.39	303.44	3.57	-44.82
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849346	1	37	-1.0	-48.41	303.51	3.59	-44.82
O=C(N1CCOCC1C1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL300019849347	0	37	-1.0	-51.18	311.17	1.65	-49.53
O=C(N1CCOCC1C1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL300019849347	1	37	-1.0	-51.19	311.12	1.63	-49.56
O=C(CC1CCS(=O)(=O)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019849348	0	40	-1.0	-58.38	318.64	-1.05	-59.43
O=C(CC1CCS(=O)(=O)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019849348	1	40	-1.0	-58.37	318.70	-1.04	-59.41
O=C(C1=CN(CC(F)F)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849349	0	34	-1.0	-52.12	289.76	0.54	-51.58
O=C(C1=CN(CC(F)F)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849349	1	34	-1.0	-52.14	289.69	0.53	-51.61
CC1=CC=C(C=CCC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849350	0	41	-1.0	-54.67	332.60	4.65	-50.02
CC1=CC=C(C=CCC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849350	1	41	-1.0	-54.69	332.67	4.65	-50.04
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCOCC1C1=N[N-]N=N1	REAL300019849351	0	36	-1.0	-58.43	303.43	-2.14	-60.57
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCOCC1C1=NN=N[N-]1	REAL300019849351	1	36	-1.0	-58.41	303.49	-2.12	-60.53
O=C(C1CCCN2C=NN=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019849352	0	37	-1.0	-55.86	287.53	2.70	-53.16
O=C(C1CCCN2C=NN=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019849352	1	37	-1.0	-55.91	287.60	2.72	-53.19
COC1=CC(F)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1Br	REAL300019849353	0	35	-1.0	-54.26	307.66	1.61	-52.65
COC1=CC(F)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1Br	REAL300019849353	1	35	-1.0	-54.28	307.73	1.64	-52.64
CC(C)C1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1F	REAL300019849354	0	40	-1.0	-62.93	316.68	3.53	-59.40
CC(C)C1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1F	REAL300019849354	1	40	-1.0	-62.92	316.74	3.55	-59.37
CC(C)C1=CC=C(F)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849355	0	40	-1.0	-59.07	318.03	3.54	-55.53
CC(C)C1=CC=C(F)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849355	1	40	-1.0	-59.08	318.10	3.57	-55.51
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849356	0	37	-1.0	-63.66	303.16	3.90	-59.76
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849356	1	37	-1.0	-63.68	303.08	3.88	-59.80
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849357	0	37	-1.0	-52.40	312.48	3.25	-49.15
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849357	1	37	-1.0	-52.42	312.55	3.25	-49.17
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019849358	0	44	-1.0	-49.53	360.90	3.68	-45.85
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019849358	1	44	-1.0	-49.52	360.97	3.69	-45.83
COC(=O)C1=CSC2=C1NC(C(=O)N1CCOCC1C1=N[N-]N=N1)=C2	REAL300019849359	0	38	-1.0	-53.27	332.00	1.79	-51.48
COC(=O)C1=CSC2=C1NC(C(=O)N1CCOCC1C1=NN=N[N-]1)=C2	REAL300019849359	1	38	-1.0	-53.31	332.07	1.79	-51.52
COC(=O)C1=CC2=C(C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)N2)S1	REAL300019849360	0	38	-1.0	-51.46	332.27	1.92	-49.54
COC(=O)C1=CC2=C(C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)N2)S1	REAL300019849360	1	38	-1.0	-51.49	332.34	1.93	-49.56
O=C(N1CCOCC1C1=NN=N[N-]1)C(F)(F)C1=CN=CC=N1	REAL300019849361	0	32	-1.0	-49.18	275.59	-0.35	-49.53
O=C(N1CCOCC1C1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL300019849361	1	32	-1.0	-49.17	275.52	-0.36	-49.53
COC1=CC=C(C#CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849362	0	37	-1.0	-53.25	317.04	2.64	-50.61
COC1=CC=C(C#CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849362	1	37	-1.0	-53.05	317.11	2.67	-50.38
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849363	0	54	-1.0	-52.87	406.03	1.88	-50.99
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849363	1	54	-1.0	-52.83	406.10	1.88	-50.95
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849364	0	47	-1.0	-53.80	372.87	0.19	-53.61
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849364	1	47	-1.0	-53.78	372.93	0.20	-53.58
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCOCC1C1=N[N-]N=N1	REAL300019849365	0	41	-1.0	-60.01	336.87	1.52	-58.49
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCOCC1C1=NN=N[N-]1	REAL300019849365	1	41	-1.0	-60.03	336.93	1.54	-58.49
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849366	0	45	-1.0	-58.05	351.08	5.22	-52.83
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849366	1	45	-1.0	-58.02	351.14	5.22	-52.80
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849367	0	45	-1.0	-57.96	351.21	5.19	-52.77
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849367	1	45	-1.0	-57.96	351.28	5.20	-52.76
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849368	0	45	-1.0	-60.18	372.91	3.46	-56.72
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849368	1	45	-1.0	-60.18	372.97	3.48	-56.70
O=C(C1=CC2=CN=CN=C2N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849369	0	33	-1.0	-48.90	275.36	1.18	-47.72
O=C(C1=CC2=CN=CN=C2N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849369	1	33	-1.0	-48.88	275.29	1.18	-47.70
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCOCC1C1=N[N-]N=N1	REAL300019849370	0	44	-1.0	-52.47	357.97	1.18	-51.29
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCOCC1C1=NN=N[N-]1	REAL300019849370	1	44	-1.0	-52.50	358.04	1.21	-51.29
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019849371	0	40	-1.0	-50.10	329.96	4.09	-46.01
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019849371	1	40	-1.0	-50.12	330.03	4.12	-46.00
CN1C(=O)N(CC(=O)N2CCOCC2C2=N[N-]N=N2)N=C1C1CC1	REAL300019849372	0	41	-1.0	-64.44	340.59	2.39	-62.05
CN1C(=O)N(CC(=O)N2CCOCC2C2=NN=N[N-]2)N=C1C1CC1	REAL300019849372	1	41	-1.0	-64.46	340.66	2.40	-62.06
CCN1C(C)=NN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1=O	REAL300019849373	0	40	-1.0	-65.62	330.47	1.84	-63.78
CCN1C(C)=NN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1=O	REAL300019849373	1	40	-1.0	-65.63	330.54	1.85	-63.78
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCOCC1C1=N[N-]N=N1	REAL300019849374	0	45	-1.0	-52.21	361.25	5.86	-46.35
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCOCC1C1=NN=N[N-]1	REAL300019849374	1	45	-1.0	-52.21	361.31	5.87	-46.34
CC1=CC(Cl)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1Br	REAL300019849375	0	34	-1.0	-50.44	305.58	3.25	-47.19
CC1=CC(Cl)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1Br	REAL300019849375	1	34	-1.0	-50.46	305.66	3.27	-47.19
O=C(C1=CC(C2CC2)=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849376	0	37	-1.0	-54.79	299.69	2.74	-52.05
O=C(C1=CC(C2CC2)=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849376	1	37	-1.0	-54.76	299.76	2.74	-52.02
NS(=O)(=O)C1=CSC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849377	0	33	-1.0	-61.71	300.30	-4.50	-66.21
NS(=O)(=O)C1=CSC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849377	1	33	-1.0	-61.69	300.38	-4.49	-66.18
CC(C)(C)C1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019849378	0	39	-1.0	-55.09	312.93	-0.97	-56.06
CC(C)(C)C1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019849378	1	39	-1.0	-55.11	312.86	-0.98	-56.09
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849379	0	36	-1.0	-56.14	299.60	-1.08	-57.22
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849379	1	36	-1.0	-56.11	299.66	-1.07	-57.18
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849380	0	45	-1.0	-65.67	366.08	3.65	-62.02
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849380	1	45	-1.0	-65.60	366.15	3.67	-61.93
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849381	0	43	-1.0	-68.94	358.68	4.89	-64.05
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849381	1	43	-1.0	-68.93	358.75	4.90	-64.03
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849382	0	51	-1.0	-50.30	387.37	-0.75	-51.05
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849382	1	51	-1.0	-50.30	387.45	-0.72	-51.02
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019849383	0	54	-1.0	-53.17	404.52	2.96	-50.21
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019849383	1	54	-1.0	-53.17	404.59	2.97	-50.20
CCC(C)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)N1	REAL300019849384	0	43	-1.0	-58.06	335.57	1.25	-56.81
CCC(C)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)N1	REAL300019849384	1	43	-1.0	-58.07	335.64	1.27	-56.80
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849385	0	53	-1.0	-57.68	399.87	6.02	-51.66
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849385	1	53	-1.0	-57.70	399.94	6.04	-51.66
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849386	0	41	-1.0	-56.23	338.52	4.03	-52.20
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849386	1	41	-1.0	-56.24	338.57	4.03	-52.21
O=C(C1COC2=CC=C(Br)C=C2C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849387	0	39	-1.0	-49.05	329.32	2.89	-46.16
O=C(C1COC2=CC=C(Br)C=C2C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849387	1	39	-1.0	-49.07	329.39	2.89	-46.18
CC1=CC=C(OC(C)C(=O)N2CCOCC2C2=N[N-]N=N2)C(C)=C1	REAL300019849388	0	44	-1.0	-58.48	342.92	4.16	-54.32
CC1=CC=C(OC(C)C(=O)N2CCOCC2C2=NN=N[N-]2)C(C)=C1	REAL300019849388	1	44	-1.0	-58.53	342.98	4.16	-54.37
O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849389	0	44	-1.0	-58.41	351.76	-1.77	-60.18
O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849389	1	44	-1.0	-58.48	351.83	-1.75	-60.23
O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849390	0	37	-1.0	-55.84	315.87	4.54	-51.30
O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849390	1	37	-1.0	-55.79	315.82	4.53	-51.26
O=C(CC1CCC2=CC(Br)=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849391	0	41	-1.0	-53.81	338.39	5.07	-48.74
O=C(CC1CCC2=CC(Br)=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849391	1	41	-1.0	-53.80	338.46	5.10	-48.70
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849392	0	40	-1.0	-53.17	328.70	3.19	-49.98
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849392	1	40	-1.0	-53.15	328.63	3.19	-49.96
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCOCC1C1=NN=N[N-]1	REAL300019849393	0	29	-1.0	-47.67	291.61	0.28	-47.39
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCOCC1C1=N[N-]N=N1	REAL300019849393	1	29	-1.0	-47.70	291.54	0.27	-47.43
COC(=O)C1=COC2=C1NC(C(=O)N1CCOCC1C1=N[N-]N=N1)=C2	REAL300019849394	0	38	-1.0	-54.31	323.38	0.92	-53.39
COC(=O)C1=COC2=C1NC(C(=O)N1CCOCC1C1=NN=N[N-]1)=C2	REAL300019849394	1	38	-1.0	-54.32	323.45	0.93	-53.39
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)NC2=C1	REAL300019849395	0	44	-1.0	-51.87	361.18	3.34	-48.53
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)NC2=C1	REAL300019849395	1	44	-1.0	-51.91	361.25	3.35	-48.56
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL300019849396	0	36	-1.0	-55.09	313.17	1.15	-53.94
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL300019849396	1	36	-1.0	-55.10	313.24	1.16	-53.94
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCOCC1C1=N[N-]N=N1	REAL300019849397	0	42	-1.0	-59.15	342.37	4.40	-54.75
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCOCC1C1=NN=N[N-]1	REAL300019849397	1	42	-1.0	-59.15	342.44	4.40	-54.75
COC(=O)C1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1C	REAL300019849398	0	40	-1.0	-58.83	323.06	2.87	-55.96
COC(=O)C1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1C	REAL300019849398	1	40	-1.0	-58.85	323.12	2.89	-55.96
C=CCCC(CC(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849399	0	46	-1.0	-51.85	338.73	3.83	-48.02
C=CCCC(CC(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849399	1	46	-1.0	-51.83	338.79	3.84	-47.99
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849400	0	44	-1.0	-66.00	358.12	4.14	-61.86
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849400	1	44	-1.0	-66.03	358.19	4.14	-61.89
CC(C)(C)C1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL300019849401	0	41	-1.0	-44.01	316.67	1.31	-42.70
CC(C)(C)C1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL300019849401	1	41	-1.0	-44.01	316.74	1.33	-42.68
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849402	0	38	-1.0	-55.08	317.92	3.98	-51.10
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849402	1	38	-1.0	-55.06	317.99	3.98	-51.08
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849403	0	38	-1.0	-70.16	308.64	2.51	-67.65
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849403	1	38	-1.0	-70.18	308.71	2.52	-67.66
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849404	0	37	-1.0	-54.63	312.56	2.29	-52.34
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849404	1	37	-1.0	-54.67	312.63	2.32	-52.35
CC1=C2C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)N=CC2=NN1	REAL300019849405	0	36	-1.0	-55.08	298.29	-0.04	-55.12
CC1=C2C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)N=CC2=NN1	REAL300019849405	1	36	-1.0	-55.08	298.36	-0.03	-55.11
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849406	0	34	-1.0	-57.60	297.56	3.25	-54.35
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849406	1	34	-1.0	-57.58	297.51	3.23	-54.35
O=C(CCCCC1CSSC1)N1CCOCC1C1=N[N-]N=N1	REAL300019849407	0	42	-1.0	-54.00	348.53	5.16	-48.84
O=C(CCCCC1CSSC1)N1CCOCC1C1=NN=N[N-]1	REAL300019849407	1	42	-1.0	-54.05	348.60	5.16	-48.89
CNC(=O)N1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019849408	0	43	-1.0	-62.46	327.00	-0.26	-62.72
CNC(=O)N1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019849408	1	43	-1.0	-62.47	327.06	-0.25	-62.72
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019849409	0	36	-1.0	-50.33	304.98	2.44	-47.89
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019849409	1	36	-1.0	-50.33	304.91	2.42	-47.91
CC1=CC2=CC=CN=C2C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849410	0	39	-1.0	-66.05	313.87	2.94	-63.11
CC1=CC2=CC=CN=C2C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849410	1	39	-1.0	-66.10	313.81	2.91	-63.19
O=C(C1=CN=C2N=CC=CN12)N1CCOCC1C1=NN=N[N-]1	REAL300019849411	0	33	-1.0	-55.03	273.67	2.47	-52.56
O=C(C1=CN=C2N=CC=CN12)N1CCOCC1C1=N[N-]N=N1	REAL300019849411	1	33	-1.0	-55.04	273.60	2.47	-52.57
O=C(CC1=CC(Br)=CS1)N1CCOCC1C1=N[N-]N=N1	REAL300019849412	0	31	-1.0	-50.26	291.79	2.38	-47.88
O=C(CC1=CC(Br)=CS1)N1CCOCC1C1=NN=N[N-]1	REAL300019849412	1	31	-1.0	-50.29	291.86	2.39	-47.90
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCOCC1C1=N[N-]N=N1	REAL300019849413	0	42	-1.0	-53.55	356.71	6.06	-47.49
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCOCC1C1=NN=N[N-]1	REAL300019849413	1	42	-1.0	-53.56	356.77	6.06	-47.50
COC1(C2=CC=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C2)COC1	REAL300019849414	0	43	-1.0	-61.95	332.95	0.98	-60.97
COC1(C2=CC=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C2)COC1	REAL300019849414	1	43	-1.0	-61.95	333.02	0.99	-60.96
COCCN1C=CC2=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=CC=C21	REAL300019849415	0	45	-1.0	-61.11	361.07	3.28	-57.83
COCCN1C=CC2=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=CC=C21	REAL300019849415	1	45	-1.0	-61.12	361.15	3.31	-57.81
CC(C)N1C=CC2=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=CC=C21	REAL300019849416	0	44	-1.0	-62.36	345.54	4.73	-57.63
CC(C)N1C=CC2=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=CC=C21	REAL300019849416	1	44	-1.0	-62.36	345.48	4.70	-57.66
C[C@@H](C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019849417	0	37	-1.0	-52.15	298.59	2.97	-49.18
C[C@@H](C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019849417	1	37	-1.0	-52.15	298.66	2.98	-49.17
CCC(CC(=O)N1CCOCC1C1=N[N-]N=N1)CC(F)(F)F	REAL300019849418	0	39	-1.0	-55.39	304.99	2.53	-52.86
CCC(CC(=O)N1CCOCC1C1=NN=N[N-]1)CC(F)(F)F	REAL300019849418	1	39	-1.0	-55.44	305.06	2.54	-52.90
O=C(C1=CC=NN1CC1CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019849419	0	38	-1.0	-48.63	302.29	1.79	-46.84
O=C(C1=CC=NN1CC1CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019849419	1	38	-1.0	-48.66	302.22	1.79	-46.87
O=C(C1CCC(F)(F)CO1)N1CCOCC1C1=N[N-]N=N1	REAL300019849420	0	35	-1.0	-59.10	281.28	0.82	-58.28
O=C(C1CCC(F)(F)CO1)N1CCOCC1C1=NN=N[N-]1	REAL300019849420	1	35	-1.0	-59.14	281.35	0.82	-58.32
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCOCC1C1=NN=N[N-]1	REAL300019849421	0	37	-1.0	-48.70	323.91	2.95	-45.75
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCOCC1C1=N[N-]N=N1	REAL300019849421	1	37	-1.0	-48.68	323.88	2.94	-45.74
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCOCC1C1=NN=N[N-]1	REAL300019849422	0	37	-1.0	-48.45	334.23	3.40	-45.05
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCOCC1C1=N[N-]N=N1	REAL300019849422	1	37	-1.0	-48.45	334.20	3.39	-45.06
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCOCC1C1=NN=N[N-]1	REAL300019849423	0	37	-1.0	-50.72	334.33	3.39	-47.33
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCOCC1C1=N[N-]N=N1	REAL300019849423	1	37	-1.0	-50.67	334.27	3.39	-47.28
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCOCC3C3=N[N-]N=N3)N2C)C=C1	REAL300019849424	0	50	-1.0	-59.36	400.75	5.79	-53.57
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCOCC3C3=NN=N[N-]3)N2C)C=C1	REAL300019849424	1	50	-1.0	-59.39	400.82	5.81	-53.58
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC2=CC(F)=CC(F)=C21	REAL300019849425	0	38	-1.0	-50.53	314.49	2.83	-47.70
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)NC2=CC(F)=CC(F)=C21	REAL300019849425	1	38	-1.0	-50.51	314.55	2.86	-47.65
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849426	0	50	-1.0	-58.00	397.14	1.18	-56.82
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849426	1	50	-1.0	-58.02	397.21	1.19	-56.83
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849427	0	54	-1.0	-52.82	404.90	1.80	-51.02
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849427	1	54	-1.0	-52.86	404.97	1.80	-51.06
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019849428	0	31	-1.0	-59.23	280.32	2.20	-57.03
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019849428	1	31	-1.0	-59.22	280.39	2.23	-56.99
COC(=O)CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849429	0	40	-1.0	-58.15	329.72	3.01	-55.14
COC(=O)CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849429	1	40	-1.0	-58.10	329.79	3.02	-55.08
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849430	0	57	-1.0	-52.25	428.91	0.75	-51.50
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849430	1	57	-1.0	-52.29	428.96	0.75	-51.54
NC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(F)C(F)=C1F	REAL300019849431	0	33	-1.0	-43.06	285.58	-0.02	-43.08
NC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(F)C(F)=C1F	REAL300019849431	1	33	-1.0	-43.11	285.64	-0.02	-43.13
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849432	0	54	-1.0	-68.57	402.53	3.61	-64.96
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849432	1	54	-1.0	-68.63	402.61	3.65	-64.98
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849433	0	48	-1.0	-64.97	366.45	1.67	-63.30
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849433	1	48	-1.0	-64.98	366.50	1.69	-63.29
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849434	0	56	-1.0	-47.57	395.84	3.41	-44.16
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849434	1	56	-1.0	-47.60	395.90	3.42	-44.18
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849435	0	57	-1.0	-48.44	430.30	0.76	-47.68
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849435	1	57	-1.0	-48.44	430.33	0.78	-47.66
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CO1	REAL300019849436	0	47	-1.0	-49.35	379.54	-1.92	-51.27
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CO1	REAL300019849436	1	47	-1.0	-49.38	379.61	-1.93	-51.31
CN(C)C1=CC=C(Br)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849437	0	39	-1.0	-54.17	321.44	2.60	-51.57
CN(C)C1=CC=C(Br)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849437	1	39	-1.0	-54.15	321.51	2.61	-51.54
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849438	0	41	-1.0	-59.35	334.06	0.12	-59.23
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849438	1	41	-1.0	-59.38	334.13	0.12	-59.26
O=C(C1=NN2CC(F)CC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849439	0	35	-1.0	-59.60	287.47	1.10	-58.50
O=C(C1=NN2CC(F)CC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849439	1	35	-1.0	-59.60	287.52	1.12	-58.48
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCOCC1C1=N[N-]N=N1	REAL300019849440	0	32	-1.0	-51.14	287.90	0.78	-50.36
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCOCC1C1=NN=N[N-]1	REAL300019849440	1	32	-1.0	-51.22	287.96	0.78	-50.44
CC1=CC2=C(C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)N2)O1	REAL300019849441	0	35	-1.0	-55.05	288.08	0.98	-54.07
CC1=CC2=C(C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)N2)O1	REAL300019849441	1	35	-1.0	-55.11	288.15	0.98	-54.13
CC(C)C1=CNC2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=NC2=C1	REAL300019849442	0	43	-1.0	-68.72	342.06	2.50	-66.22
CC(C)C1=CNC2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=NC2=C1	REAL300019849442	1	43	-1.0	-68.67	342.12	2.50	-66.17
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCOCC1C1=N[N-]N=N1	REAL300019849443	0	37	-1.0	-51.26	323.83	1.79	-49.47
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCOCC1C1=NN=N[N-]1	REAL300019849443	1	37	-1.0	-51.28	323.90	1.80	-49.48
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849444	0	33	-1.0	-70.12	298.12	1.14	-68.98
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849444	1	33	-1.0	-70.15	298.19	1.15	-69.00
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849445	0	54	-1.0	-61.73	410.73	0.69	-61.04
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849445	1	54	-1.0	-61.72	410.80	0.70	-61.02
C#CCC1(C(=O)N2CCOCC2C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019849446	0	53	-1.0	-69.91	405.28	3.18	-66.73
C#CCC1(C(=O)N2CCOCC2C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019849446	1	53	-1.0	-69.93	405.34	3.17	-66.76
CCOC1=CC(Br)=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1N	REAL300019849447	0	40	-1.0	-47.13	339.02	0.73	-46.40
CCOC1=CC(Br)=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1N	REAL300019849447	1	40	-1.0	-47.18	339.09	0.73	-46.45
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCOCC1C1=N[N-]N=N1	REAL300019849448	0	38	-1.0	-56.91	325.63	4.46	-52.45
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCOCC1C1=NN=N[N-]1	REAL300019849448	1	38	-1.0	-56.88	325.70	4.47	-52.41
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849449	0	51	-1.0	-50.37	390.31	0.79	-49.58
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849449	1	51	-1.0	-50.36	390.38	0.80	-49.56
C=CCN(CCC(=O)N1CCOCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019849450	0	51	-1.0	-55.09	400.78	3.62	-51.47
C=CCN(CCC(=O)N1CCOCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019849450	1	51	-1.0	-55.14	400.85	3.64	-51.50
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849451	0	54	-1.0	-64.17	406.66	3.14	-61.03
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849451	1	54	-1.0	-64.18	406.72	3.15	-61.03
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL300019849452	0	40	-1.0	-53.44	315.44	4.59	-48.85
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL300019849452	1	40	-1.0	-53.43	315.39	4.58	-48.85
COC1=CC=CC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL300019849453	0	40	-1.0	-51.87	327.55	0.21	-51.66
COC1=CC=CC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL300019849453	1	40	-1.0	-51.85	327.61	0.24	-51.61
CN1N=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C2=C1CCOC2	REAL300019849454	0	39	-1.0	-58.39	309.35	-0.06	-58.45
CN1N=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C2=C1CCOC2	REAL300019849454	1	39	-1.0	-58.41	309.42	-0.04	-58.45
CC1=CC=CC([C@@H](C)C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849455	0	40	-1.0	-53.85	314.01	3.62	-50.23
CC1=CC=CC([C@@H](C)C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849455	1	40	-1.0	-53.84	314.08	3.62	-50.22
COC1=CC(C)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019849456	0	37	-1.0	-48.55	301.34	-0.95	-49.50
COC1=CC(C)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019849456	1	37	-1.0	-48.57	301.40	-0.94	-49.51
CN1C(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC2=C1C=CS2	REAL300019849457	0	35	-1.0	-51.12	294.61	2.29	-48.83
CN1C(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC2=C1C=CS2	REAL300019849457	1	35	-1.0	-51.12	294.54	2.27	-48.85
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=NN1CC(F)F	REAL300019849458	0	37	-1.0	-52.52	304.12	0.88	-51.64
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=NN1CC(F)F	REAL300019849458	1	37	-1.0	-52.54	304.19	0.90	-51.64
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=NN1C1CCC1	REAL300019849459	0	41	-1.0	-51.77	318.84	2.13	-49.64
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=NN1C1CCC1	REAL300019849459	1	41	-1.0	-51.78	318.91	2.16	-49.62
O=C(C1=C2CCCCC2=CN1)N1CCOCC1C1=N[N-]N=N1	REAL300019849460	0	39	-1.0	-57.37	300.09	2.47	-54.90
O=C(C1=C2CCCCC2=CN1)N1CCOCC1C1=NN=N[N-]1	REAL300019849460	1	39	-1.0	-57.37	300.15	2.50	-54.87
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)CO1	REAL300019849461	0	52	-1.0	-62.90	397.99	-0.61	-63.51
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)CO1	REAL300019849461	1	52	-1.0	-62.92	398.06	-0.59	-63.51
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849462	0	51	-1.0	-49.61	389.19	-0.81	-50.42
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849462	1	51	-1.0	-49.57	389.13	-0.84	-50.41
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019849463	0	54	-1.0	-62.13	406.39	3.49	-58.64
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019849463	1	54	-1.0	-62.08	406.46	3.50	-58.58
COC1(C(=O)N2CCOCC2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019849464	0	49	-1.0	-47.90	379.92	0.36	-47.54
COC1(C(=O)N2CCOCC2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019849464	1	49	-1.0	-47.88	379.98	0.37	-47.51
CC(C)(C)OC(=O)NC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1CC(C)(C)C1	REAL300019849465	0	57	-1.0	-48.33	419.04	3.04	-45.29
CC(C)(C)OC(=O)NC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1CC(C)(C)C1	REAL300019849465	1	57	-1.0	-48.33	419.11	3.06	-45.27
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849466	0	55	-1.0	-62.54	403.35	-0.55	-63.09
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849466	1	55	-1.0	-57.27	403.57	-0.42	-57.69
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019849467	0	57	-1.0	-52.36	412.35	2.13	-50.23
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019849467	1	57	-1.0	-52.34	412.42	2.14	-50.20
CC1=NN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C(C)=C1C	REAL300019849468	0	40	-1.0	-58.71	321.25	1.63	-57.08
CC1=NN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C(C)=C1C	REAL300019849468	1	40	-1.0	-58.70	321.31	1.65	-57.05
CC(=O)C1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CS1	REAL300019849469	0	32	-1.0	-54.52	284.33	-0.00	-54.52
CC(=O)C1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CS1	REAL300019849469	1	32	-1.0	-54.54	284.40	0.02	-54.52
COC1=NN(C)C(Br)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849470	0	35	-1.0	-53.22	316.23	-1.95	-55.17
COC1=NN(C)C(Br)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849470	1	35	-1.0	-53.25	316.16	-1.96	-55.21
CC(=O)NC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(F)=C1	REAL300019849471	0	38	-1.0	-71.39	313.05	0.61	-70.78
CC(=O)NC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(F)=C1	REAL300019849471	1	38	-1.0	-71.39	313.09	0.63	-70.76
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849472	0	55	-1.0	-54.90	421.47	0.15	-54.75
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849472	1	55	-1.0	-54.93	421.54	0.17	-54.76
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCOCC1C1=N[N-]N=N1	REAL300019849473	0	34	-1.0	-54.22	301.26	1.88	-52.34
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCOCC1C1=NN=N[N-]1	REAL300019849473	1	34	-1.0	-54.25	301.33	1.90	-52.35
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C2)CC1	REAL300019849474	0	44	-1.0	-73.62	363.83	1.16	-72.46
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C2)CC1	REAL300019849474	1	44	-1.0	-73.68	363.94	1.16	-72.52
CC1=C2C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)SC2=C(C)S1	REAL300019849475	0	37	-1.0	-53.27	326.80	3.59	-49.68
CC1=C2C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)SC2=C(C)S1	REAL300019849475	1	37	-1.0	-53.27	326.86	3.59	-49.68
O=C(C1CCCC2=NN=CN21)N1CCOCC1C1=N[N-]N=N1	REAL300019849476	0	37	-1.0	-59.91	293.04	2.40	-57.51
O=C(C1CCCC2=NN=CN21)N1CCOCC1C1=NN=N[N-]1	REAL300019849476	1	37	-1.0	-59.90	293.10	2.42	-57.48
CC1(C)CCCC(CC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019849477	0	44	-1.0	-56.72	328.65	2.63	-54.09
CC1(C)CCCC(CC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019849477	1	44	-1.0	-56.78	328.72	2.66	-54.12
COC(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CN=C1	REAL300019849478	0	37	-1.0	-60.32	300.74	0.65	-59.67
COC(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CN=C1	REAL300019849478	1	37	-1.0	-60.31	300.69	0.63	-59.68
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849479	0	34	-1.0	-55.12	320.91	4.03	-51.09
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849479	1	34	-1.0	-55.13	320.98	4.05	-51.08
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCOCC1C1=N[N-]N=N1)C2	REAL300019849480	0	43	-1.0	-65.73	327.29	-1.04	-66.77
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCOCC1C1=NN=N[N-]1)C2	REAL300019849480	1	43	-1.0	-65.71	327.34	-1.02	-66.73
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849481	0	38	-1.0	-54.80	319.76	4.14	-50.66
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849481	1	38	-1.0	-54.82	319.82	4.14	-50.68
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCOCC1C1=N[N-]N=N1)C3=O	REAL300019849482	0	47	-1.0	-57.91	367.67	4.57	-53.34
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCOCC1C1=NN=N[N-]1)C3=O	REAL300019849482	1	47	-1.0	-57.90	367.74	4.59	-53.31
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCOCC1C1=N[N-]N=N1)=C2	REAL300019849483	0	45	-1.0	-62.05	355.42	3.40	-58.65
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCOCC1C1=NN=N[N-]1)=C2	REAL300019849483	1	45	-1.0	-62.03	355.49	3.43	-58.60
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849484	0	39	-1.0	-63.81	318.42	2.42	-61.39
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849484	1	39	-1.0	-63.82	318.48	2.45	-61.37
COC1=CC2=NC=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C2C=C1	REAL300019849485	0	40	-1.0	-52.97	323.01	1.33	-51.64
COC1=CC2=NC=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=C2C=C1	REAL300019849485	1	40	-1.0	-52.99	322.94	1.33	-51.66
O=C(C1=CC=NC2=C1CCC2)N1CCOCC1C1=N[N-]N=N1	REAL300019849486	0	37	-1.0	-53.76	292.06	1.67	-52.09
O=C(C1=CC=NC2=C1CCC2)N1CCOCC1C1=NN=N[N-]1	REAL300019849486	1	37	-1.0	-53.74	292.13	1.70	-52.04
CCSC1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019849487	0	44	-1.0	-57.66	333.73	3.75	-53.91
CCSC1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019849487	1	44	-1.0	-57.64	333.80	3.75	-53.89
CC1=CC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)=CC(C)=N1	REAL300019849488	0	42	-1.0	-51.35	339.59	2.91	-48.44
CC1=CC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)=CC(C)=N1	REAL300019849488	1	42	-1.0	-51.37	339.66	2.93	-48.44
CC1=CC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019849489	0	40	-1.0	-57.03	320.42	4.49	-52.54
CC1=CC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019849489	1	40	-1.0	-56.99	320.35	4.49	-52.50
O=C(CCC1=CC=CC(=O)N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849490	0	37	-1.0	-54.50	306.19	0.25	-54.25
O=C(CCC1=CC=CC(=O)N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849490	1	37	-1.0	-54.48	306.26	0.26	-54.22
O=C(C1=CSC(Cl)=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019849491	0	28	-1.0	-54.78	274.30	1.72	-53.06
O=C(C1=CSC(Cl)=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019849491	1	28	-1.0	-54.74	274.38	1.75	-52.99
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849492	0	43	-1.0	-66.78	343.18	1.03	-65.75
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849492	1	43	-1.0	-66.79	343.25	1.04	-65.75
CC1=NN(C2CCC2)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849493	0	41	-1.0	-56.12	320.46	1.95	-54.17
CC1=NN(C2CCC2)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849493	1	41	-1.0	-56.11	320.53	1.97	-54.14
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849494	0	38	-1.0	-54.21	318.76	2.82	-51.39
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849494	1	38	-1.0	-54.18	318.69	2.81	-51.37
O=C(C1=CNC=C1Br)N1CCOCC1C1=N[N-]N=N1	REAL300019849495	0	29	-1.0	-60.76	259.35	0.12	-60.64
O=C(C1=CNC=C1Br)N1CCOCC1C1=NN=N[N-]1	REAL300019849495	1	29	-1.0	-60.77	259.42	0.16	-60.61
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849496	0	41	-1.0	-66.13	353.36	1.61	-64.52
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849496	1	41	-1.0	-66.14	353.43	1.62	-64.52
CCC1=C(C)SC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849497	0	37	-1.0	-53.45	301.25	2.76	-50.69
CCC1=C(C)SC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849497	1	37	-1.0	-53.44	301.32	2.79	-50.65
O=C(C1CC(OC(F)(F)F)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849498	0	35	-1.0	-54.41	298.64	0.47	-53.94
O=C(C1CC(OC(F)(F)F)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849498	1	35	-1.0	-54.41	298.71	0.48	-53.93
CS(=O)(=O)C1=COC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849499	0	34	-1.0	-60.53	299.05	-2.54	-63.07
CS(=O)(=O)C1=COC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849499	1	34	-1.0	-60.52	299.11	-2.52	-63.04
O=C(CC1=CC=C2COCCC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849500	0	42	-1.0	-53.00	333.41	2.75	-50.25
O=C(CC1=CC=C2COCCC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849500	1	42	-1.0	-53.01	333.48	2.77	-50.24
O=C(CC1=CC=C2CCOCC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849501	0	42	-1.0	-53.09	333.42	2.74	-50.35
O=C(CC1=CC=C2CCOCC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849501	1	42	-1.0	-53.12	333.49	2.76	-50.36
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849502	0	40	-1.0	-50.92	328.70	3.18	-47.74
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849502	1	40	-1.0	-50.93	328.63	3.18	-47.75
CC1=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1Br	REAL300019849503	0	33	-1.0	-48.94	289.13	1.83	-47.11
CC1=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1Br	REAL300019849503	1	33	-1.0	-48.93	289.20	1.85	-47.08
COC1=CC(Br)=CN=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849504	0	34	-1.0	-53.12	298.16	1.78	-51.34
COC1=CC(Br)=CN=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849504	1	34	-1.0	-53.09	298.10	1.77	-51.32
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849505	0	40	-1.0	-65.75	336.09	-0.78	-66.53
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849505	1	40	-1.0	-65.71	336.16	-0.78	-66.49
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849506	0	38	-1.0	-63.65	317.33	2.86	-60.79
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849506	1	38	-1.0	-63.64	317.40	2.87	-60.77
CCC1=CC=C(N2C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)N=N2)C=C1	REAL300019849507	0	43	-1.0	-48.07	352.39	3.35	-44.72
CCC1=CC=C(N2C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)N=N2)C=C1	REAL300019849507	1	43	-1.0	-48.05	352.32	3.34	-44.71
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849508	0	46	-1.0	-55.92	382.80	1.03	-54.89
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849508	1	46	-1.0	-55.94	382.86	1.03	-54.91
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849509	0	46	-1.0	-62.83	382.77	1.02	-61.81
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849509	1	46	-1.0	-62.85	382.84	1.04	-61.81
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849510	0	36	-2.0	-98.52	316.08	0.25	-98.27
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849510	1	36	-2.0	-98.57	316.14	0.27	-98.30
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849511	0	41	-1.0	-56.37	355.02	4.15	-52.22
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849511	1	41	-1.0	-56.36	354.93	4.14	-52.22
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CN(C)C1=O	REAL300019849512	0	37	-1.0	-50.45	297.45	1.07	-49.38
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CN(C)C1=O	REAL300019849512	1	37	-1.0	-50.46	297.52	1.07	-49.39
O=C(CC1CCCC(F)(F)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849513	0	40	-1.0	-59.58	311.05	3.05	-56.53
O=C(CC1CCCC(F)(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849513	1	40	-1.0	-59.59	311.12	3.06	-56.53
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849514	0	52	-1.0	-53.43	378.54	6.40	-47.03
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849514	1	52	-1.0	-53.39	378.60	6.42	-46.97
O=C(CC1CC(C(F)F)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849515	0	37	-1.0	-50.64	299.69	2.57	-48.07
O=C(CC1CC(C(F)F)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849515	1	37	-1.0	-50.64	299.75	2.58	-48.06
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849516	0	42	-1.0	-50.79	340.07	3.47	-47.32
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849516	1	42	-1.0	-50.81	340.13	3.48	-47.33
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849517	0	39	-1.0	-48.05	328.41	1.69	-46.36
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849517	1	39	-1.0	-48.05	328.48	1.70	-46.35
CC1(C)CCC(=O)C2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC=C21	REAL300019849518	0	46	-1.0	-66.72	351.38	4.00	-62.72
CC1(C)CCC(=O)C2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CC=C21	REAL300019849518	1	46	-1.0	-66.73	351.45	4.01	-62.72
CC1=CC(Cl)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL300019849519	0	31	-1.0	-53.50	283.03	1.92	-51.58
CC1=CC(Cl)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL300019849519	1	31	-1.0	-53.56	283.10	1.93	-51.63
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCOCC1C1=NN=N[N-]1	REAL300019849520	0	33	-1.0	-48.62	306.68	1.81	-46.81
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCOCC1C1=N[N-]N=N1	REAL300019849520	1	33	-1.0	-48.66	306.61	1.82	-46.84
O=C(C1CCC(=O)N(C2CC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849521	0	42	-1.0	-52.60	321.23	1.34	-51.26
O=C(C1CCC(=O)N(C2CC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849521	1	42	-1.0	-52.61	321.29	1.35	-51.26
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849522	0	47	-1.0	-53.84	364.16	1.49	-52.35
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849522	1	47	-1.0	-53.85	364.22	1.50	-52.35
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849523	0	44	-1.0	-58.78	351.85	3.15	-55.63
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849523	1	44	-1.0	-58.78	351.92	3.17	-55.61
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCOCC1C1=N[N-]N=N1	REAL300019849524	0	38	-1.0	-54.71	328.13	4.43	-50.28
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCOCC1C1=NN=N[N-]1	REAL300019849524	1	38	-1.0	-54.70	328.20	4.44	-50.26
N#CC1=CN=C(Cl)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849525	0	31	-1.0	-55.45	282.99	0.56	-54.89
N#CC1=CN=C(Cl)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849525	1	31	-1.0	-55.41	282.93	0.53	-54.88
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849526	0	36	-1.0	-76.05	290.80	0.31	-75.74
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849526	1	36	-1.0	-76.05	290.74	0.28	-75.77
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849527	0	41	-1.0	-50.78	333.16	1.30	-49.48
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849527	1	41	-1.0	-50.77	333.23	1.32	-49.45
CCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1Cl	REAL300019849528	0	37	-1.0	-50.31	309.46	3.41	-46.90
CCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1Cl	REAL300019849528	1	37	-1.0	-50.36	309.51	3.42	-46.94
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849529	0	45	-1.0	-52.41	357.11	0.84	-51.57
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849529	1	45	-1.0	-52.41	357.05	0.83	-51.58
O=C(C1=CC=C(CC2CC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849530	0	41	-1.0	-55.11	327.29	4.57	-50.54
O=C(C1=CC=C(CC2CC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849530	1	41	-1.0	-55.15	327.36	4.58	-50.57
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849531	0	33	-1.0	-48.78	307.40	2.76	-46.02
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849531	1	33	-1.0	-48.71	307.34	2.76	-45.95
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849532	0	34	-1.0	-52.13	301.44	2.54	-49.59
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849532	1	34	-1.0	-52.12	301.52	2.54	-49.58
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCOCC1C1=NN=N[N-]1	REAL300019849533	0	33	-1.0	-58.34	302.47	1.63	-56.71
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCOCC1C1=N[N-]N=N1	REAL300019849533	1	33	-1.0	-58.35	302.40	1.63	-56.72
N#CC1=CC=C(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C(F)=C1	REAL300019849534	0	38	-1.0	-52.41	327.84	3.87	-48.54
N#CC1=CC=C(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C(F)=C1	REAL300019849534	1	38	-1.0	-52.45	327.90	3.88	-48.57
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849535	0	37	-1.0	-57.41	308.58	-1.12	-58.53
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849535	1	37	-1.0	-57.42	308.65	-1.09	-58.51
O=C(C1=CN=C2CCCCC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849536	0	40	-1.0	-51.40	310.75	2.17	-49.23
O=C(C1=CN=C2CCCCC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849536	1	40	-1.0	-51.42	310.82	2.17	-49.25
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849537	0	39	-1.0	-48.21	319.64	3.78	-44.43
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849537	1	39	-1.0	-48.21	319.69	3.80	-44.41
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019849538	0	41	-1.0	-47.47	329.13	4.67	-42.80
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019849538	1	41	-1.0	-47.44	329.20	4.68	-42.76
COCCN1C=CC2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC=C21	REAL300019849539	0	45	-1.0	-59.43	362.16	3.28	-56.15
COCCN1C=CC2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CC=C21	REAL300019849539	1	45	-1.0	-59.43	362.23	3.28	-56.15
CC(C)N1C=CC2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC=C21	REAL300019849540	0	44	-1.0	-59.94	346.51	4.69	-55.25
CC(C)N1C=CC2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CC=C21	REAL300019849540	1	44	-1.0	-59.97	346.58	4.70	-55.27
O=C(C=CC1=CC=C2OCOC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849541	0	38	-1.0	-56.43	314.23	2.00	-54.43
O=C(C=CC1=CC=C2OCOC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849541	1	38	-1.0	-56.43	314.29	2.00	-54.43
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849542	0	36	-1.0	-59.70	312.70	2.58	-57.12
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849542	1	36	-1.0	-59.70	312.63	2.58	-57.12
O=C(C1=CC=CC2=NN=CN21)N1CCOCC1C1=NN=N[N-]1	REAL300019849543	0	33	-1.0	-53.47	280.53	2.83	-50.64
O=C(C1=CC=CC2=NN=CN21)N1CCOCC1C1=N[N-]N=N1	REAL300019849543	1	33	-1.0	-53.46	280.47	2.80	-50.66
C=CCOCC(C(=O)N1CCOCC1C1=N[N-]N=N1)C(C)(C)C	REAL300019849544	0	47	-1.0	-49.34	347.40	2.91	-46.43
C=CCOCC(C(=O)N1CCOCC1C1=NN=N[N-]1)C(C)(C)C	REAL300019849544	1	47	-1.0	-49.33	347.46	2.92	-46.41
CC12CCCN1S(=O)(=O)C(C(=O)N1CCOCC1C1=N[N-]N=N1)C2	REAL300019849545	0	43	-1.0	-60.62	337.69	-1.72	-62.34
CC12CCCN1S(=O)(=O)C(C(=O)N1CCOCC1C1=NN=N[N-]1)C2	REAL300019849545	1	43	-1.0	-60.67	337.76	-1.71	-62.38
CN1N=CC(C(F)F)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849546	0	34	-1.0	-51.86	293.47	0.50	-51.36
CN1N=CC(C(F)F)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849546	1	34	-1.0	-51.91	293.41	0.49	-51.42
CC1=NN(C2CCC2)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849547	0	41	-1.0	-51.40	320.99	2.27	-49.13
CC1=NN(C2CCC2)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849547	1	41	-1.0	-51.39	321.06	2.28	-49.11
O=C(C1=CC=NN1CCC(F)(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019849548	0	37	-1.0	-50.60	313.61	1.40	-49.20
O=C(C1=CC=NN1CCC(F)(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019849548	1	37	-1.0	-50.63	313.54	1.40	-49.23
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849549	0	42	-1.0	-55.80	350.57	3.98	-51.82
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849549	1	42	-1.0	-55.87	350.64	3.99	-51.88
CC1(C)CCCOC1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849550	0	44	-1.0	-55.76	323.79	2.26	-53.50
CC1(C)CCCOC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849550	1	44	-1.0	-55.78	323.86	2.27	-53.51
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849551	0	37	-1.0	-45.05	326.38	0.77	-44.28
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849551	1	37	-1.0	-45.04	326.44	0.80	-44.24
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019849552	0	35	-1.0	-56.83	310.72	3.82	-53.01
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019849552	1	35	-1.0	-56.84	310.79	3.82	-53.02
CC(=O)NC(COC(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849553	0	44	-1.0	-58.18	344.61	-0.39	-58.57
CC(=O)NC(COC(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849553	1	44	-1.0	-58.18	344.67	-0.37	-58.55
CC1(C)OCC(CCC(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019849554	0	42	-1.0	-51.80	331.22	0.85	-50.95
CC1(C)OCC(CCC(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019849554	1	42	-1.0	-51.85	331.29	0.87	-50.98
CCCCOC1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849555	0	48	-1.0	-54.24	382.75	5.08	-49.16
CCCCOC1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849555	1	48	-1.0	-54.24	382.82	5.08	-49.16
COC1=CC2=CC=C(CC(=O)N3CCOCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019849556	0	44	-1.0	-55.49	355.17	4.20	-51.29
COC1=CC2=CC=C(CC(=O)N3CCOCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019849556	1	44	-1.0	-55.51	355.25	4.23	-51.28
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849557	0	49	-1.0	-51.58	369.18	5.87	-45.71
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849557	1	49	-1.0	-51.61	369.23	5.88	-45.73
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849558	0	31	-1.0	-46.96	285.77	2.27	-44.69
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849558	1	31	-1.0	-46.97	285.84	2.29	-44.68
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019849559	0	37	-1.0	-56.38	316.90	2.61	-53.77
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019849559	1	37	-1.0	-56.39	316.97	2.61	-53.78
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849560	0	36	-1.0	-51.26	305.23	2.23	-49.03
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849560	1	36	-1.0	-51.25	305.16	2.22	-49.03
COC(=O)C1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019849561	0	40	-1.0	-54.28	339.20	2.02	-52.26
COC(=O)C1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019849561	1	40	-1.0	-54.26	339.27	2.05	-52.21
CC1=C(C)NC(=O)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849562	0	37	-1.0	-61.02	295.91	-0.26	-61.28
CC1=C(C)NC(=O)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849562	1	37	-1.0	-61.04	295.98	-0.24	-61.28
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849563	0	40	-1.0	-51.40	335.20	4.14	-47.26
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849563	1	40	-1.0	-51.40	335.27	4.16	-47.24
CC(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300019849564	0	40	-1.0	-49.43	327.28	4.01	-45.42
CC(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300019849564	1	40	-1.0	-49.47	327.36	4.04	-45.43
CC(C)(C)N1C=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019849565	0	43	-1.0	-56.68	342.52	2.49	-54.19
CC(C)(C)N1C=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019849565	1	43	-1.0	-56.67	342.45	2.47	-54.20
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019849566	0	38	-1.0	-61.42	316.74	1.67	-59.75
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019849566	1	38	-1.0	-61.41	316.81	1.71	-59.70
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019849567	0	31	-2.0	-115.28	281.16	1.26	-114.02
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019849567	1	31	-2.0	-115.25	281.23	1.28	-113.97
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300019849568	0	39	-1.0	-55.99	336.42	0.92	-55.07
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300019849568	1	39	-1.0	-56.05	336.50	0.93	-55.12
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849569	0	40	-1.0	-55.02	350.46	2.76	-52.26
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849569	1	40	-1.0	-55.04	350.39	2.75	-52.29
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849570	0	34	-1.0	-47.81	299.21	1.92	-45.89
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849570	1	34	-1.0	-47.82	299.29	1.93	-45.89
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849571	0	41	-1.0	-64.85	330.53	2.62	-62.23
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849571	1	41	-1.0	-64.87	330.60	2.62	-62.25
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849572	0	43	-1.0	-51.19	353.45	0.33	-50.86
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849572	1	43	-1.0	-51.18	353.51	0.33	-50.85
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849573	0	44	-1.0	-64.79	364.52	4.19	-60.60
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849573	1	44	-1.0	-64.79	364.59	4.20	-60.59
CC1=NNC2=C1CC(C(=O)N1CCOCC1C1=N[N-]N=N1)CC2	REAL300019849574	0	41	-1.0	-56.29	316.91	1.10	-55.19
CC1=NNC2=C1CC(C(=O)N1CCOCC1C1=NN=N[N-]1)CC2	REAL300019849574	1	41	-1.0	-56.28	316.97	1.12	-55.16
CC1=C2CC(C(=O)N3CCOCC3C3=N[N-]N=N3)CCC2=NN1	REAL300019849574	1	41	-1.0	-53.73	315.67	1.00	-52.73
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849575	0	42	-1.0	-53.99	339.55	1.84	-52.15
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849575	1	42	-1.0	-53.97	339.61	1.86	-52.11
CSC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019849576	0	37	-1.0	-50.69	315.77	3.16	-47.53
CSC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019849576	1	37	-1.0	-50.69	315.84	3.17	-47.52
NS(=O)(=O)C1=COC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849577	0	33	-1.0	-58.18	292.51	-5.12	-63.30
NS(=O)(=O)C1=COC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849577	1	33	-1.0	-58.18	292.56	-5.09	-63.27
N#CC1=CC2=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=NN2C=C1	REAL300019849578	0	35	-1.0	-59.39	301.21	1.79	-57.60
N#CC1=CC2=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=NN2C=C1	REAL300019849578	1	35	-1.0	-59.36	301.14	1.77	-57.59
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849579	0	41	-1.0	-51.07	339.69	2.89	-48.18
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849579	1	41	-1.0	-51.09	339.76	2.89	-48.20
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849580	0	45	-1.0	-65.16	355.29	0.48	-64.68
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849580	1	45	-1.0	-65.19	355.36	0.48	-64.71
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019849581	0	35	-1.0	-45.38	306.11	0.56	-44.82
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019849581	1	35	-1.0	-45.40	306.18	0.57	-44.83
O=C(C1=CN2N=NC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849582	0	33	-1.0	-59.30	274.76	0.09	-59.21
O=C(C1=CN2N=NC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849582	1	33	-1.0	-59.33	274.70	0.08	-59.25
C[C@@H]1CC2=C(C(=O)N3CCOCC3C3=N[N-]N=N3)NN=C2[C@H](C)O1	REAL300019849583	0	42	-1.0	-49.32	330.72	0.01	-49.31
C[C@@H]1CC2=C(C(=O)N3CCOCC3C3=NN=N[N-]3)NN=C2[C@H](C)O1	REAL300019849583	1	42	-1.0	-49.29	330.77	0.03	-49.26
C[C@@H]1CC2=C(NN=C2C(=O)N2CCOCC2C2=N[N-]N=N2)[C@H](C)O1	REAL300019849583	1	42	-1.0	-54.73	330.13	0.12	-54.61
C[C@@H]1CC2=C(NN=C2C(=O)N2CCOCC2C2=NN=N[N-]2)[C@H](C)O1	REAL300019849583	1	42	-1.0	-54.72	330.20	0.13	-54.59
O=C(CCC1=C(Br)C=CS1)N1CCOCC1C1=N[N-]N=N1	REAL300019849584	0	34	-1.0	-50.42	311.23	3.10	-47.32
O=C(CCC1=C(Br)C=CS1)N1CCOCC1C1=NN=N[N-]1	REAL300019849584	1	34	-1.0	-50.43	311.29	3.10	-47.33
O=C(CCNC1=CN=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849585	0	37	-1.0	-55.19	305.13	-0.36	-55.55
O=C(CCNC1=CN=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849585	1	37	-1.0	-55.21	305.07	-0.37	-55.58
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849586	0	37	-1.0	-57.96	323.46	2.77	-55.19
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849586	1	37	-1.0	-57.96	323.53	2.78	-55.18
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849586	1	37	-1.0	-56.46	322.91	2.79	-53.67
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849586	1	37	-1.0	-56.49	322.98	2.82	-53.67
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849587	0	52	-1.0	-62.14	390.22	4.70	-57.44
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849587	1	52	-1.0	-62.13	390.30	4.71	-57.42
O=C(C1CCCC(F)(F)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019849588	0	40	-1.0	-51.93	300.72	2.44	-49.49
O=C(C1CCCC(F)(F)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019849588	1	40	-1.0	-51.92	300.79	2.44	-49.48
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849589	0	38	-1.0	-55.83	308.01	1.05	-54.78
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849589	1	38	-1.0	-55.86	308.08	1.08	-54.78
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL300019849590	0	39	-1.0	-71.61	323.98	3.12	-68.49
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL300019849590	1	39	-1.0	-71.58	324.05	3.13	-68.45
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849591	0	38	-1.0	-54.93	314.24	3.80	-51.13
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849591	1	38	-1.0	-54.94	314.31	3.81	-51.13
O=C(CCCCCC(=O)N1CCOCC1C1=N[N-]N=N1)NC1=CC=CC=C1	REAL300019849592	0	50	-1.0	-65.76	399.40	4.08	-61.68
O=C(CCCCCC(=O)N1CCOCC1C1=NN=N[N-]1)NC1=CC=CC=C1	REAL300019849592	1	50	-1.0	-65.73	399.47	4.10	-61.63
O=C(C1CCC2=CC=NN2C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849593	0	38	-1.0	-51.49	300.18	1.13	-50.36
O=C(C1CCC2=CC=NN2C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849593	1	38	-1.0	-51.46	300.25	1.14	-50.32
O=C(C1=C2C=NSC2=CC=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849594	0	33	-1.0	-59.14	281.66	1.66	-57.48
O=C(C1=C2C=NSC2=CC=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849594	1	33	-1.0	-59.13	281.60	1.64	-57.49
O=C(C1=CC=CC2=NON=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849595	0	32	-1.0	-66.68	268.80	0.43	-66.25
O=C(C1=CC=CC2=NON=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849595	1	32	-1.0	-66.71	268.73	0.42	-66.29
CS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300019849596	0	37	-1.0	-59.05	326.73	-0.40	-59.45
CS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300019849596	1	37	-1.0	-59.02	326.80	-0.39	-59.41
NC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C(F)C(Br)=C1F	REAL300019849597	0	33	-1.0	-42.91	299.25	0.50	-42.41
NC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C(F)C(Br)=C1F	REAL300019849597	1	33	-1.0	-42.95	299.32	0.50	-42.45
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NO1	REAL300019849598	0	47	-1.0	-49.88	378.71	0.27	-49.61
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NO1	REAL300019849598	1	47	-1.0	-49.84	378.76	0.29	-49.55
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019849599	0	36	-1.0	-48.62	312.58	2.45	-46.17
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019849599	1	36	-1.0	-48.64	312.66	2.46	-46.18
CN(C)C1=CC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019849600	0	45	-1.0	-57.34	350.33	4.22	-53.12
CN(C)C1=CC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019849600	1	45	-1.0	-57.38	350.40	4.23	-53.15
COC1(CC(=O)N2CCOCC2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019849601	0	52	-1.0	-60.12	401.84	1.41	-58.71
COC1(CC(=O)N2CCOCC2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019849601	1	52	-1.0	-60.08	401.93	1.43	-58.65
C#CC1=CC=C(C2CC2C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849602	0	40	-1.0	-55.23	333.96	5.17	-50.06
C#CC1=CC=C(C2CC2C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849602	1	40	-1.0	-55.19	334.02	5.18	-50.01
CN1N=CC2=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300019849603	0	43	-1.0	-54.59	345.44	2.71	-51.88
CN1N=CC2=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300019849603	1	43	-1.0	-54.63	345.51	2.73	-51.90
COC1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C(OC)=C1OC	REAL300019849604	0	47	-1.0	-60.46	382.64	2.48	-57.98
COC1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C(OC)=C1OC	REAL300019849604	1	47	-1.0	-60.47	382.70	2.47	-58.00
O=C(C1=C2C(=O)NCCN2N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849605	0	36	-1.0	-68.59	291.42	-1.86	-70.45
O=C(C1=C2C(=O)NCCN2N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849605	1	36	-1.0	-68.61	291.36	-1.90	-70.51
CC=CC1=CC=C(OCC(=O)N2CCOCC2C2=N[N-]N=N2)C(OC)=C1	REAL300019849606	0	46	-1.0	-63.24	370.69	4.17	-59.07
CC=CC1=CC=C(OCC(=O)N2CCOCC2C2=NN=N[N-]2)C(OC)=C1	REAL300019849606	1	46	-1.0	-63.25	370.75	4.20	-59.05
O=C(C1CC(=O)CC12CCC2)N1CCOCC1C1=N[N-]N=N1	REAL300019849607	0	40	-1.0	-50.80	304.40	2.40	-48.40
O=C(C1CC(=O)CC12CCC2)N1CCOCC1C1=NN=N[N-]1	REAL300019849607	1	40	-1.0	-50.80	304.47	2.42	-48.38
CC1=CNC2=NC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C12	REAL300019849608	0	37	-1.0	-56.20	301.20	1.45	-54.75
CC1=CNC2=NC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C12	REAL300019849608	1	37	-1.0	-56.14	301.13	1.44	-54.70
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849609	0	55	-1.0	-57.73	415.73	1.70	-56.03
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849609	1	55	-1.0	-57.69	415.80	1.72	-55.97
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849610	0	55	-1.0	-55.11	397.25	3.10	-52.01
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849610	1	55	-1.0	-55.09	397.32	3.11	-51.98
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019849611	0	38	-1.0	-56.00	315.11	0.27	-55.73
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019849611	1	38	-1.0	-56.00	315.18	0.30	-55.70
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019849612	0	48	-1.0	-52.44	365.46	4.47	-47.97
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019849612	1	48	-1.0	-52.52	365.67	4.44	-48.08
CC1=NN=C(CC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2)O1	REAL300019849613	0	42	-1.0	-58.09	347.69	-1.05	-59.14
CC1=NN=C(CC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2)O1	REAL300019849613	1	42	-1.0	-58.11	347.75	-1.05	-59.16
O=C(C1CC2=CC=CN=C2C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849614	0	37	-1.0	-55.72	291.25	1.70	-54.02
O=C(C1CC2=CC=CN=C2C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849614	1	37	-1.0	-55.67	291.31	1.72	-53.95
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849615	0	37	-1.0	-60.90	317.41	4.34	-56.56
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849615	1	37	-1.0	-60.89	317.48	4.35	-56.54
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849616	0	43	-1.0	-53.43	350.25	5.33	-48.10
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849616	1	43	-1.0	-53.44	350.32	5.34	-48.10
CC1=CC2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL300019849617	0	39	-1.0	-51.10	321.72	2.60	-48.50
CC1=CC2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL300019849617	1	39	-1.0	-51.11	321.65	2.59	-48.52
CN1C=C(C2=NC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CO2)C=N1	REAL300019849618	0	37	-1.0	-52.31	315.92	-0.91	-53.22
CN1C=C(C2=NC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CO2)C=N1	REAL300019849618	1	37	-1.0	-52.32	315.85	-0.94	-53.26
COC1=C2C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)NC2=C(C)C=C1	REAL300019849619	0	42	-1.0	-57.36	336.55	2.03	-55.33
COC1=C2C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)NC2=C(C)C=C1	REAL300019849619	1	42	-1.0	-57.38	336.48	2.02	-55.36
CCCCOC1=CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849620	0	47	-1.0	-53.08	374.51	4.46	-48.62
CCCCOC1=CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849620	1	47	-1.0	-53.09	374.58	4.47	-48.62
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL300019849621	0	48	-1.0	-61.52	389.88	0.82	-60.70
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL300019849621	1	48	-1.0	-61.51	389.95	0.83	-60.68
COC1=NC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2C=C1	REAL300019849622	0	40	-1.0	-53.12	326.22	0.46	-52.66
COC1=NC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2C=C1	REAL300019849622	1	40	-1.0	-53.08	326.15	0.45	-52.63
CC1=CN2C(C(=O)N3CCOCC3C3=NN=N[N-]3)=CN=C2S1	REAL300019849623	0	34	-1.0	-54.42	292.32	1.92	-52.50
CC1=CN2C(C(=O)N3CCOCC3C3=N[N-]N=N3)=CN=C2S1	REAL300019849623	1	34	-1.0	-54.38	292.24	1.92	-52.46
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849624	0	41	-1.0	-50.79	349.08	3.01	-47.78
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849624	1	41	-1.0	-50.74	349.14	3.03	-47.71
O=C(C1=CC(Cl)=C(Cl)S1)N1CCOCC1C1=N[N-]N=N1	REAL300019849625	0	28	-1.0	-48.21	277.79	1.70	-46.51
O=C(C1=CC(Cl)=C(Cl)S1)N1CCOCC1C1=NN=N[N-]1	REAL300019849625	1	28	-1.0	-48.24	277.87	1.70	-46.54
CC(C)(C)C1=CC=NC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849626	0	42	-1.0	-54.91	326.17	3.12	-51.79
CC(C)(C)C1=CC=NC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849626	1	42	-1.0	-54.89	326.11	3.11	-51.78
COC1CC2(C1)CCC(C(=O)N1CCOCC1C1=N[N-]N=N1)CC2	REAL300019849627	0	48	-1.0	-55.72	357.74	2.71	-53.01
COC1CC2(C1)CCC(C(=O)N1CCOCC1C1=NN=N[N-]1)CC2	REAL300019849627	1	48	-1.0	-55.70	357.80	2.73	-52.97
CCCC(CCC1=CC=CC=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849628	0	49	-1.0	-54.49	374.00	6.01	-48.48
CCCC(CCC1=CC=CC=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849628	1	49	-1.0	-54.53	374.06	6.04	-48.49
CCC(C)(C)C1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019849629	0	52	-1.0	-52.84	361.91	4.53	-48.31
CCC(C)(C)C1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019849629	1	52	-1.0	-52.83	361.98	4.54	-48.29
CC1=CC2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CN=C2C=C1	REAL300019849630	0	39	-1.0	-52.20	315.49	2.51	-49.69
CC1=CC2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CN=C2C=C1	REAL300019849630	1	39	-1.0	-52.17	315.42	2.51	-49.66
CN1C=C(C2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=NO2)N=N1	REAL300019849631	0	36	-1.0	-58.42	309.70	-0.16	-58.58
CN1C=C(C2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=NO2)N=N1	REAL300019849631	1	36	-1.0	-58.41	309.77	-0.14	-58.55
O=C(C1CCC2(CC(=O)C2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019849632	0	43	-1.0	-55.91	326.01	2.70	-53.21
O=C(C1CCC2(CC(=O)C2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019849632	1	43	-1.0	-55.91	326.07	2.71	-53.20
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849633	0	38	-1.0	-64.84	308.86	1.33	-63.51
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849633	1	38	-1.0	-64.83	308.94	1.34	-63.49
CCC(CCC1=CC=CC=C1)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849634	0	46	-1.0	-54.30	356.90	5.42	-48.88
CCC(CCC1=CC=CC=C1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849634	1	46	-1.0	-54.31	356.95	5.43	-48.88
COC1(C(F)(F)C(=O)N2CCOCC2C2=N[N-]N=N2)CCCC1	REAL300019849635	0	41	-1.0	-48.04	311.48	1.76	-46.28
COC1(C(F)(F)C(=O)N2CCOCC2C2=NN=N[N-]2)CCCC1	REAL300019849635	1	41	-1.0	-48.04	311.54	1.77	-46.27
O=C(CCC1=CC=C2CCOCC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849636	0	45	-1.0	-52.18	355.27	3.55	-48.63
O=C(CCC1=CC=C2CCOCC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849636	1	45	-1.0	-52.19	355.33	3.56	-48.63
O=C(C1CC12CCC(F)(F)CC2)N1CCOCC1C1=N[N-]N=N1	REAL300019849637	0	41	-1.0	-54.07	318.68	3.37	-50.70
O=C(C1CC12CCC(F)(F)CC2)N1CCOCC1C1=NN=N[N-]1	REAL300019849637	1	41	-1.0	-54.10	318.76	3.39	-50.71
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N=C1Br	REAL300019849638	0	33	-1.0	-50.07	290.00	1.70	-48.37
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N=C1Br	REAL300019849638	1	33	-1.0	-50.08	289.94	1.69	-48.39
CN(C)C1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019849639	0	41	-1.0	-51.42	332.43	2.88	-48.54
CN(C)C1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019849639	1	41	-1.0	-51.43	332.50	2.90	-48.53
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019849640	0	35	-1.0	-49.17	306.16	1.48	-47.69
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019849640	1	35	-1.0	-49.17	306.10	1.46	-47.71
COC(=O)C1=CSC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849641	0	34	-1.0	-60.10	300.83	1.23	-58.87
COC(=O)C1=CSC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849641	1	34	-1.0	-60.09	300.90	1.23	-58.86
CC(C)(C)C1=CN=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849642	0	42	-1.0	-52.01	324.38	2.00	-50.01
CC(C)(C)C1=CN=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849642	1	42	-1.0	-51.99	324.31	1.99	-50.00
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCOCC1C1=N[N-]N=N1	REAL300019849643	0	39	-1.0	-51.71	339.83	3.73	-47.98
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCOCC1C1=NN=N[N-]1	REAL300019849643	1	39	-1.0	-51.76	339.89	3.74	-48.02
COC1CC(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1(C)C	REAL300019849644	0	44	-1.0	-57.45	336.08	1.89	-55.56
COC1CC(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1(C)C	REAL300019849644	1	44	-1.0	-57.50	336.14	1.91	-55.59
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=NN21	REAL300019849645	0	45	-1.0	-64.39	349.50	2.97	-61.42
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=NN21	REAL300019849645	1	45	-1.0	-64.34	349.43	2.98	-61.36
O=C(C1CCC2(CC2(F)F)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849646	0	38	-1.0	-52.94	303.93	2.88	-50.06
O=C(C1CCC2(CC2(F)F)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849646	1	38	-1.0	-52.95	303.99	2.89	-50.06
O=C(C1CCCC2C1C2(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019849647	0	38	-1.0	-49.61	294.77	2.54	-47.07
O=C(C1CCCC2C1C2(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019849647	1	38	-1.0	-49.64	294.83	2.55	-47.09
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849648	0	42	-1.0	-61.18	331.02	3.24	-57.94
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849648	1	42	-1.0	-61.18	331.08	3.26	-57.92
O=C(CCC1=CC=CC(Br)=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019849649	0	37	-1.0	-53.59	327.72	4.11	-49.48
O=C(CCC1=CC=CC(Br)=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019849649	1	37	-1.0	-53.57	327.78	4.11	-49.46
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300019849650	0	37	-1.0	-57.81	317.10	0.97	-56.84
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300019849650	1	37	-1.0	-57.81	317.17	0.98	-56.83
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849651	0	42	-1.0	-66.64	319.30	0.93	-65.71
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849651	1	42	-1.0	-66.66	319.35	0.93	-65.73
CCC1=CC=C(C(=O)C(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL300019849652	0	36	-1.0	-45.17	307.93	2.23	-42.94
CCC1=CC=C(C(=O)C(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL300019849652	1	36	-1.0	-45.20	308.00	2.24	-42.96
COC1=CC(Br)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1F	REAL300019849653	0	35	-1.0	-48.70	305.59	1.57	-47.13
COC1=CC(Br)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1F	REAL300019849653	1	35	-1.0	-48.65	305.66	1.60	-47.05
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849654	0	49	-1.0	-52.46	380.39	1.23	-51.23
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849654	1	49	-1.0	-52.43	380.46	1.25	-51.18
O=C(C1=CC(C2CCCC2)=NN1)N1CCOCC1C1=N[N-]N=N1	REAL300019849655	0	41	-1.0	-49.87	318.34	1.57	-48.30
O=C(C1=CC(C2CCCC2)=NN1)N1CCOCC1C1=NN=N[N-]1	REAL300019849655	1	41	-1.0	-49.90	318.41	1.59	-48.31
CC1(C)OC2=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300019849656	0	43	-1.0	-56.42	343.13	0.13	-56.29
CC1(C)OC2=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300019849656	1	43	-1.0	-56.37	343.19	0.14	-56.23
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCOCC1C1=N[N-]N=N1	REAL300019849657	0	39	-1.0	-54.30	311.76	0.78	-53.52
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCOCC1C1=NN=N[N-]1	REAL300019849657	1	39	-1.0	-54.25	311.83	0.79	-53.46
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C21	REAL300019849658	0	39	-1.0	-57.18	323.28	0.48	-56.70
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C21	REAL300019849658	1	39	-1.0	-57.18	323.34	0.50	-56.68
COC(=O)C1=CC=CC2=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=CC=C12	REAL300019849659	0	43	-1.0	-53.19	349.45	4.33	-48.86
COC(=O)C1=CC=CC2=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=CC=C12	REAL300019849659	1	43	-1.0	-53.18	349.37	4.33	-48.85
O=C(C1=CN=CC2=C1CCNC2=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849660	0	38	-1.0	-47.62	307.65	-1.87	-49.49
O=C(C1=CN=CC2=C1CCNC2=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849660	1	38	-1.0	-47.61	307.72	-1.86	-49.47
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=NC=C1C(F)F	REAL300019849661	0	36	-1.0	-54.10	300.24	2.04	-52.06
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=NC=C1C(F)F	REAL300019849661	1	36	-1.0	-54.10	300.31	2.05	-52.05
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCOCC1C1=N[N-]N=N1	REAL300019849662	0	39	-1.0	-64.49	322.32	-0.13	-64.62
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCOCC1C1=NN=N[N-]1	REAL300019849662	1	39	-1.0	-64.53	322.39	-0.12	-64.65
CN(C)C(=O)C1=CN=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849663	0	40	-1.0	-61.79	321.52	-0.49	-62.28
CN(C)C(=O)C1=CN=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849663	1	40	-1.0	-61.80	321.45	-0.49	-62.29
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849664	0	35	-1.0	-51.32	306.94	1.70	-49.62
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849664	1	35	-1.0	-51.34	306.87	1.66	-49.68
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849665	0	51	-1.0	-52.30	395.62	-0.58	-52.88
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849665	1	51	-1.0	-52.26	395.69	-0.58	-52.84
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849666	0	54	-1.0	-65.44	403.79	3.20	-62.24
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849666	1	54	-1.0	-65.45	403.85	3.23	-62.22
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849667	0	51	-1.0	-52.28	380.36	1.55	-50.73
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849667	1	51	-1.0	-52.28	380.41	1.55	-50.73
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019849668	0	52	-1.0	-53.71	403.09	2.14	-51.57
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019849668	1	52	-1.0	-53.72	403.16	2.16	-51.56
COC1=CC=CC=C1OC(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849669	0	42	-1.0	-63.95	332.88	2.73	-61.22
COC1=CC=CC=C1OC(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849669	1	42	-1.0	-63.92	332.95	2.74	-61.18
CC1=C(Cl)C=NN1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849670	0	34	-1.0	-56.14	297.18	0.96	-55.18
CC1=C(Cl)C=NN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849670	1	34	-1.0	-56.12	297.25	0.98	-55.14
CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300019849671	0	45	-1.0	-65.83	355.43	0.06	-65.77
CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300019849671	1	45	-1.0	-65.77	355.49	0.08	-65.69
CCC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL300019849672	0	40	-1.0	-52.45	341.91	3.53	-48.92
CCC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300019849672	1	40	-1.0	-52.46	341.98	3.55	-48.91
O=C(C1CCC(C2CCCO2)O1)N1CCOCC1C1=N[N-]N=N1	REAL300019849673	0	43	-1.0	-58.03	328.24	1.43	-56.60
O=C(C1CCC(C2CCCO2)O1)N1CCOCC1C1=NN=N[N-]1	REAL300019849673	1	43	-1.0	-58.05	328.30	1.44	-56.61
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019849674	0	34	-1.0	-54.59	304.95	2.98	-51.61
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019849674	1	34	-1.0	-54.61	305.01	3.00	-51.61
CC1=CC(F)=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019849675	0	36	-1.0	-52.17	302.64	2.81	-49.36
CC1=CC(F)=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019849675	1	36	-1.0	-52.20	302.71	2.81	-49.39
CN1N=NC2=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=CC=C21	REAL300019849676	0	36	-1.0	-75.28	296.16	0.19	-75.09
CN1N=NC2=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=CC=C21	REAL300019849676	1	36	-1.0	-75.28	296.09	0.16	-75.12
O=C(C1=CN=C2OCCCC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849677	0	38	-1.0	-51.92	301.60	-0.99	-52.91
O=C(C1=CN=C2OCCCC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849677	1	38	-1.0	-51.91	301.53	-1.00	-52.91
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCOCC1C1=N[N-]N=N1	REAL300019849678	0	36	-1.0	-46.07	306.05	0.99	-45.08
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCOCC1C1=NN=N[N-]1	REAL300019849678	1	36	-1.0	-46.08	306.11	1.01	-45.07
O=C(N1CCOCC1C1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL300019849679	0	40	-1.0	-45.64	330.80	4.22	-41.42
O=C(N1CCOCC1C1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300019849679	1	40	-1.0	-45.69	330.87	4.23	-41.46
CC1=CC2=C(C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)S2)S1	REAL300019849680	0	34	-1.0	-53.14	303.98	2.86	-50.28
CC1=CC2=C(C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)S2)S1	REAL300019849680	1	34	-1.0	-53.16	304.05	2.87	-50.29
O=C(C1CC=CC2=CC=CC=C21)N1CCOCC1C1=N[N-]N=N1	REAL300019849681	0	39	-1.0	-53.69	310.30	4.02	-49.67
O=C(C1CC=CC2=CC=CC=C21)N1CCOCC1C1=NN=N[N-]1	REAL300019849681	1	39	-1.0	-53.68	310.37	4.01	-49.67
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849682	0	42	-1.0	-53.66	351.21	-1.82	-55.48
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849682	1	42	-1.0	-53.70	351.28	-1.81	-55.51
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCOCC1C1=N[N-]N=N1	REAL300019849683	0	37	-1.0	-49.33	330.69	3.99	-45.34
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCOCC1C1=NN=N[N-]1	REAL300019849683	1	37	-1.0	-49.32	330.76	4.00	-45.32
O=C(C1=CN2C=NN=C2C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849684	0	32	-1.0	-48.92	272.90	1.79	-47.13
O=C(C1=CN2C=NN=C2C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849684	1	32	-1.0	-48.89	272.81	1.79	-47.10
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019849685	0	44	-1.0	-52.08	365.39	5.69	-46.39
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019849685	1	44	-1.0	-52.14	365.43	5.70	-46.44
CON(CCC(=O)N1CCOCC1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019849686	0	48	-1.0	-53.06	378.68	2.05	-51.01
CON(CCC(=O)N1CCOCC1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019849686	1	48	-1.0	-53.05	378.75	2.08	-50.97
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849687	0	33	-1.0	-49.85	293.90	-0.59	-50.44
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849687	1	33	-1.0	-49.86	293.97	-0.58	-50.44
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849688	0	44	-1.0	-50.16	352.60	0.37	-49.79
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849688	1	44	-1.0	-50.16	352.67	0.39	-49.77
O=C(C1=CC=CC2=NC=CC=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019849689	0	36	-1.0	-54.99	294.16	1.97	-53.02
O=C(C1=CC=CC2=NC=CC=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019849689	1	36	-1.0	-54.92	294.10	1.95	-52.97
COC(=O)C1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C(F)C=N1	REAL300019849690	0	36	-1.0	-51.46	308.77	0.55	-50.91
COC(=O)C1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C(F)C=N1	REAL300019849690	1	36	-1.0	-51.43	308.70	0.52	-50.91
CC1=CC2=C(OCC2)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019849691	0	39	-1.0	-62.53	309.69	2.28	-60.25
CC1=CC2=C(OCC2)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019849691	1	39	-1.0	-62.54	309.75	2.29	-60.25
O=C(C1=C2SC=CC2=CN=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849692	0	33	-1.0	-55.06	283.38	1.13	-53.93
O=C(C1=C2SC=CC2=CN=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849692	1	33	-1.0	-55.06	283.31	1.10	-53.96
COC1CC2(C1)CC(C(=O)N1CCOCC1C1=N[N-]N=N1)C2	REAL300019849693	0	42	-1.0	-53.14	328.67	1.74	-51.40
COC1CC2(C1)CC(C(=O)N1CCOCC1C1=NN=N[N-]1)C2	REAL300019849693	1	42	-1.0	-53.15	328.73	1.74	-51.41
CC(C)OCC1=CC=CC=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849694	0	47	-1.0	-54.12	371.46	4.12	-50.00
CC(C)OCC1=CC=CC=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849694	1	47	-1.0	-54.06	371.52	4.13	-49.93
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019849695	0	38	-1.0	-53.44	335.50	4.86	-48.58
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019849695	1	38	-1.0	-53.47	335.56	4.88	-48.59
O=C(CC1CCCNC(=O)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849696	0	41	-1.0	-70.93	312.45	-0.49	-71.42
O=C(CC1CCCNC(=O)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849696	1	41	-1.0	-70.92	312.53	-0.49	-71.41
O=C(CN1C=C(I)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019849697	0	31	-1.0	-57.99	288.21	1.14	-56.85
O=C(CN1C=C(I)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019849697	1	31	-1.0	-58.01	288.14	1.12	-56.89
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCOCC1C1=NN=N[N-]1	REAL300019849698	0	34	-1.0	-50.71	299.17	2.47	-48.24
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCOCC1C1=N[N-]N=N1	REAL300019849698	1	34	-1.0	-50.76	299.10	2.46	-48.30
CN1C=NC2=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=CC=C21	REAL300019849699	0	37	-1.0	-69.86	300.52	3.00	-66.86
CN1C=NC2=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=CC=C21	REAL300019849699	1	37	-1.0	-69.85	300.45	2.99	-66.86
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCOCC1C1=N[N-]N=N1	REAL300019849700	0	37	-1.0	-55.84	310.10	0.33	-55.51
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCOCC1C1=NN=N[N-]1	REAL300019849700	1	37	-1.0	-55.87	310.17	0.34	-55.53
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849701	0	41	-1.0	-60.00	339.32	-2.06	-62.06
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849701	1	41	-1.0	-59.97	339.24	-2.07	-62.04
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849702	0	31	-1.0	-42.74	295.16	-2.25	-44.99
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849702	1	31	-1.0	-42.77	295.10	-2.27	-45.04
COC1=C(Cl)C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C2=NC=CC=C21	REAL300019849703	0	40	-1.0	-58.38	340.65	2.35	-56.03
COC1=C(Cl)C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C2=NC=CC=C21	REAL300019849703	1	40	-1.0	-58.38	340.59	2.35	-56.03
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849704	0	46	-1.0	-56.01	371.41	2.13	-53.88
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849704	1	46	-1.0	-56.00	371.35	2.13	-53.87
O=C(C1=CC=CN2N=NC=C12)N1CCOCC1C1=NN=N[N-]1	REAL300019849705	0	33	-1.0	-57.92	282.44	0.35	-57.57
O=C(C1=CC=CN2N=NC=C12)N1CCOCC1C1=N[N-]N=N1	REAL300019849705	1	33	-1.0	-57.95	282.37	0.33	-57.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Br)=CC2=CC=CN=C21	REAL300019856202	0	40	-1.0	-51.38	347.50	6.40	-44.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Br)=CC2=CC=CN=C21	REAL300019856202	1	40	-1.0	-51.38	347.38	6.38	-45.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019856203	0	53	-1.0	-47.85	418.04	9.78	-38.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019856203	1	53	-1.0	-47.84	418.10	9.79	-38.05
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856204	0	44	-1.0	-45.35	365.66	7.66	-37.69
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856204	1	44	-1.0	-45.38	365.71	7.65	-37.73
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=NN1CC(C)C	REAL300019856205	0	50	-1.0	-43.11	384.24	6.74	-36.37
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=NN1CC(C)C	REAL300019856205	1	50	-1.0	-43.09	384.29	6.74	-36.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(=O)NC1CCCC1	REAL300019856206	0	48	-1.0	-43.70	375.68	4.65	-39.05
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(=O)NC(C)C)C=C1	REAL300019856209	0	48	-1.0	-38.32	379.95	5.26	-33.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(=O)NC(C)C)C=C1	REAL300019856209	1	48	-1.0	-38.37	380.02	5.26	-33.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C2=NNC=N2)=C1	REAL300019856210	0	41	-1.0	-43.71	330.02	5.91	-37.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C2=NNC=N2)=C1	REAL300019856210	1	41	-1.0	-43.74	330.06	5.90	-37.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)C1	REAL300019856211	0	58	-1.0	-51.00	440.71	7.11	-43.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)C1	REAL300019856211	1	58	-1.0	-51.03	440.77	7.12	-43.91
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1	REAL300019856213	0	41	-1.0	-48.03	361.42	6.39	-41.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1	REAL300019856213	1	41	-1.0	-47.98	361.36	6.37	-41.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C2=COC=C2)=C1	REAL300019856214	0	42	-1.0	-40.19	339.30	6.80	-33.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C2=COC=C2)=C1	REAL300019856214	1	42	-1.0	-40.17	339.34	6.80	-33.37
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C(OC(C)(C)C)C1=CC=CC=C1	REAL300019856216	0	51	-1.0	-49.90	386.32	7.86	-42.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(OC(C)(C)C)C1=CC=CC=C1	REAL300019856216	1	51	-1.0	-49.89	386.38	7.87	-42.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(N2C=CC=C2)SC2=C1CCC2	REAL300019856217	0	47	-1.0	-49.30	378.64	9.36	-39.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(N2C=CC=C2)SC2=C1CCC2	REAL300019856217	1	47	-1.0	-49.31	378.70	9.37	-39.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C2CCOC2)=C1	REAL300019856218	0	46	-1.0	-38.88	354.72	5.84	-33.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C2CCOC2)=C1	REAL300019856218	1	46	-1.0	-38.84	354.77	5.84	-33.00
COC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1F	REAL300019856219	0	39	-1.0	-56.98	312.24	4.34	-52.64
COC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1F	REAL300019856219	1	39	-1.0	-56.98	312.29	4.35	-52.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=NC(C2=CC=CC=C2)=N1	REAL300019856220	0	44	-1.0	-57.34	365.14	7.94	-49.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=NC(C2=CC=CC=C2)=N1	REAL300019856220	1	44	-1.0	-57.35	365.09	7.92	-49.43
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856221	0	51	-1.0	-49.66	410.27	8.02	-41.64
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856221	1	51	-1.0	-49.64	410.33	8.04	-41.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)SC1=NC2=CC=CC=C2S1	REAL300019856222	0	44	-1.0	-44.71	377.08	7.24	-37.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)SC1=NC2=CC=CC=C2S1	REAL300019856222	1	44	-1.0	-44.67	377.03	7.23	-37.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	REAL300019856223	0	58	-1.0	-56.24	436.03	7.15	-49.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	REAL300019856223	1	58	-1.0	-56.17	436.08	7.16	-49.01
CC1=CC(F)=CC=C1N1C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=N1	REAL300019856224	0	44	-1.0	-43.14	360.58	6.99	-36.15
CC1=CC(F)=CC=C1N1C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=N1	REAL300019856224	1	44	-1.0	-43.15	360.53	6.98	-36.17
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C2=CC=CC=C2O1	REAL300019856225	0	44	-1.0	-43.69	357.34	7.56	-36.13
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C2=CC=CC=C2O1	REAL300019856225	1	44	-1.0	-43.70	357.37	7.56	-36.14
COC1=CC=CC(C2=NC(C)=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)N2)=C1	REAL300019856226	0	49	-1.0	-47.37	396.81	6.02	-41.35
COC1=CC=CC(C2=NC(C)=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)N2)=C1	REAL300019856226	1	49	-1.0	-47.35	396.86	6.03	-41.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC2=NC=NC2=C1	REAL300019856227	0	37	-1.0	-42.60	310.95	4.31	-38.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC2=NC=NC2=C1	REAL300019856227	1	37	-1.0	-42.66	311.01	4.32	-38.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1	REAL300019856228	0	48	-1.0	-53.96	404.14	1.40	-52.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1	REAL300019856228	1	48	-1.0	-53.96	404.19	1.42	-52.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(S(N)(=O)=O)N=C1	REAL300019856229	0	39	-1.0	-43.45	329.74	-1.81	-45.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(S(N)(=O)=O)N=C1	REAL300019856229	1	39	-1.0	-43.45	329.67	-1.82	-45.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1	REAL300019856230	0	52	-1.0	-38.36	402.43	8.31	-30.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(=O)N(C)C2=CC=CC=C2)C=C1	REAL300019856230	1	52	-1.0	-38.31	402.49	8.31	-30.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CNC2=CC=CC(Br)=C12	REAL300019856231	0	42	-1.0	-46.71	360.10	6.96	-39.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CNC2=CC=CC(Br)=C12	REAL300019856231	1	42	-1.0	-46.69	360.13	6.96	-39.73
COC1=CC=C(C(F)(F)C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019856232	0	42	-1.0	-42.19	344.21	5.53	-36.66
COC1=CC=C(C(F)(F)C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019856232	1	42	-1.0	-42.22	344.27	5.55	-36.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1	REAL300019856233	0	44	-1.0	-45.99	374.89	6.28	-39.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1	REAL300019856233	1	44	-1.0	-46.01	374.95	6.30	-39.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(=O)NC2CC2)C=C1	REAL300019856234	0	46	-1.0	-51.42	365.93	4.96	-46.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(=O)NC2CC2)C=C1	REAL300019856234	1	46	-1.0	-51.45	365.98	4.98	-46.47
COC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC(OC)=C1O	REAL300019856235	0	44	-1.0	-44.18	355.86	2.28	-41.90
COC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC(OC)=C1O	REAL300019856235	1	44	-1.0	-44.18	355.91	2.29	-41.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C(=O)NN=C2C=C1	REAL300019856236	0	38	-1.0	-35.76	306.72	3.33	-32.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C(=O)NN=C2C=C1	REAL300019856236	1	38	-1.0	-35.76	306.78	3.34	-32.42
CC(=O)CCCCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856237	0	48	-1.0	-47.34	381.24	7.13	-40.21
CC(=O)CCCCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856237	1	48	-1.0	-47.41	381.29	7.14	-40.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1	REAL300019856238	0	50	-1.0	-51.80	386.19	5.05	-46.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCN(C2=CN=CC3=NN=NN32)CC1	REAL300019856238	1	50	-1.0	-51.79	386.13	5.04	-46.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)C=C(C#N)C=C1Cl	REAL300019856239	0	36	-1.0	-43.75	336.95	6.49	-37.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)C=C(C#N)C=C1Cl	REAL300019856239	1	36	-1.0	-43.76	337.01	6.50	-37.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC(CC1Br)C2	REAL300019856240	0	42	-1.0	-46.17	317.95	5.84	-40.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC(CC1Br)C2	REAL300019856240	1	42	-1.0	-46.16	318.01	5.85	-40.31
COC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=CC=C1	REAL300019856241	0	42	-1.0	-48.23	337.66	6.16	-42.07
COC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=CC=C1	REAL300019856241	1	42	-1.0	-48.23	337.72	6.17	-42.06
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1Br	REAL300019856242	0	38	-1.0	-43.81	320.23	6.20	-37.61
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1Br	REAL300019856242	1	38	-1.0	-43.77	320.29	6.22	-37.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300019856243	0	45	-1.0	-53.18	370.85	8.70	-44.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300019856243	1	45	-1.0	-53.13	370.91	8.71	-44.42
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CCS(=O)(=O)C1=CC=C(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019856244	1	50	-1.0	-50.03	411.17	5.44	-44.59
CC(C)CC1=CC=C(C(C)C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019856245	0	53	-1.0	-45.81	403.56	9.31	-36.50
CC(C)CC1=CC=C(C(C)C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019856245	1	53	-1.0	-45.81	403.61	9.33	-36.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=C(Cl)C=C1F	REAL300019856246	0	35	-1.0	-41.04	317.42	6.05	-34.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=C(Cl)C=C1F	REAL300019856246	1	35	-1.0	-41.06	317.47	6.07	-34.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C([N+](=O)[O-])C=NN1C	REAL300019856247	0	37	-1.0	-47.69	308.97	3.77	-43.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C([N+](=O)[O-])C=NN1C	REAL300019856247	1	37	-1.0	-47.68	308.90	3.76	-43.92
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SC(N(C)C)=N1	REAL300019856248	0	42	-1.0	-47.68	338.06	4.57	-43.11
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SC(N(C)C)=N1	REAL300019856248	1	42	-1.0	-47.65	338.11	4.58	-43.07
CCOC(=O)C1=CN=C(C)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019856249	0	46	-1.0	-45.80	372.84	5.55	-40.25
CCOC(=O)C1=CN=C(C)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019856249	1	46	-1.0	-45.80	372.91	5.57	-40.23
CC1=C(C#N)C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=NO1	REAL300019856250	0	38	-1.0	-48.27	326.84	4.90	-43.37
CC1=C(C#N)C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=NO1	REAL300019856250	1	38	-1.0	-48.30	326.90	4.91	-43.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)N1CCC2=CC=CC=C21	REAL300019856251	0	47	-1.0	-48.15	358.69	5.92	-42.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)N1CCC2=CC=CC=C21	REAL300019856251	1	47	-1.0	-48.17	358.75	5.93	-42.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=C1OC(=O)N2C	REAL300019856252	0	41	-1.0	-55.07	340.63	5.22	-49.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=C1OC(=O)N2C	REAL300019856252	1	41	-1.0	-55.08	340.69	5.24	-49.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2=NNC=C2C1	REAL300019856253	0	42	-1.0	-46.48	326.52	4.09	-42.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2=NNC=C2C1	REAL300019856253	1	42	-1.0	-46.50	326.58	4.10	-42.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C(C2CCCO2)S1	REAL300019856254	0	42	-1.0	-47.58	343.57	3.22	-44.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C(C2CCCO2)S1	REAL300019856254	1	42	-1.0	-47.61	343.63	3.23	-44.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=CC2=CC=CN=C21	REAL300019856255	0	40	-1.0	-45.63	321.43	5.61	-40.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=CC2=CC=CN=C21	REAL300019856255	1	40	-1.0	-45.62	321.38	5.62	-40.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CN=CC(F)=C1	REAL300019856256	0	40	-1.0	-43.01	330.27	5.31	-37.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CN=CC(F)=C1	REAL300019856256	1	40	-1.0	-43.00	330.21	5.29	-37.71
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C2)C=C1	REAL300019856257	0	51	-1.0	-42.47	410.72	8.62	-33.85
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C2)C=C1	REAL300019856257	1	51	-1.0	-42.45	410.78	8.61	-33.84
CC1=NC2=CC=NN2C(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856258	0	43	-1.0	-42.68	334.60	5.14	-37.54
CC1=NC2=CC=NN2C(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856258	1	43	-1.0	-42.73	334.66	5.15	-37.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(OCC(F)F)=N1	REAL300019856259	0	41	-1.0	-52.02	341.00	2.97	-49.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(OCC(F)F)=N1	REAL300019856259	1	41	-1.0	-52.01	340.94	2.95	-49.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(N2CCOCC2)=C1	REAL300019856260	0	47	-1.0	-45.95	359.81	2.02	-43.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(N2CCOCC2)=C1	REAL300019856260	1	47	-1.0	-45.96	359.75	2.01	-43.95
CC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1Br	REAL300019856261	0	38	-1.0	-45.07	325.69	6.59	-38.48
CC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1Br	REAL300019856261	1	38	-1.0	-45.05	325.75	6.60	-38.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2CCCCC2C1	REAL300019856262	0	51	-1.0	-36.34	358.51	7.89	-28.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2CCCCC2C1	REAL300019856262	1	51	-1.0	-36.33	358.56	7.89	-28.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C(F)=C1	REAL300019856263	0	35	-1.0	-44.30	301.36	5.57	-38.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C(F)=C1	REAL300019856263	1	35	-1.0	-44.28	301.42	5.59	-38.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(CC(F)F)NC(=O)OC(C)(C)C	REAL300019856264	0	51	-1.0	-42.86	388.91	3.63	-39.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(CC(F)F)NC(=O)OC(C)(C)C	REAL300019856264	1	51	-1.0	-42.89	388.97	3.65	-39.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC1=CC(F)=CC=C1F	REAL300019856265	0	44	-1.0	-46.85	365.31	7.99	-38.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC1=CC(F)=CC=C1F	REAL300019856265	1	44	-1.0	-46.85	365.37	8.01	-38.84
COC1=CC=C(CC(C)C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019856266	0	48	-1.0	-44.40	373.49	6.66	-37.74
COC1=CC=C(CC(C)C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019856266	1	48	-1.0	-44.38	373.55	6.68	-37.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1	REAL300019856267	0	49	-1.0	-39.23	393.28	7.32	-31.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1	REAL300019856267	1	49	-1.0	-39.20	393.35	7.34	-31.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCSC(C)(C)C	REAL300019856268	0	47	-1.0	-46.71	370.11	7.21	-39.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCSC(C)(C)C	REAL300019856268	1	47	-1.0	-46.75	370.16	7.22	-39.53
CC(C)CC1=CC=C(CCCC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019856269	0	56	-1.0	-45.52	434.65	10.58	-34.94
CC(C)CC1=CC=C(CCCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019856269	1	56	-1.0	-45.51	434.70	10.60	-34.91
CC1=NOC(C)=C1C(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856270	0	46	-1.0	-42.96	357.10	6.15	-36.81
CC1=NOC(C)=C1C(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856270	1	46	-1.0	-42.97	357.15	6.17	-36.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(C)(C)C1=CC=CC=C1	REAL300019856271	0	50	-1.0	-45.97	379.48	8.47	-37.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(C)(C)C1=CC=CC=C1	REAL300019856271	1	50	-1.0	-46.00	379.54	8.49	-37.51
COC1=CC=C(CCCC(=O)N(CC2=N[N-]N=N2)CC(C)C)C(OC)=C1	REAL300019856272	0	52	-1.0	-47.94	411.25	6.55	-41.39
COC1=CC=C(CCCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C(OC)=C1	REAL300019856272	1	52	-1.0	-47.94	411.30	6.57	-41.37
CCS(=O)(=O)C1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019856273	0	44	-1.0	-57.02	361.10	3.37	-53.65
CCS(=O)(=O)C1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019856273	1	44	-1.0	-57.07	361.16	3.38	-53.69
CC1=CC=C(S(N)(=O)=O)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019856274	0	43	-1.0	-39.05	342.81	1.89	-37.16
CC1=CC=C(S(N)(=O)=O)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019856274	1	43	-1.0	-39.03	342.87	1.89	-37.14
CC1=NNC(C)=C1C(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856275	0	47	-1.0	-44.28	359.29	4.90	-39.38
CC1=NNC(C)=C1C(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856275	1	47	-1.0	-44.28	359.24	4.89	-39.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC(N2CCCC2)=N1	REAL300019856276	0	45	-1.0	-52.85	347.47	4.80	-48.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC(N2CCCC2)=N1	REAL300019856276	1	45	-1.0	-52.84	347.41	4.78	-48.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCN(CC(F)(F)F)C1	REAL300019856277	0	46	-1.0	-37.89	353.19	3.96	-33.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCN(CC(F)(F)F)C1	REAL300019856277	1	46	-1.0	-37.91	353.26	3.97	-33.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(N2C=CN=N2)=C1	REAL300019856278	0	41	-1.0	-44.92	332.81	5.12	-39.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(N2C=CN=N2)=C1	REAL300019856278	1	41	-1.0	-44.94	332.77	5.12	-39.82
COC1=CC=C2C(=C1)OCC2CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856279	0	47	-1.0	-46.47	371.54	5.32	-41.15
COC1=CC=C2C(=C1)OCC2CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856279	1	47	-1.0	-46.46	371.59	5.34	-41.12
CCC(C)N1N=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1C1CC1	REAL300019856280	0	51	-1.0	-45.24	384.64	6.77	-38.47
CCC(C)N1N=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1C1CC1	REAL300019856280	1	51	-1.0	-45.26	384.64	6.78	-38.48
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856281	0	48	-1.0	-44.13	399.34	6.74	-37.39
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856281	1	48	-1.0	-44.11	399.38	6.74	-37.37
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=NN1C1CCCC1	REAL300019856282	0	48	-1.0	-43.41	367.55	6.53	-36.88
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=NN1C1CCCC1	REAL300019856282	1	48	-1.0	-43.39	367.61	6.55	-36.84
CCC1=CSC(N2C=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=N2)=N1	REAL300019856283	0	44	-1.0	-50.22	367.99	5.71	-44.51
CCC1=CSC(N2C=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=N2)=N1	REAL300019856283	1	44	-1.0	-50.23	367.94	5.69	-44.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12	REAL300019856284	0	41	-1.0	-61.05	344.15	6.84	-54.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12	REAL300019856284	1	41	-1.0	-61.04	344.09	6.83	-54.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCC1(C)NC(=O)OC(C)(C)C	REAL300019856285	0	61	-1.0	-46.93	431.46	6.11	-40.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCC1(C)NC(=O)OC(C)(C)C	REAL300019856285	1	61	-1.0	-46.95	431.52	6.13	-40.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C1=CC=CC=C1)C1CC1	REAL300019856286	0	45	-1.0	-46.98	342.28	7.78	-39.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C1=CC=CC=C1)C1CC1	REAL300019856286	1	45	-1.0	-46.99	342.34	7.79	-39.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=C(F)C=CC=C1F	REAL300019856287	0	41	-1.0	-42.01	329.67	6.84	-35.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=C(F)C=CC=C1F	REAL300019856287	1	41	-1.0	-41.96	329.74	6.85	-35.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C1=CC=C(F)C=C1)C(C)C	REAL300019856288	0	47	-1.0	-46.20	368.58	7.84	-38.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C1=CC=C(F)C=C1)C(C)C	REAL300019856288	1	47	-1.0	-46.21	368.64	7.86	-38.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CC(OCC#N)=C1	REAL300019856289	0	43	-1.0	-48.68	359.17	6.29	-42.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CC(OCC#N)=C1	REAL300019856289	1	43	-1.0	-48.67	359.22	6.31	-42.36
CC1=CC=C(C2=NC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CS2)N1C	REAL300019856290	0	45	-1.0	-46.94	372.48	7.27	-39.67
CC1=CC=C(C2=NC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CS2)N1C	REAL300019856290	1	45	-1.0	-46.95	372.43	7.27	-39.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(=C1)CCC(=O)N2C	REAL300019856291	0	46	-1.0	-47.74	357.36	5.93	-41.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(=C1)CCC(=O)N2C	REAL300019856291	1	46	-1.0	-47.70	357.42	5.94	-41.76
CC1=C(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=NN1C	REAL300019856292	0	44	-1.0	-47.59	352.53	5.32	-42.27
CC1=C(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=NN1C	REAL300019856292	1	44	-1.0	-47.55	352.59	5.33	-42.22
COC1CCC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL300019856293	0	48	-1.0	-43.99	357.58	5.64	-38.35
COC1CCC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL300019856293	1	48	-1.0	-43.99	357.64	5.65	-38.34
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=NN1CCOC1CCCCO1	REAL300019856294	0	56	-1.0	-47.08	441.27	5.94	-41.14
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=NN1CCOC1CCCCO1	REAL300019856294	1	56	-1.0	-47.09	441.32	5.95	-41.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC(F)=CC=C2N=C1	REAL300019856295	0	40	-1.0	-43.49	326.54	5.39	-38.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC(F)=CC=C2N=C1	REAL300019856295	1	40	-1.0	-43.45	326.48	5.37	-38.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC(OCC(F)F)=C1	REAL300019856296	0	41	-1.0	-38.92	342.54	3.27	-35.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC(OCC(F)F)=C1	REAL300019856296	1	41	-1.0	-38.93	342.49	3.25	-35.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC(Br)=CC=C1F	REAL300019856297	0	41	-1.0	-43.66	355.70	7.66	-36.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC(Br)=CC=C1F	REAL300019856297	1	41	-1.0	-43.65	355.75	7.67	-35.98
CCC(CC)N1N=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1C	REAL300019856298	0	50	-1.0	-45.12	386.12	7.79	-37.33
CCC(CC)N1N=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1C	REAL300019856298	1	50	-1.0	-45.12	386.19	7.80	-37.32
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NN1C1CCCCC1	REAL300019856299	0	51	-1.0	-46.41	388.37	8.13	-38.28
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NN1C1CCCCC1	REAL300019856299	1	51	-1.0	-46.45	388.42	8.16	-38.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CC1=CC=CC=C1Cl	REAL300019856300	0	44	-1.0	-47.45	354.97	7.97	-39.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CC1=CC=CC=C1Cl	REAL300019856300	1	44	-1.0	-47.48	355.02	7.99	-39.49
CC1=C(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=NN1C	REAL300019856301	0	42	-1.0	-48.37	339.30	4.94	-43.43
CC1=C(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=NN1C	REAL300019856301	1	42	-1.0	-48.36	339.36	4.95	-43.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300019856302	0	46	-1.0	-50.74	403.79	8.64	-42.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300019856302	1	46	-1.0	-50.73	403.84	8.65	-42.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN=C1OCC(F)F	REAL300019856303	0	41	-1.0	-53.12	347.31	3.45	-49.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN=C1OCC(F)F	REAL300019856303	1	41	-1.0	-53.13	347.21	3.43	-49.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(N2CCCC2=O)=CC=C1Cl	REAL300019856304	0	46	-1.0	-60.16	380.57	6.98	-53.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(N2CCCC2=O)=CC=C1Cl	REAL300019856304	1	46	-1.0	-60.18	380.62	6.99	-53.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)(F)C1=CC=CC=C1F	REAL300019856305	0	38	-1.0	-44.23	319.60	6.16	-38.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)(F)C1=CC=CC=C1F	REAL300019856305	1	38	-1.0	-44.22	319.66	6.17	-38.05
COCC1=NC(C)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL300019856306	0	41	-1.0	-46.36	335.27	2.39	-43.97
COCC1=NC(C)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL300019856306	1	41	-1.0	-46.32	335.32	2.40	-43.92
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)NC(C2=CC(C)=CC=C2)=N1	REAL300019856307	0	48	-1.0	-45.31	388.75	7.39	-37.92
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CC(C)CN(CC1=N[N-]N=N1)C(=O)CS(=O)(=O)C(C)(C)C	REAL300019856308	0	43	-1.0	-60.64	344.35	2.28	-58.36
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC(CNC(=O)OC(C)(C)C)=C1	REAL300019856356	0	54	-1.0	-37.58	423.44	3.87	-33.71
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CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	REAL300019856368	0	43	-2.0	-85.09	353.05	2.04	-83.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	REAL300019856368	1	43	-2.0	-85.09	353.06	2.06	-83.03
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300019856371	0	49	-1.0	-45.97	405.22	9.58	-36.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300019856371	1	49	-1.0	-45.96	405.28	9.60	-36.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C2COCC2=C1	REAL300019856372	0	43	-1.0	-47.11	343.55	5.50	-41.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C2COCC2=C1	REAL300019856372	1	43	-1.0	-47.09	343.61	5.52	-41.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)C1=CC=C(F)C=C1	REAL300019856373	0	37	-1.0	-40.77	318.11	5.44	-35.33
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019856378	0	43	-1.0	-34.21	353.88	7.56	-26.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019856378	1	43	-1.0	-34.16	353.92	7.57	-26.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2N=NN(C)C2=C1	REAL300019856379	0	40	-1.0	-45.24	323.91	3.60	-41.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2N=NN(C)C2=C1	REAL300019856379	1	40	-1.0	-45.27	323.85	3.58	-41.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300019856380	0	45	-1.0	-63.55	367.13	7.87	-55.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300019856380	1	45	-1.0	-63.57	367.07	7.86	-55.71
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1	REAL300019856381	1	46	-1.0	-39.15	380.64	8.17	-30.98
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CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCOC(C)(C)C1	REAL300019856383	0	48	-1.0	-44.04	354.69	5.27	-38.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCOC(C)(C)C1	REAL300019856383	1	48	-1.0	-44.06	354.75	5.29	-38.77
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)N1CCC(C)CC1	REAL300019856388	0	45	-1.0	-47.70	346.01	4.71	-42.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)N1CCC(C)CC1	REAL300019856388	1	45	-1.0	-47.66	346.07	4.71	-42.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)N1CCCC(C)C1	REAL300019856389	0	45	-1.0	-47.08	345.47	4.51	-42.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)N1CCCC(C)C1	REAL300019856389	1	45	-1.0	-47.14	345.54	4.51	-42.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C2CCOCC2)=N1	REAL300019856390	0	45	-1.0	-44.11	359.36	3.17	-40.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C2CCOCC2)=N1	REAL300019856390	1	45	-1.0	-44.14	359.42	3.18	-40.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-]	REAL300019856391	0	46	-2.0	-102.66	380.09	2.60	-100.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-]	REAL300019856391	1	46	-2.0	-102.66	380.15	2.60	-100.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1O	REAL300019856391	1	47	-1.0	-55.12	393.10	0.78	-54.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1O	REAL300019856391	1	47	-1.0	-55.13	393.16	0.79	-54.34
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(OC2CCCC2)N=C1	REAL300019856393	0	48	-1.0	-42.72	372.08	4.81	-37.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(OC2CCCC2)N=C1	REAL300019856393	1	48	-1.0	-42.73	372.02	4.80	-37.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CNC(=O)OC(C)(C)C)CC1	REAL300019856394	0	52	-1.0	-48.05	398.72	4.21	-43.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CNC(=O)OC(C)(C)C)CC1	REAL300019856394	1	52	-1.0	-48.07	398.78	4.23	-43.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C(N)=O)=N1	REAL300019856395	0	38	-1.0	-44.12	308.06	2.06	-42.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C(N)=O)=N1	REAL300019856395	1	38	-1.0	-44.13	308.01	2.05	-42.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1SC1=CC=CC=C1	REAL300019856396	0	46	-1.0	-39.30	379.42	9.18	-30.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1SC1=CC=CC=C1	REAL300019856396	1	46	-1.0	-39.31	379.48	9.17	-30.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CCCCN1C(=O)OC(C)(C)C	REAL300019856397	0	58	-1.0	-54.42	386.20	7.32	-47.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CCCCN1C(=O)OC(C)(C)C	REAL300019856397	1	58	-1.0	-54.38	386.26	7.33	-47.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2CCCC2)N=CS1	REAL300019856398	0	44	-1.0	-37.78	341.58	5.86	-31.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2CCCC2)N=CS1	REAL300019856398	1	44	-1.0	-37.82	341.64	5.86	-31.96
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COC1=CC=C(C(=O)CCCCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019856399	1	53	-1.0	-47.65	421.52	7.73	-39.92
CC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C2=CC=CC=C2)O1	REAL300019856400	0	44	-1.0	-47.37	360.99	5.95	-41.42
CC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C2=CC=CC=C2)O1	REAL300019856400	1	44	-1.0	-47.38	361.05	5.96	-41.42
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019856401	0	51	-1.0	-47.31	413.34	8.00	-39.31
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019856401	1	51	-1.0	-47.30	413.40	8.02	-39.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1	REAL300019856402	0	50	-1.0	-53.02	408.36	5.25	-47.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1	REAL300019856402	1	50	-1.0	-53.06	408.41	5.26	-47.80
CC1=CC(Cl)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1C	REAL300019856403	0	41	-1.0	-45.26	342.58	7.12	-38.14
CC1=CC(Cl)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1C	REAL300019856403	1	41	-1.0	-45.30	342.64	7.14	-38.16
CC1=CC=C(F)C=C1C(=O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856404	0	40	-1.0	-38.04	333.33	6.28	-31.76
CC1=CC=C(F)C=C1C(=O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856404	1	40	-1.0	-38.07	333.39	6.29	-31.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCOC(C(C)C)C1	REAL300019856405	0	51	-1.0	-43.67	377.20	6.22	-37.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCOC(C(C)C)C1	REAL300019856405	1	51	-1.0	-43.62	377.26	6.23	-37.39
CC1=C(C(=O)NCC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CO1	REAL300019856406	0	42	-1.0	-43.63	346.57	2.85	-40.78
CC1=C(C(=O)NCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CO1	REAL300019856406	1	42	-1.0	-43.71	346.63	2.87	-40.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)CSC1=NN=C2C=CC=CN21	REAL300019856407	0	41	-1.0	-49.88	352.70	7.28	-42.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSC1=NN=C2C=CC=CN21	REAL300019856407	1	41	-1.0	-49.88	352.64	7.26	-42.62
CC1=CC=C(C2=CC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)S2)O1	REAL300019856408	0	42	-1.0	-47.30	347.98	6.56	-40.74
CC1=CC=C(C2=CC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)S2)O1	REAL300019856408	1	42	-1.0	-47.29	348.03	6.58	-40.71
CCC1=NN=C(C)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019856409	0	42	-1.0	-42.35	333.63	4.41	-37.94
CCC1=NN=C(C)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019856409	1	42	-1.0	-42.34	333.69	4.43	-37.91
CCC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)N=N1	REAL300019856410	0	42	-1.0	-41.20	339.94	4.60	-36.60
CCC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)N=N1	REAL300019856410	1	42	-1.0	-41.18	340.01	4.61	-36.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300019858202	0	37	-1.0	-45.46	325.93	4.62	-40.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=NC(Cl)=CC=C2S1	REAL300019858202	1	37	-1.0	-45.47	325.87	4.60	-40.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C2=CC=NC=C12	REAL300019858203	0	40	-1.0	-42.26	329.47	5.61	-36.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C2=CC=NC=C12	REAL300019858203	1	40	-1.0	-42.20	329.41	5.59	-36.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300019858204	0	38	-1.0	-39.16	336.87	5.98	-33.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300019858204	1	38	-1.0	-39.22	336.80	5.98	-33.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CSC=C1Br	REAL300019858205	0	38	-1.0	-42.38	341.32	6.59	-35.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CSC=C1Br	REAL300019858205	1	38	-1.0	-42.41	341.38	6.61	-35.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(N1C=CC=N1)C(F)(F)F	REAL300019858206	0	41	-1.0	-44.52	337.52	5.00	-39.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(N1C=CC=N1)C(F)(F)F	REAL300019858206	1	41	-1.0	-44.51	337.46	4.99	-39.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(C#N)CCCCC1	REAL300019858207	0	45	-1.0	-48.85	343.20	6.28	-42.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(C#N)CCCCC1	REAL300019858207	1	45	-1.0	-48.83	343.26	6.29	-42.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300019858208	0	41	-1.0	-51.34	359.41	3.08	-48.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300019858208	1	41	-1.0	-51.34	359.47	3.08	-48.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)N=C2C=CSC2=C1	REAL300019858209	0	37	-1.0	-43.44	335.23	5.32	-38.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)N=C2C=CSC2=C1	REAL300019858209	1	37	-1.0	-43.46	335.17	5.31	-38.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1	REAL300019858210	0	49	-1.0	-46.42	387.01	6.86	-39.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1	REAL300019858210	1	49	-1.0	-46.46	387.07	6.88	-39.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=NN1C1=CC=CC=C1	REAL300019858211	0	41	-1.0	-44.81	320.61	4.74	-40.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=NN1C1=CC=CC=C1	REAL300019858211	1	41	-1.0	-44.83	320.55	4.74	-40.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC=C(C(C)C)C=C2)CCCCC1	REAL300019858212	0	60	-1.0	-35.23	391.77	9.66	-25.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC=C(C(C)C)C=C2)CCCCC1	REAL300019858212	1	60	-1.0	-35.44	391.96	9.53	-25.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)CC(F)(F)F	REAL300019858213	0	40	-1.0	-41.12	301.92	5.23	-35.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)CC(F)(F)F	REAL300019858213	1	40	-1.0	-41.09	301.98	5.22	-35.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COCC1C1=CC=CC=C1	REAL300019858214	0	46	-1.0	-46.69	362.63	6.05	-40.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COCC1C1=CC=CC=C1	REAL300019858214	1	46	-1.0	-46.65	362.69	6.07	-40.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2CC2)C=NN1C	REAL300019858215	0	42	-1.0	-35.76	332.06	4.41	-31.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2CC2)C=NN1C	REAL300019858215	1	42	-1.0	-35.76	332.00	4.40	-31.36
CC1=CC(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1OC(F)(F)F	REAL300019858216	0	46	-1.0	-43.76	383.34	7.20	-36.56
CC1=CC(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1OC(F)(F)F	REAL300019858216	1	46	-1.0	-43.78	383.39	7.21	-36.57
COC(=O)C1=CC=C2CCCC(CC(=O)N(CC3=N[N-]N=N3)CC(C)C)C2=C1	REAL300019858217	0	54	-1.0	-46.14	419.71	9.21	-36.93
COC(=O)C1=CC=C2CCCC(CC(=O)N(CC3=NN=N[N-]3)CC(C)C)C2=C1	REAL300019858217	1	54	-1.0	-46.18	419.76	9.23	-36.95
COC1=NOC(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858218	0	41	-1.0	-44.29	336.88	2.59	-41.70
COC1=NOC(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858218	1	41	-1.0	-44.33	336.94	2.60	-41.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CNC2=NC=N1	REAL300019858219	0	37	-1.0	-48.24	303.83	5.79	-42.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CNC2=NC=N1	REAL300019858219	1	37	-1.0	-48.23	303.77	5.78	-42.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)C=CC=C1Br	REAL300019858220	0	35	-1.0	-47.52	320.49	6.22	-41.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)C=CC=C1Br	REAL300019858220	1	35	-1.0	-47.52	320.55	6.24	-41.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(=O)OC(C)(C)C)CC=CC1	REAL300019858221	0	51	-1.0	-45.39	380.84	7.04	-38.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(=O)OC(C)(C)C)CC=CC1	REAL300019858221	1	51	-1.0	-45.38	380.90	7.06	-38.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C(=O)OC(C)(C)C)C(C)(C)C	REAL300019858222	0	55	-1.0	-48.37	404.50	8.16	-40.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C(=O)OC(C)(C)C)C(C)(C)C	REAL300019858222	1	55	-1.0	-48.38	404.55	8.17	-40.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C(=O)OC(C)(C)C)C1CC1	REAL300019858223	0	50	-1.0	-52.87	391.57	7.38	-45.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C(=O)OC(C)(C)C)C1CC1	REAL300019858223	1	50	-1.0	-52.87	391.62	7.40	-45.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(=O)OC(C)(C)C)CC2CCC1C2	REAL300019858224	0	57	-1.0	-39.44	407.23	8.48	-30.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(=O)OC(C)(C)C)CC2CCC1C2	REAL300019858224	1	57	-1.0	-39.42	407.29	8.48	-30.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C(=O)OC(C)(C)C)CC1	REAL300019858225	0	56	-1.0	-53.10	411.56	8.18	-44.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C(=O)OC(C)(C)C)CC1	REAL300019858225	1	56	-1.0	-53.13	411.62	8.20	-44.93
C=C(C)CC(NC(C)=O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858226	0	45	-1.0	-46.69	347.99	5.12	-41.57
C=C(C)CC(NC(C)=O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858226	1	45	-1.0	-46.66	348.04	5.13	-41.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC1(Br)Br	REAL300019858227	0	35	-1.0	-35.91	310.68	5.91	-30.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC1(Br)Br	REAL300019858227	1	35	-1.0	-35.95	310.72	5.90	-30.05
COC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC(F)(F)CC1	REAL300019858228	0	45	-1.0	-42.01	329.17	4.45	-37.56
COC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC(F)(F)CC1	REAL300019858228	1	45	-1.0	-42.01	329.24	4.47	-37.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2=CC=CC=C2)N(C)C=C1	REAL300019858229	0	46	-1.0	-51.44	365.45	8.15	-43.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2=CC=CC=C2)N(C)C=C1	REAL300019858229	1	46	-1.0	-51.45	365.40	8.15	-43.30
CCCCCC1=NNC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858230	0	47	-1.0	-37.51	368.84	6.41	-31.10
CCCCCC1=NNC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858230	1	47	-1.0	-37.56	368.89	6.41	-31.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H](NCC(F)(F)F)C(C)C	REAL300019858231	0	45	-1.0	-37.81	351.89	3.89	-33.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](NCC(F)(F)F)C(C)C	REAL300019858231	1	45	-1.0	-37.78	351.92	3.90	-33.88
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)N1C1CCOCC1	REAL300019858232	0	53	-1.0	-42.04	386.62	6.74	-35.30
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)N1C1CCOCC1	REAL300019858232	1	53	-1.0	-42.06	386.67	6.74	-35.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019858233	0	41	-1.0	-39.63	348.64	6.76	-32.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019858233	1	41	-1.0	-39.64	348.58	6.76	-32.88
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC(NCC(F)(F)F)=N1	REAL300019858234	0	45	-1.0	-44.61	370.98	4.75	-39.86
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC(NCC(F)(F)F)=N1	REAL300019858234	1	45	-1.0	-44.62	371.03	4.77	-39.85
CC1=CC([N+](=O)[O-])=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL300019858235	0	39	-1.0	-47.27	321.24	5.86	-41.41
CC1=CC([N+](=O)[O-])=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL300019858235	1	39	-1.0	-47.25	321.30	5.88	-41.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C)(C)CC(C)(C)C1	REAL300019858236	0	53	-1.0	-36.72	375.87	7.63	-29.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C)(C)CC(C)(C)C1	REAL300019858236	1	53	-1.0	-36.76	375.93	7.62	-29.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=C(C2CC2)C=N1	REAL300019858237	0	42	-1.0	-52.55	342.10	5.84	-46.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=C(C2CC2)C=N1	REAL300019858237	1	42	-1.0	-52.59	342.05	5.83	-46.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=C1COCC2	REAL300019858238	0	43	-1.0	-45.73	339.75	5.48	-40.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=C1COCC2	REAL300019858238	1	43	-1.0	-45.68	339.81	5.50	-40.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Br)N(C(C)(C)C)N=C1	REAL300019858239	0	44	-1.0	-43.95	362.89	5.18	-38.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Br)N(C(C)(C)C)N=C1	REAL300019858239	1	44	-1.0	-44.00	362.83	5.17	-38.83
CC1=CC(F)=CC(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858240	0	41	-1.0	-36.59	326.76	6.65	-29.94
CC1=CC(F)=CC(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858240	1	41	-1.0	-36.59	326.79	6.66	-29.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2CCC2)C=NN1C	REAL300019858241	0	45	-1.0	-43.18	351.42	5.69	-37.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2CCC2)C=NN1C	REAL300019858241	1	45	-1.0	-43.18	351.38	5.67	-37.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	REAL300019858242	0	51	-1.0	-36.89	383.84	5.70	-31.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	REAL300019858242	1	51	-1.0	-36.88	383.90	5.70	-31.18
COC(=O)C1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)O1	REAL300019858243	0	41	-1.0	-45.58	345.13	4.93	-40.65
COC(=O)C1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)O1	REAL300019858243	1	41	-1.0	-45.60	345.20	4.93	-40.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(CO)C1=CC=CC=C1	REAL300019858244	0	42	-1.0	-45.18	326.79	3.88	-41.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(CO)C1=CC=CC=C1	REAL300019858244	1	42	-1.0	-45.14	326.85	3.90	-41.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300019858245	0	48	0.0	-53.05	351.36	6.61	-46.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300019858245	1	48	0.0	-50.93	342.47	6.36	-44.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCN1C1CCCC1	REAL300019858245	1	47	-1.0	-41.04	335.82	3.11	-37.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCN1C1CCCC1	REAL300019858245	1	47	-1.0	-40.98	335.88	3.13	-37.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=C(Br)C=N1	REAL300019858246	0	34	-1.0	-35.75	315.24	6.33	-29.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=C(Br)C=N1	REAL300019858246	1	34	-1.0	-35.77	315.19	6.30	-29.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2NC(CO)=NC2=CC=C1	REAL300019858247	0	42	-1.0	-41.93	337.08	1.50	-40.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2NC(CO)=NC2=CC=C1	REAL300019858247	1	42	-1.0	-41.90	337.16	1.49	-40.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN=CC2=CC=CC=C21	REAL300019858248	0	43	-1.0	-42.94	349.99	6.86	-36.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN=CC2=CC=CC=C21	REAL300019858248	1	43	-1.0	-42.91	350.05	6.88	-36.03
CC(=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)CN1CCOCC1	REAL300019858249	0	48	-1.0	-44.06	359.98	2.72	-41.34
CC(=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)CN1CCOCC1	REAL300019858249	1	48	-1.0	-44.10	360.03	2.73	-41.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN=C(C2=CC=CO2)O1	REAL300019858250	0	37	-1.0	-46.02	319.12	0.80	-45.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN=C(C2=CC=CO2)O1	REAL300019858250	1	37	-1.0	-46.05	319.18	0.81	-45.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300019858251	0	38	-1.0	-46.94	328.82	4.58	-42.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300019858251	1	38	-1.0	-46.99	328.88	4.59	-42.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1	REAL300019858252	0	46	-1.0	-40.38	370.91	6.74	-33.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1	REAL300019858252	1	46	-1.0	-40.37	370.96	6.74	-33.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(SC(F)(F)F)=C1	REAL300019858253	0	39	-1.0	-41.83	341.11	6.70	-35.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(SC(F)(F)F)=C1	REAL300019858253	1	39	-1.0	-41.81	341.17	6.71	-35.10
CC1=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)SC(SCC(C)C)=N1	REAL300019858254	0	50	-1.0	-45.68	417.78	7.42	-38.26
CC1=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)SC(SCC(C)C)=N1	REAL300019858254	1	50	-1.0	-45.68	417.84	7.44	-38.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN2C=CC=NC2=N1	REAL300019858255	0	36	-1.0	-56.00	304.43	6.61	-49.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN2C=CC=NC2=N1	REAL300019858255	1	36	-1.0	-56.01	304.37	6.60	-49.41
CC1=C2C=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)NC2=CC=C1Br	REAL300019858256	0	42	-1.0	-36.03	346.85	7.70	-28.33
CC1=C2C=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)NC2=CC=C1Br	REAL300019858256	1	42	-1.0	-36.03	346.92	7.70	-28.33
COC1=CC=CC=C1C(F)(F)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858257	0	42	-1.0	-45.63	342.26	5.57	-40.06
COC1=CC=CC=C1C(F)(F)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858257	1	42	-1.0	-45.63	342.32	5.58	-40.05
CC1=NNC2=CC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C12	REAL300019858258	0	41	-1.0	-45.04	335.03	4.52	-40.52
CC1=NNC2=CC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C12	REAL300019858258	1	41	-1.0	-45.06	335.09	4.53	-40.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(F)C=CC2=CC=NC=C21	REAL300019858259	0	40	-1.0	-52.45	332.03	5.62	-46.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(F)C=CC2=CC=NC=C21	REAL300019858259	1	40	-1.0	-52.47	331.97	5.60	-46.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(N=NC(N)=O)C=C1	REAL300019858260	0	41	-1.0	-40.80	342.59	0.49	-40.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(N=NC(N)=O)C=C1	REAL300019858260	1	41	-1.0	-40.85	342.66	0.49	-40.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC(=S)N1C1CC1	REAL300019858261	0	40	-1.0	-45.50	330.84	5.59	-39.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC(=S)N1C1CC1	REAL300019858261	1	40	-1.0	-45.53	330.91	5.60	-39.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=C(C2OCCO2)O1	REAL300019858262	0	45	-1.0	-47.40	369.93	4.96	-42.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=C(C2OCCO2)O1	REAL300019858262	1	45	-1.0	-47.39	369.99	4.97	-42.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C2=CC=CN=C2)=N1	REAL300019858263	0	40	-1.0	-45.93	334.36	3.77	-42.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C2=CC=CN=C2)=N1	REAL300019858263	1	40	-1.0	-45.96	334.31	3.76	-42.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1	REAL300019858264	0	45	-1.0	-48.25	383.32	5.51	-42.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1	REAL300019858264	1	45	-1.0	-48.29	383.38	5.52	-42.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(OCC(=O)OC(C)(C)C)=C1	REAL300019858265	0	54	-1.0	-44.02	421.16	8.11	-35.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(OCC(=O)OC(C)(C)C)=C1	REAL300019858265	1	54	-1.0	-44.04	421.19	8.12	-35.92
COCCCN1N=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=CC1=O	REAL300019858266	0	47	-1.0	-42.73	373.03	3.62	-39.11
COCCCN1N=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=CC1=O	REAL300019858266	1	47	-1.0	-42.69	373.08	3.64	-39.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C(C)(C)C)C=C1Br	REAL300019858267	0	44	-1.0	-48.16	361.94	6.30	-41.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C(C)(C)C)C=C1Br	REAL300019858267	1	44	-1.0	-48.15	361.88	6.29	-41.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CSC2=NC=N1	REAL300019858268	0	36	-1.0	-44.07	303.61	5.92	-38.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CSC2=NC=N1	REAL300019858268	1	36	-1.0	-44.09	303.55	5.91	-38.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300019858269	0	52	-1.0	-41.45	361.63	6.49	-34.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300019858269	1	52	-1.0	-41.43	361.70	6.51	-34.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2=NOC=C2)OC=N1	REAL300019858270	0	37	-1.0	-55.11	313.19	3.18	-51.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2=NOC=C2)OC=N1	REAL300019858270	1	37	-1.0	-55.09	313.13	3.17	-51.92
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858271	0	63	-1.0	-44.93	465.80	7.57	-37.36
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858271	1	63	-1.0	-44.92	465.85	7.58	-37.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CC(=O)OC(C)(C)C)CCOCC1	REAL300019858272	0	57	-1.0	-55.88	394.42	5.94	-49.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CC(=O)OC(C)(C)C)CCOCC1	REAL300019858272	1	57	-1.0	-55.87	394.48	5.96	-49.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300019858273	0	49	-1.0	-37.83	384.88	6.74	-31.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300019858273	1	49	-1.0	-37.83	384.92	6.74	-31.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1C(C)C	REAL300019858274	0	44	-1.0	-45.88	336.39	6.88	-39.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1C(C)C	REAL300019858274	1	44	-1.0	-45.87	336.45	6.89	-38.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(OCC(=O)OC(C)(C)C)C=C1	REAL300019858275	0	54	-1.0	-51.73	421.45	7.92	-43.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(OCC(=O)OC(C)(C)C)C=C1	REAL300019858275	1	54	-1.0	-51.74	421.51	7.94	-43.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1N(C(=O)OC(C)(C)C)CC12CCCC2	REAL300019858276	0	59	-1.0	-62.35	431.03	6.99	-55.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1N(C(=O)OC(C)(C)C)CC12CCCC2	REAL300019858276	1	59	-1.0	-62.35	431.09	7.00	-55.35
CC1=NN(C(C)CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858277	0	44	-1.0	-46.98	349.45	5.35	-41.63
CC1=NN(C(C)CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019858277	1	44	-1.0	-47.00	349.51	5.36	-41.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC1=CC=CN=C1	REAL300019858278	0	43	-1.0	-46.49	346.52	6.05	-40.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC1=CC=CN=C1	REAL300019858278	1	43	-1.0	-46.48	346.58	6.06	-40.42
COC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1C(F)(F)F	REAL300019858279	0	42	-1.0	-43.73	347.68	5.42	-38.31
COC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1C(F)(F)F	REAL300019858279	1	42	-1.0	-43.72	347.74	5.43	-38.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=NN(C(C)(C)C)N=N1	REAL300019858280	0	45	-1.0	-49.73	362.13	3.83	-45.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=NN(C(C)(C)C)N=N1	REAL300019858280	1	45	-1.0	-49.72	362.19	3.84	-45.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2COCCC2=C1	REAL300019858281	0	43	-1.0	-48.51	334.52	5.12	-43.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2COCCC2=C1	REAL300019858281	1	43	-1.0	-48.55	334.58	5.14	-43.41
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858282	0	43	-1.0	-36.31	359.79	5.46	-30.85
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858282	1	43	-1.0	-36.28	359.85	5.48	-30.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300019858283	0	38	-1.0	-43.25	330.37	6.53	-36.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300019858283	1	38	-1.0	-43.27	330.42	6.55	-36.72
COC1=CC=C([C@@H]2C[C@H]2C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858284	0	46	-1.0	-47.74	359.86	6.56	-41.18
COC1=CC=C([C@@H]2C[C@H]2C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019858284	1	46	-1.0	-47.73	359.92	6.57	-41.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300019858285	0	44	-1.0	-38.30	358.68	6.89	-31.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300019858285	1	44	-1.0	-38.27	358.74	6.88	-31.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300019858286	0	54	-1.0	-45.35	409.43	10.01	-35.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300019858286	1	54	-1.0	-45.33	409.50	10.03	-35.30
COCC1=CN=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858287	0	41	-1.0	-46.61	330.79	2.95	-43.66
COCC1=CN=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858287	1	41	-1.0	-46.61	330.73	2.94	-43.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(F)(F)F)CCCCC1	REAL300019858288	0	44	-1.0	-32.96	309.54	6.17	-26.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(F)(F)F)CCCCC1	REAL300019858288	1	44	-1.0	-32.96	309.57	6.16	-26.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C(=O)N(C)C)CC1	REAL300019858289	0	51	-1.0	-61.10	366.98	5.27	-55.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C(=O)N(C)C)CC1	REAL300019858289	1	51	-1.0	-61.03	367.04	5.28	-55.75
CC1=C(Br)C=NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858290	0	37	-1.0	-42.88	309.68	4.28	-38.60
CC1=C(Br)C=NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858290	1	37	-1.0	-42.89	309.74	4.30	-38.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O	REAL300019858291	0	52	-1.0	-60.12	400.64	9.15	-50.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O	REAL300019858291	1	52	-1.0	-60.10	400.70	9.17	-50.93
COC1=CC=C(OC(C)(C)C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858292	0	49	-1.0	-40.23	362.03	6.05	-34.18
COC1=CC=C(OC(C)(C)C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019858292	1	49	-1.0	-40.31	362.08	6.06	-34.25
CC(C)CC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=C(Cl)C=C1	REAL300019858293	0	50	-1.0	-45.22	395.20	8.93	-36.29
CC(C)CC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=C(Cl)C=C1	REAL300019858293	1	50	-1.0	-45.18	395.26	8.95	-36.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1	REAL300019858294	0	45	-1.0	-40.09	378.98	5.44	-34.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1	REAL300019858294	1	45	-1.0	-40.04	379.01	5.45	-34.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1	REAL300019858295	0	48	-1.0	-48.58	375.39	5.27	-43.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1	REAL300019858295	1	48	-1.0	-48.54	375.45	5.29	-43.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=C(Cl)C=CC=C1Br	REAL300019858296	0	38	-1.0	-44.46	342.68	7.25	-37.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=C(Cl)C=CC=C1Br	REAL300019858296	1	38	-1.0	-44.49	342.74	7.27	-37.22
COC1=CC=CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1Cl	REAL300019858297	0	42	-1.0	-45.69	353.59	6.08	-39.61
COC1=CC=CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1Cl	REAL300019858297	1	42	-1.0	-45.72	353.65	6.09	-39.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)OC1=CC=C(Br)C=C1	REAL300019858298	0	45	-1.0	-45.70	351.09	6.82	-38.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)OC1=CC=C(Br)C=C1	REAL300019858298	1	45	-1.0	-45.71	351.15	6.84	-38.87
CCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)N(C)C(=O)OC(C)(C)C	REAL300019858299	0	54	-1.0	-42.56	405.66	6.47	-36.09
CCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)N(C)C(=O)OC(C)(C)C	REAL300019858299	1	54	-1.0	-42.56	405.72	6.48	-36.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CC1(Cl)Cl	REAL300019858300	0	38	-1.0	-41.91	332.96	6.64	-35.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CC1(Cl)Cl	REAL300019858300	1	38	-1.0	-41.92	333.02	6.66	-35.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(CC1COCCO1)C(F)(F)F	REAL300019858301	0	46	-1.0	-40.21	353.93	3.88	-36.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(CC1COCCO1)C(F)(F)F	REAL300019858301	1	46	-1.0	-40.22	353.99	3.89	-36.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300019858302	0	45	-1.0	-48.30	361.21	6.57	-41.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300019858302	1	45	-1.0	-48.34	361.26	6.59	-41.75
CC(C)C[C@H](NCC(F)(F)F)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858303	0	48	-1.0	-46.80	373.81	4.13	-42.67
CC(C)C[C@H](NCC(F)(F)F)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858303	1	48	-1.0	-46.80	373.87	4.15	-42.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	REAL300019858304	0	55	-1.0	-55.65	420.33	6.41	-49.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	REAL300019858304	1	55	-1.0	-55.71	420.39	6.42	-49.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(Br)C=C1F	REAL300019858305	0	38	-1.0	-42.61	337.31	6.97	-35.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(Br)C=C1F	REAL300019858305	1	38	-1.0	-42.62	337.37	6.98	-35.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019858306	0	41	-1.0	-58.59	347.23	5.40	-53.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019858306	1	41	-1.0	-58.58	347.18	5.38	-53.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(N2C=NN=N2)CCOCC1	REAL300019858307	0	44	-1.0	-45.73	324.34	1.32	-44.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(N2C=NN=N2)CCOCC1	REAL300019858307	1	44	-1.0	-45.70	324.30	1.32	-44.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN(C(=O)OC(C)(C)C)C(C)C	REAL300019858308	0	54	-1.0	-53.65	409.37	6.91	-46.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN(C(=O)OC(C)(C)C)C(C)C	REAL300019858308	1	54	-1.0	-53.66	409.43	6.93	-46.73
CC(=O)C1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1OC(C)C	REAL300019858309	0	50	-1.0	-47.95	389.79	7.62	-40.33
CC(=O)C1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1OC(C)C	REAL300019858309	1	50	-1.0	-47.98	389.85	7.64	-40.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300019858310	0	54	0.0	-70.22	399.01	6.22	-64.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300019858310	1	54	0.0	-58.76	393.26	6.24	-52.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300019858310	1	54	0.0	-70.19	398.96	6.20	-63.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300019858310	1	54	0.0	-58.76	393.21	6.22	-52.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300019858311	0	60	0.0	-55.42	427.45	7.40	-48.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300019858311	1	60	0.0	-70.52	436.34	7.29	-63.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300019858311	1	60	0.0	-55.41	427.39	7.39	-48.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300019858311	1	60	0.0	-70.56	436.29	7.27	-63.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1	REAL300019858312	0	47	-1.0	-43.62	376.29	6.02	-37.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1	REAL300019858312	1	47	-1.0	-43.61	376.24	6.02	-37.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2CCCCN2C=C1	REAL300019858313	0	43	-1.0	-49.81	338.31	6.77	-43.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2CCCCN2C=C1	REAL300019858313	1	43	-1.0	-49.76	338.36	6.78	-42.98
CC1=CC=NC(NC2=CC=CC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=C2)=N1	REAL300019858314	0	48	-1.0	-42.58	382.86	8.45	-34.13
CC1=CC=NC(NC2=CC=CC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=C2)=N1	REAL300019858314	1	48	-1.0	-42.50	382.80	8.45	-34.05
CCNC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL300019858315	0	39	-1.0	-46.69	322.80	3.04	-43.65
CCNC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL300019858315	1	39	-1.0	-46.68	322.75	3.03	-43.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)(F)C1=CC=C(Br)C=C1	REAL300019858316	0	38	-1.0	-39.29	336.01	6.86	-32.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)(F)C1=CC=C(Br)C=C1	REAL300019858316	1	38	-1.0	-39.33	336.07	6.87	-32.46
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858317	0	45	-1.0	-46.27	348.20	7.78	-38.49
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858317	1	45	-1.0	-46.26	348.26	7.80	-38.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2=CC=CC=C2CO1	REAL300019858318	0	43	-1.0	-47.96	333.87	6.76	-41.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2=CC=CC=C2CO1	REAL300019858318	1	43	-1.0	-47.99	333.92	6.79	-41.20
COC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1CCCCC1	REAL300019858319	0	48	-1.0	-37.33	354.62	6.50	-30.83
COC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CCCCC1	REAL300019858319	1	48	-1.0	-37.33	354.68	6.52	-30.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2OC(C)CC2=C1	REAL300019858320	0	43	-1.0	-47.07	337.64	5.61	-41.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2OC(C)CC2=C1	REAL300019858320	1	43	-1.0	-47.08	337.69	5.63	-41.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(C1)CCCCC2	REAL300019858321	0	48	-1.0	-38.04	353.24	7.86	-30.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(C1)CCCCC2	REAL300019858321	1	48	-1.0	-38.05	353.30	7.86	-30.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019858322	0	41	-1.0	-46.28	345.07	7.88	-38.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019858322	1	41	-1.0	-46.30	345.12	7.89	-38.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300019858323	0	41	-1.0	-67.25	347.85	6.55	-60.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300019858323	1	41	-1.0	-67.23	347.83	6.54	-60.69
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)N1C1=CN(C)N=C1	REAL300019858324	0	49	-1.0	-50.99	395.83	7.10	-43.89
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)N1C1=CN(C)N=C1	REAL300019858324	1	49	-1.0	-50.97	395.77	7.09	-43.88
CC1=NC(C2=CC=CS2)=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL300019858325	0	44	-1.0	-46.58	380.61	6.62	-39.96
CC1=NC(C2=CC=CS2)=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL300019858325	1	44	-1.0	-46.58	380.56	6.61	-39.97
COCC1=CSC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858326	0	39	-1.0	-48.05	318.71	3.51	-44.54
COCC1=CSC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858326	1	39	-1.0	-48.04	318.77	3.53	-44.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019858327	0	48	0.0	-67.51	368.98	5.60	-61.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019858327	1	48	0.0	-67.52	369.04	5.61	-61.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019858328	0	49	-1.0	-52.11	390.19	5.78	-46.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019858328	1	49	-1.0	-52.12	390.13	5.76	-46.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(N)=NC(Br)=C1	REAL300019858329	0	36	-1.0	-37.48	312.11	2.80	-34.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(N)=NC(Br)=C1	REAL300019858329	1	36	-1.0	-37.38	312.06	2.77	-34.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC2=C1COCC2	REAL300019858330	0	39	-1.0	-45.31	311.52	3.54	-41.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC2=C1COCC2	REAL300019858330	1	39	-1.0	-45.33	311.58	3.56	-41.77
CC1=CN2C=CC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CC2=N1	REAL300019858331	0	41	-1.0	-53.53	327.03	6.17	-47.36
CC1=CN2C=CC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CC2=N1	REAL300019858331	1	41	-1.0	-53.54	327.09	6.19	-47.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21	REAL300019858332	0	49	-1.0	-47.54	398.37	9.66	-37.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C2=CC=CC=C2SC2=CC=CC=C21	REAL300019858332	1	49	-1.0	-47.55	398.43	9.67	-37.88
COC1=CC(OC)=C2C(=O)C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CNC2=C1	REAL300019858333	0	49	-1.0	-59.92	392.20	4.17	-55.75
COC1=CC(OC)=C2C(=O)C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CNC2=C1	REAL300019858333	1	49	-1.0	-59.92	392.27	4.18	-55.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1NC(=O)C2=CC=CC=C21	REAL300019858334	0	43	-1.0	-53.16	350.22	4.10	-49.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1NC(=O)C2=CC=CC=C21	REAL300019858334	1	43	-1.0	-53.15	350.28	4.11	-49.04
CNC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1F	REAL300019858335	0	40	-1.0	-48.90	319.05	3.92	-44.98
CNC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1F	REAL300019858335	1	40	-1.0	-48.89	319.10	3.93	-44.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019858336	0	58	-1.0	-45.78	438.94	4.44	-41.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019858336	1	58	-1.0	-45.80	439.00	4.44	-41.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2C(C1)C2(F)F	REAL300019858337	0	42	-1.0	-36.83	326.15	6.73	-30.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2C(C1)C2(F)F	REAL300019858337	1	42	-1.0	-36.84	326.20	6.74	-30.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1	REAL300019858338	0	46	-1.0	-46.83	362.91	2.10	-44.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1	REAL300019858338	1	46	-1.0	-46.81	362.97	2.11	-44.70
COC1=CC=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1OC(F)F	REAL300019858339	0	46	-1.0	-52.12	377.32	5.72	-46.40
COC1=CC=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1OC(F)F	REAL300019858339	1	46	-1.0	-52.11	377.38	5.74	-46.37
CC1=CC=CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1Br	REAL300019858340	0	41	-1.0	-43.88	346.97	7.40	-36.48
CC1=CC=CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1Br	REAL300019858340	1	41	-1.0	-43.82	347.03	7.41	-36.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019858341	0	50	-1.0	-46.64	385.31	4.47	-42.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019858341	1	50	-1.0	-46.62	385.37	4.48	-42.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019858342	0	44	-1.0	-47.00	359.15	5.75	-41.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019858342	1	44	-1.0	-47.00	359.08	5.74	-41.26
CC1=CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=NC=C1Cl	REAL300019858343	0	40	-1.0	-50.45	339.79	5.78	-44.67
CC1=CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=NC=C1Cl	REAL300019858343	1	40	-1.0	-50.43	339.85	5.80	-44.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=C(N)C(Cl)=C1	REAL300019858344	0	37	-1.0	-35.74	318.36	4.03	-31.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=C(N)C(Cl)=C1	REAL300019858344	1	37	-1.0	-35.71	318.42	4.05	-31.66
CCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCC(F)(F)CC1	REAL300019858345	0	47	-1.0	-44.64	333.70	5.94	-38.70
CCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCC(F)(F)CC1	REAL300019858345	1	47	-1.0	-44.66	333.76	5.95	-38.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)(F)F)C=NN1C	REAL300019858346	0	38	-1.0	-42.44	319.18	4.52	-37.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)(F)F)C=NN1C	REAL300019858346	1	38	-1.0	-42.42	319.11	4.51	-37.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019858347	0	47	-1.0	-47.89	355.16	5.88	-42.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300019858347	1	47	-1.0	-47.90	355.22	5.90	-42.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(F)(F)F)CCOCC1	REAL300019858348	0	42	-1.0	-43.47	311.46	3.34	-40.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(F)(F)F)CCOCC1	REAL300019858348	1	42	-1.0	-43.47	311.52	3.36	-40.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019858349	0	38	-1.0	-38.31	332.61	6.70	-31.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019858349	1	38	-1.0	-38.34	332.66	6.71	-31.63
CSCC[C@H](NC(N)=O)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858350	0	44	-1.0	-52.07	354.12	1.94	-50.13
CSCC[C@H](NC(N)=O)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858350	1	44	-1.0	-52.11	354.18	1.96	-50.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019858351	0	48	-1.0	-43.58	359.97	7.56	-36.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019858351	1	48	-1.0	-43.57	360.03	7.58	-35.99
CCCCCCCCCCCCC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858352	0	70	-1.0	-45.56	501.88	12.05	-33.51
CCCCCCCCCCCCC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858352	1	70	-1.0	-45.54	501.94	12.07	-33.47
CCN1C(=O)NC2=CC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CC=C21	REAL300019858353	0	45	-1.0	-38.39	360.07	5.03	-33.36
CCN1C(=O)NC2=CC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CC=C21	REAL300019858353	1	45	-1.0	-38.36	360.10	5.04	-33.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019858354	0	46	-1.0	-38.51	365.10	5.69	-32.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300019858354	1	46	-1.0	-38.50	365.13	5.69	-32.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCCC(C)(C)C1	REAL300019858355	0	48	-1.0	-47.59	338.53	5.02	-42.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCCC(C)(C)C1	REAL300019858355	1	48	-1.0	-47.59	338.59	5.04	-42.55
COC(=O)N1CCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL300019858356	0	46	-1.0	-49.44	353.67	4.40	-45.04
COC(=O)N1CCC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL300019858356	1	46	-1.0	-49.44	353.74	4.41	-45.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=CN=C1Cl	REAL300019858357	0	40	-1.0	-48.20	336.73	5.56	-42.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=CN=C1Cl	REAL300019858357	1	40	-1.0	-48.19	336.68	5.54	-42.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCN(C(=O)OC(C)(C)C)C1	REAL300019858358	0	58	-1.0	-47.20	426.46	7.71	-39.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCN(C(=O)OC(C)(C)C)C1	REAL300019858358	1	58	-1.0	-47.14	426.57	7.73	-39.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN=C1SCC1=CC=CC=C1	REAL300019858359	0	47	-1.0	-36.07	385.65	7.19	-28.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN=C1SCC1=CC=CC=C1	REAL300019858359	1	47	-1.0	-36.06	385.61	7.19	-28.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C	REAL300019858360	0	58	-1.0	-44.53	445.39	4.40	-40.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C	REAL300019858360	1	58	-1.0	-44.52	445.45	4.42	-40.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=N1	REAL300019858361	0	54	-1.0	-53.23	431.75	3.29	-49.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(CCNC(=O)OC(C)(C)C)N=N1	REAL300019858361	1	54	-1.0	-53.23	431.69	3.30	-49.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1C1=CC=CN=C1	REAL300019858362	0	49	-1.0	-44.99	380.17	3.01	-41.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1C1=CC=CN=C1	REAL300019858362	1	49	-1.0	-45.04	380.12	2.99	-42.05
COC(C)(C(=O)OC(C)(C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858363	0	50	-1.0	-48.18	373.28	6.00	-42.18
COC(C)(C(=O)OC(C)(C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858363	1	50	-1.0	-48.16	373.33	6.01	-42.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(=O)OC(C)(C)C)CC1(C)C	REAL300019858364	0	53	-1.0	-42.33	389.05	7.14	-35.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(=O)OC(C)(C)C)CC1(C)C	REAL300019858364	1	53	-1.0	-42.27	389.10	7.16	-35.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C(=O)OC(C)(C)C)C1CCCC1	REAL300019858365	0	56	-1.0	-48.54	412.50	8.91	-39.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C(=O)OC(C)(C)C)C1CCCC1	REAL300019858365	1	56	-1.0	-48.55	412.56	8.94	-39.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=C(S(C)(=O)=O)O1	REAL300019858366	0	42	-1.0	-51.08	363.39	2.46	-48.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=C(S(C)(=O)=O)O1	REAL300019858366	1	42	-1.0	-51.04	363.45	2.48	-48.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019858367	0	45	-1.0	-41.24	359.73	7.07	-34.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019858367	1	45	-1.0	-41.24	359.79	7.08	-34.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Br)=CNC1=O	REAL300019858368	0	35	-1.0	-51.91	298.14	2.48	-49.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Br)=CNC1=O	REAL300019858368	1	35	-1.0	-51.86	298.18	2.49	-49.37
COCC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCCC1	REAL300019858369	0	48	-1.0	-38.46	333.37	5.13	-33.33
COCC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCCC1	REAL300019858369	1	48	-1.0	-38.52	333.44	5.13	-33.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2CCCCCN12	REAL300019858370	0	45	-1.0	-45.53	334.52	5.62	-39.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2CCCCCN12	REAL300019858370	1	45	-1.0	-45.53	334.58	5.63	-39.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300019858371	0	44	-1.0	-47.15	361.19	8.50	-38.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300019858371	1	44	-1.0	-47.11	361.24	8.51	-38.60
CC1=C(S(C)(=O)=O)C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL300019858372	0	41	-1.0	-56.65	348.74	2.11	-54.54
CC1=C(S(C)(=O)=O)C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL300019858372	1	41	-1.0	-56.65	348.79	2.13	-54.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CSC=C2S1	REAL300019858373	0	35	-1.0	-41.58	303.38	5.81	-35.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CSC=C2S1	REAL300019858373	1	35	-1.0	-41.55	303.44	5.79	-35.76
CC1=CC=CC=C1CC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858374	0	47	-1.0	-43.86	354.62	7.56	-36.30
CC1=CC=CC=C1CC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858374	1	47	-1.0	-43.85	354.68	7.57	-36.28
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)OC(C(F)F)=C1	REAL300019858375	0	38	-1.0	-38.09	320.03	5.77	-32.32
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)OC(C(F)F)=C1	REAL300019858375	1	38	-1.0	-38.10	320.09	5.77	-32.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2CC3=C(Cl)C=CC=C3C21	REAL300019858376	0	43	-1.0	-43.64	362.05	8.71	-34.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2CC3=C(Cl)C=CC=C3C21	REAL300019858376	1	43	-1.0	-43.66	362.11	8.72	-34.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300019858377	0	42	-1.0	-51.33	359.82	8.13	-43.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300019858377	1	42	-1.0	-51.32	359.88	8.15	-43.17
CC1=CC=C2OC=C(CC(=O)N(CC3=N[N-]N=N3)CC(C)C)C2=C1	REAL300019858378	0	44	-1.0	-49.88	359.87	7.34	-42.54
CC1=CC=C2OC=C(CC(=O)N(CC3=NN=N[N-]3)CC(C)C)C2=C1	REAL300019858378	1	44	-1.0	-49.90	359.92	7.35	-42.55
COC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=C(F)C=C1	REAL300019858379	0	42	-1.0	-35.74	343.28	6.28	-29.46
COC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=C(F)C=C1	REAL300019858379	1	42	-1.0	-35.75	343.34	6.28	-29.47
CCCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=CC(Cl)=C1	REAL300019858380	0	47	-1.0	-38.88	375.73	8.62	-30.26
CCCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=CC(Cl)=C1	REAL300019858380	1	47	-1.0	-38.95	375.80	8.64	-30.31
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)N1C1=NN(C)C=C1	REAL300019858381	0	49	-1.0	-54.43	396.13	7.80	-46.63
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)N1C1=NN(C)C=C1	REAL300019858381	1	49	-1.0	-54.41	396.07	7.78	-46.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=CN=C1C(C)C	REAL300019858382	0	44	-1.0	-47.60	353.16	6.14	-41.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=CN=C1C(C)C	REAL300019858382	1	44	-1.0	-47.63	353.21	6.16	-41.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=C[NH+]=C1C(C)C	REAL300019858382	1	45	0.0	-48.03	349.38	6.64	-41.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C	REAL300019858383	0	55	-1.0	-43.50	423.63	3.07	-40.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(CC1=NNC=C1)NC(=O)OC(C)(C)C	REAL300019858383	1	55	-1.0	-43.51	423.69	3.08	-40.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CN(C2CCOC2)C1	REAL300019858384	0	45	-1.0	-44.23	344.24	1.24	-42.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[NH+](C2CCOC2)C1	REAL300019858384	1	46	0.0	-61.11	348.30	4.21	-56.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CN(C2CCOC2)C1	REAL300019858384	1	45	-1.0	-44.28	344.30	1.25	-43.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(N2C=CN=C2)C=C1	REAL300019858385	0	45	-1.0	-47.53	366.51	8.69	-38.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(N2C=CN=C2)C=C1	REAL300019858385	1	45	-1.0	-47.59	366.57	8.71	-38.88
COC1=CC=C([C@]2(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C[C@H](O)C2)C=C1	REAL300019858386	0	50	-1.0	-39.81	374.33	3.82	-35.99
COC1=CC=C([C@]2(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C[C@H](O)C2)C=C1	REAL300019858386	1	50	-1.0	-39.85	374.38	3.82	-36.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CSCCSC1	REAL300019858387	0	42	-1.0	-44.56	345.00	4.05	-40.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CSCCSC1	REAL300019858387	1	42	-1.0	-44.56	345.06	4.06	-40.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC[NH+](CCC1)C2	REAL300019858388	0	48	0.0	-62.66	330.44	5.93	-56.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC[NH+](CCC1)C2	REAL300019858388	1	48	0.0	-62.67	330.38	5.92	-56.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(=O)C1=C(F)C=CC=C1F	REAL300019858389	0	43	-1.0	-47.98	359.45	6.98	-41.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(=O)C1=C(F)C=CC=C1F	REAL300019858389	1	43	-1.0	-47.98	359.50	7.00	-40.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2COCCN12	REAL300019858390	0	40	-1.0	-42.25	317.75	3.07	-39.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2COCCN12	REAL300019858390	1	40	-1.0	-42.25	317.81	3.09	-39.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(C#N)CCOCC1	REAL300019858391	0	43	-1.0	-53.80	334.80	3.95	-49.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(C#N)CCOCC1	REAL300019858391	1	43	-1.0	-53.82	334.86	3.97	-49.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1CCC(C2=CC=CC=C2)NC1=O	REAL300019858392	0	51	-1.0	-56.99	405.24	6.43	-50.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1CCC(C2=CC=CC=C2)NC1=O	REAL300019858392	1	51	-1.0	-57.00	405.30	6.44	-50.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C	REAL300019858393	0	56	-1.0	-55.62	419.39	3.72	-51.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C	REAL300019858393	1	56	-1.0	-55.63	419.45	3.73	-51.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(=O)NC2CCCCC21	REAL300019858394	0	49	-1.0	-43.10	353.66	3.83	-39.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(=O)NC2CCCCC21	REAL300019858394	1	49	-1.0	-43.12	353.73	3.84	-39.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300019858395	0	38	-2.0	-95.67	334.99	0.65	-95.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300019858395	1	38	-2.0	-95.65	335.05	0.66	-94.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300019858396	0	49	0.0	-56.96	367.99	4.96	-52.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300019858396	1	49	0.0	-56.96	367.94	4.95	-52.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(Br)C(O)=C1	REAL300019858397	0	39	-1.0	-46.37	340.25	4.05	-42.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(Br)C(O)=C1	REAL300019858397	1	39	-1.0	-46.34	340.31	4.07	-42.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(O)CNC(=O)OC(C)(C)C	REAL300019858398	0	52	-1.0	-48.63	405.23	1.15	-47.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(O)CNC(=O)OC(C)(C)C	REAL300019858398	1	52	-1.0	-48.63	405.29	1.16	-47.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=C(C#N)C(=O)[N-]C1=O	REAL300019858399	0	41	-2.0	-96.47	357.81	1.26	-95.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=C(C#N)C(=O)[N-]C1=O	REAL300019858399	1	41	-2.0	-96.44	357.90	1.27	-95.17
COC1=CC=C(CN2CCC2C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858400	0	51	-1.0	-43.20	395.63	3.87	-39.33
COC1=CC=C(CN2CCC2C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019858400	1	51	-1.0	-43.18	395.69	3.88	-39.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(N2CCOCC2)=NC=N1	REAL300019858401	0	46	-1.0	-39.57	361.30	5.07	-34.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(N2CCOCC2)=NC=N1	REAL300019858401	1	46	-1.0	-39.60	361.24	5.07	-34.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL300019858402	0	43	-1.0	-52.32	343.33	2.84	-49.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL300019858402	1	43	-1.0	-52.34	343.39	2.86	-49.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019858402	1	42	-2.0	-102.90	341.61	3.88	-99.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019858402	1	42	-2.0	-102.92	341.65	3.89	-99.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(O)CN1C(=O)OC(C)(C)C	REAL300019858403	0	56	-1.0	-57.29	413.93	2.99	-54.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(O)CN1C(=O)OC(C)(C)C	REAL300019858403	1	56	-1.0	-57.26	413.99	3.00	-54.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN(C)CCC1=CC=CC=C1	REAL300019858404	0	49	-1.0	-44.64	383.42	6.18	-38.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300019858404	1	50	0.0	-53.44	383.77	8.36	-45.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300019858404	1	50	0.0	-55.55	382.64	8.37	-47.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN(C)CCC1=CC=CC=C1	REAL300019858404	1	49	-1.0	-44.62	383.48	6.19	-38.43
COCCOCC[N@H+](C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858405	0	54	0.0	-59.76	411.25	4.57	-55.19
COCCOCC[N@@H+](C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858405	1	54	0.0	-59.51	414.39	4.69	-54.82
COCCOCC[N@H+](C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858405	1	54	0.0	-59.75	411.30	4.59	-55.16
COCCOCC[N@@H+](C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858405	1	54	0.0	-59.49	414.44	4.70	-54.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)N1CSCCSC1	REAL300019858406	0	45	-1.0	-48.90	355.64	6.32	-42.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)N1CSCCSC1	REAL300019858406	1	45	-1.0	-48.88	355.70	6.34	-42.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1CSCCSC1	REAL300019858407	0	45	-1.0	-44.08	362.75	4.34	-39.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1CSCCSC1	REAL300019858407	1	45	-1.0	-44.10	362.80	4.35	-39.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=C(C(N)=O)C(=O)NC1=O	REAL300019858408	0	45	-1.0	-48.98	373.01	-0.29	-49.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=C(C(N)=O)C(=O)NC1=O	REAL300019858408	1	45	-1.0	-48.98	373.07	-0.28	-49.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2=C(Cl)C=CC=C21	REAL300019858409	0	39	-1.0	-45.26	333.57	7.31	-37.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2=C(Cl)C=CC=C21	REAL300019858409	1	39	-1.0	-45.18	333.62	7.32	-37.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2=CSN=N2)C=C1	REAL300019858410	0	40	-1.0	-52.89	337.74	5.07	-47.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2=CSN=N2)C=C1	REAL300019858410	1	40	-1.0	-52.86	337.80	5.09	-47.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2=CC=CC=C2CC1	REAL300019858411	0	48	-1.0	-38.93	360.29	8.35	-30.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2=CC=CC=C2CC1	REAL300019858411	1	48	-1.0	-38.96	360.30	8.34	-30.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C1CCC1)C1CCC1	REAL300019858412	0	51	-1.0	-45.04	369.44	8.20	-36.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C1CCC1)C1CCC1	REAL300019858412	1	51	-1.0	-44.99	369.50	8.20	-36.79
CC1=CC=C(COC(C)C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858413	0	48	-1.0	-40.04	380.86	8.17	-31.87
CC1=CC=C(COC(C)C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019858413	1	48	-1.0	-40.00	380.86	8.17	-31.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC(Br)=CC=C2S1	REAL300019858414	0	38	-1.0	-43.11	334.92	6.64	-36.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC(Br)=CC=C2S1	REAL300019858414	1	38	-1.0	-43.12	334.98	6.65	-36.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2CCCCCCC21	REAL300019858415	0	48	-1.0	-44.97	345.29	7.33	-37.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2CCCCCCC21	REAL300019858415	1	48	-1.0	-44.98	345.35	7.35	-37.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=NN=NN2C=C1	REAL300019858416	0	36	-1.0	-33.64	297.86	3.35	-30.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=NN=NN2C=C1	REAL300019858416	1	36	-1.0	-33.63	297.73	3.35	-30.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C2CC2)CC1	REAL300019858417	0	48	-1.0	-36.36	347.81	7.60	-28.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C2CC2)CC1	REAL300019858417	1	48	-1.0	-36.37	347.88	7.60	-28.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2SC=CC2=NC=N1	REAL300019858418	0	36	-1.0	-41.29	308.85	6.36	-34.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2SC=CC2=NC=N1	REAL300019858418	1	36	-1.0	-41.28	308.79	6.36	-34.92
CCCCCCCCC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858419	0	55	-1.0	-37.09	412.98	9.37	-27.72
CCCCCCCCC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858419	1	55	-1.0	-37.09	412.97	9.37	-27.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(NC(=O)OC(C)(C)C)CC1	REAL300019858420	0	52	-1.0	-42.13	406.15	4.75	-37.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(NC(=O)OC(C)(C)C)CC1	REAL300019858420	1	52	-1.0	-42.15	406.20	4.76	-37.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	REAL300019858421	0	58	-1.0	-54.45	431.38	7.19	-47.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	REAL300019858421	1	58	-1.0	-54.45	431.43	7.20	-47.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1CN1C=CN=N1	REAL300019858422	0	44	-1.0	-56.84	355.65	5.68	-51.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1CN1C=CN=N1	REAL300019858422	1	44	-1.0	-56.86	355.61	5.67	-51.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1CN1C=CN=N1	REAL300019858423	0	44	-1.0	-56.84	355.65	5.68	-51.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1CN1C=CN=N1	REAL300019858423	1	44	-1.0	-56.86	355.61	5.67	-51.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1	REAL300019858424	0	59	-1.0	-55.76	441.75	7.13	-48.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1	REAL300019858424	1	59	-1.0	-55.74	441.80	7.15	-48.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)OC1=CC=C(C(F)(F)F)C=C1	REAL300019858425	0	48	-1.0	-38.54	372.63	7.89	-30.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)OC1=CC=C(C(F)(F)F)C=C1	REAL300019858425	1	48	-1.0	-38.58	372.68	7.89	-30.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300019858426	0	48	-1.0	-36.60	392.25	9.85	-26.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300019858426	1	48	-1.0	-36.64	392.31	9.86	-26.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300019858427	0	48	0.0	-50.60	350.01	6.80	-43.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2CCCC[N@H+]21	REAL300019858427	1	48	0.0	-46.90	350.56	6.76	-40.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1	REAL300019858428	0	46	-1.0	-53.84	382.07	6.11	-47.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1	REAL300019858428	1	46	-1.0	-53.84	382.02	6.09	-47.75
COC1=CC=C(CNC(=O)C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858429	0	50	-1.0	-45.04	410.22	4.45	-40.59
COC1=CC=C(CNC(=O)C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019858429	1	50	-1.0	-45.04	410.28	4.47	-40.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300019858430	0	59	0.0	-71.44	433.60	7.78	-63.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300019858430	1	59	0.0	-63.41	435.19	7.83	-55.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300019858430	1	59	0.0	-71.46	433.54	7.77	-63.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300019858430	1	59	0.0	-63.40	435.13	7.81	-55.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2	REAL300019858431	0	57	-1.0	-40.73	423.74	5.75	-34.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2	REAL300019858431	1	57	-1.0	-40.73	423.80	5.76	-34.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C1=NC=CS1	REAL300019858432	0	40	-1.0	-51.29	313.98	3.90	-47.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C1=NC=CS1	REAL300019858432	1	40	-1.0	-51.31	313.92	3.88	-47.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL300019858433	0	39	-1.0	-45.84	342.78	6.96	-38.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL300019858433	1	39	-1.0	-45.85	342.84	6.98	-38.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(OC2CC2(F)F)C=C1	REAL300019858434	0	43	-1.0	-41.87	355.40	6.47	-35.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(OC2CC2(F)F)C=C1	REAL300019858434	1	43	-1.0	-41.88	355.47	6.49	-35.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300019858435	0	39	-1.0	-33.46	342.27	5.57	-27.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300019858435	1	39	-1.0	-33.48	342.31	5.57	-27.91
COC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1Br	REAL300019858436	0	39	-1.0	-36.13	330.25	5.18	-30.95
COC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1Br	REAL300019858436	1	39	-1.0	-36.15	330.28	5.18	-30.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2CC3=CC=CC=C3C21	REAL300019858437	0	43	-1.0	-43.61	331.70	7.51	-36.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2CC3=CC=CC=C3C21	REAL300019858437	1	43	-1.0	-43.59	331.76	7.52	-36.07
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1OC(F)(F)F	REAL300019858438	0	42	-1.0	-42.48	344.73	5.56	-36.92
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1OC(F)(F)F	REAL300019858438	1	42	-1.0	-42.50	344.79	5.57	-36.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COC2=CC(F)=CC=C2C1	REAL300019858439	0	43	-1.0	-37.28	343.75	6.25	-31.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COC2=CC(F)=CC=C2C1	REAL300019858439	1	43	-1.0	-37.33	343.95	6.28	-31.05
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C(S(C)(=O)=O)O1	REAL300019858440	0	41	-1.0	-49.78	351.66	1.70	-48.08
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C(S(C)(=O)=O)O1	REAL300019858440	1	41	-1.0	-49.77	351.71	1.72	-48.05
CC1=CC=CC=C1COC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858441	0	48	-1.0	-40.40	377.56	8.03	-32.37
CC1=CC=CC=C1COC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858441	1	48	-1.0	-40.41	377.62	8.05	-32.36
CSC1=CC(C)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL300019858442	0	39	-1.0	-38.60	328.44	5.80	-32.80
CSC1=CC(C)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL300019858442	1	39	-1.0	-38.61	328.50	5.80	-32.81
COC(=O)C1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC2(CCC2)C1	REAL300019858443	0	48	-1.0	-39.63	366.23	6.90	-32.73
COC(=O)C1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC2(CCC2)C1	REAL300019858443	1	48	-1.0	-39.62	366.31	6.92	-32.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300019858444	0	44	-1.0	-47.04	334.08	6.11	-40.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300019858444	1	44	-1.0	-47.09	334.15	6.12	-40.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C(C)C)=C1	REAL300019858445	0	44	-1.0	-48.70	339.15	6.86	-41.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C(C)C)=C1	REAL300019858445	1	44	-1.0	-48.71	339.21	6.87	-41.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC(C(F)(F)F)=C1	REAL300019858446	0	35	-1.0	-34.00	312.58	5.60	-28.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC(C(F)(F)F)=C1	REAL300019858446	1	35	-1.0	-34.04	312.63	5.59	-28.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019858447	0	48	-1.0	-39.06	367.03	8.62	-30.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019858447	1	48	-1.0	-39.08	367.09	8.62	-30.46
COCCCN1C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL300019858448	0	45	-1.0	-44.07	359.72	3.88	-40.19
COCCCN1C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL300019858448	1	45	-1.0	-44.05	359.67	3.87	-40.18
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NN1C1CCOCC1	REAL300019858449	0	49	-1.0	-47.44	378.47	5.70	-41.74
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NN1C1CCOCC1	REAL300019858449	1	49	-1.0	-47.47	378.51	5.71	-41.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(=O)N(C2=CN(C)N=C2)C1	REAL300019858450	0	46	-1.0	-47.06	370.31	4.37	-42.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(=O)N(C2=CN(C)N=C2)C1	REAL300019858450	1	46	-1.0	-47.07	370.25	4.35	-42.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)C1=CC=NC=C1	REAL300019858451	0	43	-1.0	-43.14	340.70	5.80	-37.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)C1=CC=NC=C1	REAL300019858451	1	43	-1.0	-43.08	340.76	5.81	-37.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CSC2=CN=C1	REAL300019858452	0	37	-1.0	-45.31	316.62	4.67	-40.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CSC2=CN=C1	REAL300019858452	1	37	-1.0	-45.32	316.57	4.65	-40.67
CCOC1(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCOCC1	REAL300019858453	0	46	-1.0	-42.23	335.71	2.96	-39.27
CCOC1(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCOCC1	REAL300019858453	1	46	-1.0	-42.20	335.76	2.97	-39.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl	REAL300019858454	0	42	-1.0	-48.00	358.46	7.74	-40.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl	REAL300019858454	1	42	-1.0	-48.01	358.52	7.75	-40.26
COC1=CC=C(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)C(Br)=C1	REAL300019858455	0	45	-1.0	-44.05	375.65	6.78	-37.27
COC1=CC=C(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C(Br)=C1	REAL300019858455	1	45	-1.0	-44.05	375.71	6.80	-37.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019858456	0	44	-1.0	-53.50	362.54	5.68	-47.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019858456	1	44	-1.0	-53.47	362.48	5.66	-47.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300019858457	0	41	-1.0	-36.63	350.51	7.81	-28.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300019858457	1	41	-1.0	-36.66	350.57	7.83	-28.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Br)N=C2COCCN21	REAL300019858458	0	40	-1.0	-41.66	336.09	3.34	-38.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Br)N=C2COCCN21	REAL300019858458	1	40	-1.0	-41.68	336.15	3.36	-38.32
CC1=CC=CC=C1COCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858459	0	45	-1.0	-47.98	359.08	7.40	-40.58
CC1=CC=CC=C1COCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858459	1	45	-1.0	-47.97	359.13	7.41	-40.56
CC1=CC=CC(COCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858460	0	45	-1.0	-49.18	363.48	7.29	-41.89
CC1=CC=CC(COCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858460	1	45	-1.0	-49.21	363.54	7.30	-41.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2SC=CC2=CC=N1	REAL300019858461	0	37	-1.0	-49.58	314.97	6.25	-43.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2SC=CC2=CC=N1	REAL300019858461	1	37	-1.0	-49.58	314.92	6.24	-43.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300019858462	0	46	-1.0	-44.37	376.42	6.59	-37.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300019858462	1	46	-1.0	-44.37	376.48	6.61	-37.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019858463	0	44	-1.0	-65.97	339.33	4.37	-61.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019858463	1	44	-1.0	-65.89	339.39	4.37	-61.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300019858464	0	41	-2.0	-99.28	349.39	1.23	-98.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300019858464	1	41	-2.0	-99.29	349.35	1.22	-98.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(NS(C)(=O)=O)N=C1	REAL300019858464	1	42	-1.0	-49.36	347.77	1.18	-48.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(NS(C)(=O)=O)N=C1	REAL300019858464	1	42	-1.0	-49.35	347.72	1.17	-48.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=CC(C(F)F)=N1	REAL300019858465	0	38	-1.0	-55.52	323.81	4.46	-51.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=CC(C(F)F)=N1	REAL300019858465	1	38	-1.0	-55.51	323.86	4.47	-51.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=CC(=O)NC=C21	REAL300019858466	0	41	-1.0	-44.92	339.24	4.51	-40.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=CC(=O)NC=C21	REAL300019858466	1	41	-1.0	-44.87	339.18	4.49	-40.38
CC1=CN2C=CN=C2C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858467	0	41	-1.0	-46.77	329.34	5.91	-40.86
CC1=CN2C=CN=C2C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858467	1	41	-1.0	-46.71	329.40	5.91	-40.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(SC(F)(F)F)N=C1	REAL300019858468	0	38	-1.0	-39.64	335.39	5.36	-34.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(SC(F)(F)F)N=C1	REAL300019858468	1	38	-1.0	-39.72	335.34	5.36	-34.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC(N2CCOCC2)=N1	REAL300019858469	0	46	-1.0	-44.69	352.16	3.25	-41.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC(N2CCOCC2)=N1	REAL300019858469	1	46	-1.0	-44.72	352.11	3.24	-41.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1	REAL300019858470	0	41	-1.0	-42.27	370.76	8.42	-33.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1	REAL300019858470	1	41	-1.0	-42.27	370.76	8.40	-33.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	REAL300019858471	0	52	-1.0	-44.90	394.12	4.34	-40.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	REAL300019858471	1	52	-1.0	-44.91	394.17	4.36	-40.55
CC1=CC=C(COCC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858472	0	45	-1.0	-48.10	364.69	7.33	-40.77
CC1=CC=C(COCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019858472	1	45	-1.0	-48.08	364.75	7.35	-40.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(C=C1Br)OCO2	REAL300019858473	0	38	-1.0	-37.80	318.57	4.13	-33.67
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(C=C1Br)OCO2	REAL300019858473	1	38	-1.0	-37.83	318.63	4.13	-33.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C(F)F)=CC=C1F	REAL300019858474	0	38	-1.0	-46.42	319.33	6.22	-40.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C(F)F)=CC=C1F	REAL300019858474	1	38	-1.0	-46.43	319.38	6.22	-40.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019858475	0	49	-1.0	-53.38	378.37	6.23	-47.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019858475	1	49	-1.0	-53.37	378.43	6.24	-47.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019858476	0	42	-1.0	-40.99	348.35	6.50	-34.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019858476	1	42	-1.0	-40.96	348.29	6.50	-34.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)C2=CC=CN=C2S1	REAL300019858477	0	37	-1.0	-42.00	319.61	5.44	-36.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)C2=CC=CN=C2S1	REAL300019858477	1	37	-1.0	-41.97	319.58	5.44	-36.53
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858478	0	63	0.0	-46.30	472.50	11.23	-35.07
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858478	1	63	0.0	-69.30	463.53	10.81	-58.49
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858478	1	63	0.0	-46.22	472.46	11.20	-35.02
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858478	1	63	0.0	-69.21	463.47	10.79	-58.42
COC1=CC(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC(OC)=C1O	REAL300019858479	0	50	-1.0	-46.25	401.44	4.12	-42.13
COC1=CC(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC(OC)=C1O	REAL300019858479	1	50	-1.0	-46.24	401.49	4.14	-42.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1	REAL300019858480	0	45	-1.0	-44.40	368.25	5.55	-38.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1	REAL300019858480	1	45	-1.0	-44.43	368.31	5.57	-38.86
COC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1C	REAL300019858481	0	42	-1.0	-42.08	335.42	5.41	-36.67
COC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1C	REAL300019858481	1	42	-1.0	-42.07	335.47	5.42	-36.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300019858482	0	51	-1.0	-48.42	402.94	8.76	-39.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300019858482	1	51	-1.0	-48.44	403.01	8.77	-39.67
CCC1=CNC(=O)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858483	0	41	-1.0	-56.71	336.67	3.81	-52.90
CCC1=CNC(=O)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858483	1	41	-1.0	-56.62	336.72	3.83	-52.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)CC1=CC=CC=C1	REAL300019858484	0	42	-1.0	-44.02	333.59	4.92	-39.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)CC1=CC=CC=C1	REAL300019858484	1	42	-1.0	-44.06	333.65	4.94	-39.12
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858485	0	60	0.0	-41.97	441.00	10.87	-31.10
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858485	1	60	0.0	-73.12	441.69	10.30	-62.82
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858485	1	60	0.0	-41.97	440.74	10.84	-31.13
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858485	1	60	0.0	-73.12	441.64	10.28	-62.84
CC1=CC(F)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(F)=C1	REAL300019858486	0	38	-1.0	-51.08	320.67	6.11	-44.97
CC1=CC(F)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(F)=C1	REAL300019858486	1	38	-1.0	-51.04	320.73	6.12	-44.92
CC1=CC(C)=CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858487	0	44	-1.0	-45.67	353.38	7.63	-38.04
CC1=CC(C)=CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858487	1	44	-1.0	-45.66	353.44	7.65	-38.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019858488	0	45	-1.0	-38.16	372.17	5.63	-32.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019858488	1	45	-1.0	-38.14	372.11	5.63	-32.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(N2CCCC2)=C1	REAL300019858489	0	47	-1.0	-49.74	357.84	5.51	-44.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(N2CCCC2)=C1	REAL300019858489	1	47	-1.0	-49.78	357.90	5.53	-44.25
COC1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1OC(C)C	REAL300019858490	0	49	-1.0	-49.66	384.64	6.73	-42.93
COC1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1OC(C)C	REAL300019858490	1	49	-1.0	-49.66	384.70	6.75	-42.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CC=C(Br)N2N=C1	REAL300019858491	0	38	-1.0	-47.70	327.26	5.26	-42.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CC=C(Br)N2N=C1	REAL300019858491	1	38	-1.0	-47.68	327.20	5.24	-42.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019858492	0	45	-1.0	-40.23	373.15	5.50	-34.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019858492	1	45	-1.0	-40.26	373.09	5.50	-34.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019858493	0	46	-1.0	-50.10	365.53	5.48	-44.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019858493	1	46	-1.0	-50.10	365.59	5.49	-44.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019858494	0	46	-1.0	-48.59	364.30	5.48	-43.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019858494	1	46	-1.0	-48.61	364.36	5.49	-43.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC2=C1CC(=O)N2	REAL300019858495	0	39	-1.0	-42.24	325.85	3.14	-39.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC2=C1CC(=O)N2	REAL300019858495	1	39	-1.0	-42.25	325.91	3.16	-39.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019858496	0	41	-1.0	-36.86	348.83	6.75	-30.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019858496	1	41	-1.0	-36.86	348.69	6.74	-30.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	REAL300019858497	0	56	-1.0	-37.60	421.88	7.13	-30.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	REAL300019858497	1	56	-1.0	-37.66	421.93	7.14	-30.52
COC(=O)C=CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL300019858498	0	42	-1.0	-40.70	357.26	6.21	-34.49
COC(=O)C=CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL300019858498	1	42	-1.0	-40.72	357.31	6.22	-34.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=C(C(C)(C)C)C=C1	REAL300019858499	0	51	-1.0	-45.03	397.43	9.18	-35.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=C(C(C)(C)C)C=C1	REAL300019858499	1	51	-1.0	-45.00	397.49	9.20	-35.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(F)C=CC(F)=C1Cl	REAL300019858500	0	35	-1.0	-46.76	307.29	5.71	-41.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(F)C=CC(F)=C1Cl	REAL300019858500	1	35	-1.0	-46.76	307.35	5.72	-41.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1	REAL300019858501	0	61	-1.0	-45.86	455.79	7.96	-37.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1	REAL300019858501	1	61	-1.0	-45.90	455.85	7.97	-37.93
CCN1N=CC(Cl)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858502	0	38	-1.0	-40.01	320.55	4.42	-35.59
CCN1N=CC(Cl)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858502	1	38	-1.0	-40.01	320.49	4.41	-35.60
COC(=O)C1=C(C)C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL300019858503	0	41	-1.0	-41.55	342.11	5.23	-36.32
COC(=O)C1=C(C)C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL300019858503	1	41	-1.0	-41.56	342.17	5.24	-36.32
COC(=O)C1=CN(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1	REAL300019858504	0	41	-1.0	-50.00	347.60	4.39	-45.61
COC(=O)C1=CN(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1	REAL300019858504	1	41	-1.0	-49.94	347.54	4.37	-45.57
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858505	0	60	-1.0	-35.71	446.69	5.96	-29.75
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858505	1	60	-1.0	-35.70	446.76	5.97	-29.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@H](C)NC(=O)OC(C)(C)C	REAL300019858506	0	51	-1.0	-51.18	395.70	4.32	-46.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@H](C)NC(=O)OC(C)(C)C	REAL300019858506	1	51	-1.0	-51.22	395.76	4.34	-46.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CCC(NC(=O)OC(C)(C)C)C1	REAL300019858507	0	53	-1.0	-37.80	404.82	4.88	-32.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CCC(NC(=O)OC(C)(C)C)C1	REAL300019858507	1	53	-1.0	-37.79	404.88	4.89	-32.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C)N=C1C1=CC=CO1	REAL300019858508	0	42	-1.0	-54.66	340.06	5.57	-49.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C)N=C1C1=CC=CO1	REAL300019858508	1	42	-1.0	-54.69	340.00	5.55	-49.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=C(C(N)=O)O1	REAL300019858509	0	40	-1.0	-45.67	339.94	1.75	-43.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=C(C(N)=O)O1	REAL300019858509	1	40	-1.0	-45.65	340.00	1.75	-43.90
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)OC(S(N)(=O)=O)=C1	REAL300019858510	0	40	-1.0	-41.75	342.08	-0.33	-42.08
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)OC(S(N)(=O)=O)=C1	REAL300019858510	1	40	-1.0	-41.76	342.14	-0.33	-42.09
CSC1=CC=C(O)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858511	0	40	-1.0	-42.32	329.17	4.41	-37.91
CSC1=CC=C(O)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858511	1	40	-1.0	-42.37	329.24	4.42	-37.95
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL300019858512	0	59	-1.0	-56.78	435.97	5.35	-51.43
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL300019858512	1	59	-1.0	-56.76	436.03	5.36	-51.40
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C	REAL300019858513	0	53	-1.0	-50.73	400.06	7.09	-43.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C	REAL300019858513	1	53	-1.0	-50.73	400.12	7.11	-43.62
CC1=CC=C(C2=NN(C)C=C2C(=O)N(CC2=NN=N[N-]2)CC(C)C)O1	REAL300019858514	0	45	-1.0	-41.96	362.70	6.76	-35.20
CC1=CC=C(C2=NN(C)C=C2C(=O)N(CC2=N[N-]N=N2)CC(C)C)O1	REAL300019858514	1	45	-1.0	-41.94	362.65	6.74	-35.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC=CC=C2)CCCCCC1	REAL300019858515	0	54	-1.0	-42.61	359.74	8.16	-34.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC=CC=C2)CCCCCC1	REAL300019858515	1	54	-1.0	-42.59	359.80	8.16	-34.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)NC1=C(F)C=CC=C1F	REAL300019858516	0	39	-1.0	-44.55	327.17	4.13	-40.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)NC1=C(F)C=CC=C1F	REAL300019858516	1	39	-1.0	-44.56	327.23	4.14	-40.42
CC1=CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)N1C1=CC=CC=C1	REAL300019858517	0	52	-1.0	-49.64	415.29	10.22	-39.42
CC1=CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)N1C1=CC=CC=C1	REAL300019858517	1	52	-1.0	-49.62	415.35	10.23	-39.39
CC1=CC=CC(N2C=NC3=CC(C(=O)N(CC4=NN=N[N-]4)CC(C)C)=CC=C32)=C1	REAL300019858518	0	51	-1.0	-47.88	408.93	10.32	-37.56
CC1=CC=CC(N2C=NC3=CC(C(=O)N(CC4=N[N-]N=N4)CC(C)C)=CC=C32)=C1	REAL300019858518	1	51	-1.0	-47.88	408.88	10.31	-37.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C	REAL300019858519	0	43	-1.0	-39.94	358.44	4.47	-35.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C(=CN=C1)N=C(C(F)(F)F)N2C	REAL300019858519	1	43	-1.0	-39.93	358.38	4.46	-35.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2=CC(F)=CC=C21	REAL300019858520	0	42	-1.0	-38.10	333.66	7.46	-30.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2=CC(F)=CC=C21	REAL300019858520	1	42	-1.0	-38.14	333.72	7.45	-30.69
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1C	REAL300019858521	0	48	-1.0	-46.51	371.29	8.60	-37.91
CC1=CC=C([C@@H]2C[C@H]2C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1C	REAL300019858521	1	48	-1.0	-46.50	371.36	8.61	-37.89
CCOCCN1C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL300019858522	0	45	-1.0	-39.86	360.05	4.07	-35.79
CCOCCN1C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL300019858522	1	45	-1.0	-39.87	360.00	4.06	-35.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300019858523	0	46	-1.0	-45.37	373.84	7.00	-38.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300019858523	1	46	-1.0	-45.34	373.90	7.01	-38.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)(F)F)SC=C1	REAL300019858524	0	35	-1.0	-41.49	306.26	5.36	-36.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)(F)F)SC=C1	REAL300019858524	1	35	-1.0	-41.50	306.33	5.38	-36.12
CC1=NN(C2CCOCC2)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858525	0	49	-1.0	-43.75	373.41	4.58	-39.17
CC1=NN(C2CCOCC2)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858525	1	49	-1.0	-43.73	373.47	4.60	-39.13
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858526	0	54	-1.0	-41.69	403.05	2.83	-38.86
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858526	1	54	-1.0	-41.65	403.08	2.84	-38.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)N(C)N=C1Cl	REAL300019858527	0	35	-1.0	-42.89	322.48	3.92	-38.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)N(C)N=C1Cl	REAL300019858527	1	35	-1.0	-42.88	322.42	3.91	-38.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300019858528	0	44	-1.0	-47.81	374.40	7.09	-40.72
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300019858528	1	44	-1.0	-47.81	374.34	7.07	-40.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC1CC1=CC=CC=C1	REAL300019858529	0	51	-1.0	-39.52	387.70	9.72	-29.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC1CC1=CC=CC=C1	REAL300019858529	1	51	-1.0	-39.56	387.75	9.73	-29.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300019858530	0	48	-1.0	-45.24	379.34	7.57	-37.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300019858530	1	48	-1.0	-45.23	379.29	7.55	-37.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2CCCC2)CCNC1=O	REAL300019858531	0	49	-1.0	-45.54	338.98	3.49	-42.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2CCCC2)CCNC1=O	REAL300019858531	1	49	-1.0	-45.55	339.13	3.51	-42.04
CCOC1=CC=CC(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858532	0	46	-1.0	-47.09	368.71	6.87	-40.22
CCOC1=CC=CC(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858532	1	46	-1.0	-47.12	368.77	6.88	-40.24
COC1=CC=C(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858533	0	43	-1.0	-46.10	346.80	5.96	-40.14
COC1=CC=C(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019858533	1	43	-1.0	-46.08	346.85	5.97	-40.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(F)C(Cl)=C1	REAL300019858534	0	38	-1.0	-45.52	333.15	6.87	-38.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(F)C(Cl)=C1	REAL300019858534	1	38	-1.0	-45.57	333.21	6.88	-38.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC=CC=C2)CC1(C)C	REAL300019858535	0	48	-1.0	-51.52	356.06	7.86	-43.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC=CC=C2)CC1(C)C	REAL300019858535	1	48	-1.0	-51.58	356.12	7.87	-43.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCOC1=CC=C(Cl)C(F)=C1	REAL300019858536	0	42	-1.0	-43.97	363.01	6.51	-37.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCOC1=CC=C(Cl)C(F)=C1	REAL300019858536	1	42	-1.0	-43.98	363.07	6.52	-37.46
CC(=CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=CS1	REAL300019858537	0	39	-1.0	-43.09	329.79	6.72	-36.37
CC(=CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=CS1	REAL300019858537	1	39	-1.0	-43.08	329.85	6.74	-36.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC=C1C(F)(F)F	REAL300019858538	0	35	-1.0	-38.12	306.65	5.45	-32.67
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC=C1C(F)(F)F	REAL300019858538	1	35	-1.0	-38.16	306.71	5.47	-32.69
CCCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=C(Cl)C=C1	REAL300019858539	0	47	-1.0	-36.85	381.87	8.88	-27.97
CCCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=C(Cl)C=C1	REAL300019858539	1	47	-1.0	-36.86	381.88	8.88	-27.98
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858540	0	52	-1.0	-45.61	403.65	5.50	-40.11
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858540	1	52	-1.0	-45.64	403.71	5.52	-40.12
CCC(NC1=CC=CN=C1Cl)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858541	0	45	-1.0	-47.83	353.92	3.89	-43.94
CCC(NC1=CC=CN=C1Cl)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858541	1	45	-1.0	-47.83	353.86	3.88	-43.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019858542	0	41	-1.0	-53.35	336.93	1.79	-51.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019858542	1	41	-1.0	-53.38	337.04	1.80	-51.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1	REAL300019858543	0	59	-1.0	-39.40	394.76	7.32	-32.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1	REAL300019858543	1	59	-1.0	-39.38	394.82	7.34	-32.04
CCOCCOCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858544	0	48	-1.0	-49.45	383.05	4.36	-45.09
CCOCCOCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858544	1	48	-1.0	-49.47	383.10	4.37	-45.10
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858545	0	43	-1.0	-52.58	356.10	4.80	-47.78
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858545	1	43	-1.0	-52.58	356.17	4.81	-47.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019858546	0	44	-1.0	-46.53	369.57	5.76	-40.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019858546	1	44	-1.0	-46.52	369.62	5.77	-40.75
COC1=CC=CC(C(OC)C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858547	0	46	-1.0	-47.89	364.36	5.33	-42.56
COC1=CC=CC(C(OC)C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858547	1	46	-1.0	-47.86	364.42	5.35	-42.51
COCCOCCOCCCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858548	0	52	-1.0	-50.98	416.68	3.72	-47.26
COCCOCCOCCCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858548	1	52	-1.0	-51.02	416.73	3.73	-47.29
COC1=CC2=CC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C2C=C1OC	REAL300019858549	0	49	-1.0	-40.92	384.79	6.67	-34.25
COC1=CC2=CC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C2C=C1OC	REAL300019858549	1	49	-1.0	-40.95	384.81	6.69	-34.26
CSC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(C)O1	REAL300019858550	0	39	-1.0	-45.08	332.76	5.32	-39.76
CSC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(C)O1	REAL300019858550	1	39	-1.0	-45.10	332.81	5.33	-39.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(N2C=NN=N2)CCOCC1	REAL300019858551	0	47	-1.0	-56.49	359.34	4.32	-52.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(N2C=NN=N2)CCOCC1	REAL300019858551	1	47	-1.0	-56.46	359.29	4.30	-52.16
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL300019858552	0	48	-2.0	-118.90	395.92	6.47	-112.43
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL300019858552	1	48	-2.0	-118.90	395.98	6.48	-112.42
CC(=O)NC1=CNC(=O)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858553	0	42	-1.0	-63.26	339.05	0.80	-62.46
CC(=O)NC1=CNC(=O)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858553	1	42	-1.0	-63.22	339.10	0.81	-62.41
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(N2C=CC=C2)S1	REAL300019858554	0	43	-1.0	-46.38	350.38	7.50	-38.88
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(N2C=CC=C2)S1	REAL300019858554	1	43	-1.0	-46.33	350.44	7.51	-38.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019858555	0	41	-2.0	-112.18	340.61	5.16	-107.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019858555	1	41	-2.0	-112.26	340.56	5.15	-107.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019858555	1	41	-2.0	-112.10	340.64	5.16	-106.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019858555	1	41	-2.0	-112.08	340.58	5.14	-106.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019858556	0	38	-2.0	-81.48	326.24	3.26	-78.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019858556	1	38	-2.0	-81.47	326.17	3.25	-78.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019858556	1	38	-2.0	-81.47	326.30	3.27	-78.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019858556	1	38	-2.0	-81.50	326.23	3.26	-78.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)COCC1=NC(C2=CC=CC=C2)=NO1	REAL300019858557	0	47	-1.0	-54.16	394.24	5.32	-48.84
CC(C)CN(CC1=N[N-]N=N1)C(=O)COCC1=NC(C2=CC=CC=C2)=NO1	REAL300019858557	1	47	-1.0	-54.09	394.19	5.30	-48.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300019858558	0	41	-1.0	-40.09	370.27	3.14	-36.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)CNC(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300019858558	1	41	-1.0	-40.10	370.21	3.12	-36.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)(F)F)C=NN1	REAL300019858559	0	35	-1.0	-44.16	308.23	2.87	-41.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)(F)F)C=NN1	REAL300019858559	1	35	-1.0	-44.14	308.29	2.88	-41.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC(C2CC2)=NO1	REAL300019858560	0	41	-1.0	-49.78	337.58	5.98	-43.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC(C2CC2)=NO1	REAL300019858560	1	41	-1.0	-49.77	337.64	6.00	-43.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300019858561	0	41	-2.0	-94.60	341.57	0.71	-93.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300019858561	1	41	-2.0	-94.64	341.63	0.72	-93.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1	REAL300019858562	0	47	-1.0	-46.88	372.78	6.81	-40.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1	REAL300019858562	1	47	-1.0	-46.81	372.72	6.81	-40.00
CC1=NOC(C2(C(=O)N(CC3=N[N-]N=N3)CC(C)C)CC2)=C1	REAL300019858563	0	41	-1.0	-40.02	324.97	5.25	-34.77
CC1=NOC(C2(C(=O)N(CC3=NN=N[N-]3)CC(C)C)CC2)=C1	REAL300019858563	1	41	-1.0	-40.01	325.02	5.26	-34.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCN(CC(F)(F)F)CC1	REAL300019858564	0	49	-1.0	-43.29	379.07	5.30	-37.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCN(CC(F)(F)F)CC1	REAL300019858564	1	49	-1.0	-43.31	379.13	5.32	-37.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300019858565	0	48	0.0	-37.47	350.31	6.75	-30.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC2CCC[N@H+]21	REAL300019858565	1	48	0.0	-44.65	348.34	6.54	-38.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C	REAL300019858566	0	59	-1.0	-43.42	411.82	7.78	-35.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C	REAL300019858566	1	59	-1.0	-43.45	411.88	7.79	-35.66
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300019858567	0	46	-1.0	-47.76	363.12	3.13	-44.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300019858567	1	46	-1.0	-47.79	363.18	3.15	-44.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C(=CN=C1)N=CN2C	REAL300019858568	0	40	-1.0	-44.99	326.34	4.85	-40.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C(=CN=C1)N=CN2C	REAL300019858568	1	40	-1.0	-44.98	326.41	4.87	-40.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCN1C1=NC=CC=N1	REAL300019858569	0	45	-1.0	-45.95	343.56	4.71	-41.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCN1C1=NC=CC=N1	REAL300019858569	1	45	-1.0	-45.90	343.50	4.69	-41.21
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(I)=NN1	REAL300019858570	0	35	-1.0	-46.58	315.35	3.18	-43.40
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(I)=NN1	REAL300019858570	1	35	-1.0	-46.61	315.40	3.20	-43.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019858571	0	44	-1.0	-48.11	350.06	6.17	-41.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019858571	1	44	-1.0	-48.12	350.12	6.19	-41.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NN=C(C2CC2)O1	REAL300019858572	0	43	-1.0	-46.62	355.45	1.69	-44.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NN=C(C2CC2)O1	REAL300019858572	1	43	-1.0	-46.63	355.51	1.70	-44.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C(C)C)N=C1C1CCOCC1	REAL300019858573	0	55	-1.0	-38.84	418.72	5.94	-32.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C(C)C)N=C1C1CCOCC1	REAL300019858573	1	55	-1.0	-38.83	418.77	5.95	-32.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(CCO)N=C1C1CCOCC1	REAL300019858574	0	53	-1.0	-38.91	411.48	2.06	-36.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(CCO)N=C1C1CCOCC1	REAL300019858574	1	53	-1.0	-38.90	411.54	2.07	-36.83
CC(=O)NC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=N1	REAL300019858575	0	41	-1.0	-49.44	331.38	3.61	-45.83
CC(=O)NC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=N1	REAL300019858575	1	41	-1.0	-49.44	331.32	3.59	-45.85
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858576	0	55	-1.0	-44.78	417.55	7.91	-36.87
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858576	1	55	-1.0	-44.78	417.61	7.92	-36.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(CN2C=NC=N2)=C1	REAL300019858577	0	44	-1.0	-43.31	358.99	8.30	-35.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(CN2C=NC=N2)=C1	REAL300019858577	1	44	-1.0	-43.34	358.95	8.29	-35.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=C2C(F)=CC=CN21	REAL300019858578	0	38	-1.0	-45.27	316.73	7.42	-37.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=C2C(F)=CC=CN21	REAL300019858578	1	38	-1.0	-45.22	316.67	7.41	-37.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CNC2=CC=C(Br)C=C12	REAL300019858579	0	42	-1.0	-45.28	362.09	6.91	-38.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CNC2=CC=C(Br)C=C12	REAL300019858579	1	42	-1.0	-45.28	362.15	6.92	-38.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC=C(Cl)Cl	REAL300019858580	0	33	-1.0	-43.79	308.10	5.61	-38.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC=C(Cl)Cl	REAL300019858580	1	33	-1.0	-43.78	308.16	5.62	-38.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCN(C)C1=O	REAL300019858581	0	45	-1.0	-42.39	315.97	4.02	-38.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCN(C)C1=O	REAL300019858581	1	45	-1.0	-42.41	316.03	4.02	-38.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300019858582	0	43	-1.0	-50.40	357.93	5.35	-45.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300019858582	1	43	-1.0	-50.43	357.99	5.36	-45.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(CCCC2O)NC1=O	REAL300019858583	0	46	-1.0	-51.20	352.17	0.61	-50.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(CCCC2O)NC1=O	REAL300019858583	1	46	-1.0	-51.17	352.23	0.61	-50.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=NC2=C(N)N=CN=C21	REAL300019858584	0	44	-1.0	-45.26	361.10	5.58	-39.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=NC2=C(N)N=CN=C21	REAL300019858584	1	44	-1.0	-45.30	361.04	5.56	-39.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC(O)=C(O)C=C2S1	REAL300019858585	0	40	-1.0	-47.55	335.74	1.13	-46.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC(O)=C(O)C=C2S1	REAL300019858585	1	40	-1.0	-47.49	335.80	1.15	-46.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNN=C1I	REAL300019858586	0	32	-1.0	-34.89	288.19	2.73	-32.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNN=C1I	REAL300019858586	1	32	-1.0	-34.84	288.24	2.75	-32.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC=CCC1=CC=CC=C1	REAL300019858587	0	45	-1.0	-46.30	363.14	8.41	-37.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC=CCC1=CC=CC=C1	REAL300019858587	1	45	-1.0	-46.36	363.19	8.42	-37.94
CC1=CC=C(NC2=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)N=CS2)C=C1	REAL300019858588	0	46	-1.0	-41.65	376.89	7.58	-34.07
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC=NC=C2)CCC1	REAL300019858589	0	44	-1.0	-44.95	331.59	5.28	-39.67
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC=NC=C2)CCC1	REAL300019858589	1	44	-1.0	-44.91	331.65	5.29	-39.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC(C2=CN=CC=N2)=NO1	REAL300019858590	0	38	-1.0	-45.86	328.77	0.31	-45.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC(C2=CN=CC=N2)=NO1	REAL300019858590	1	38	-1.0	-45.89	328.83	0.33	-45.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CN(C(=O)OC(C)(C)C)CCN1C	REAL300019858591	0	57	-1.0	-47.78	427.11	4.01	-43.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CN(C(=O)OC(C)(C)C)CCN1C	REAL300019858591	1	57	-1.0	-47.75	427.16	4.03	-43.72
C#CCN(CC(=O)N(CC1=N[N-]N=N1)CC(C)C)C(=O)OC(C)(C)C	REAL300019858592	0	50	-1.0	-54.94	399.99	6.75	-48.19
C#CCN(CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C(=O)OC(C)(C)C	REAL300019858592	1	50	-1.0	-54.93	400.04	6.76	-48.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CN=C1SCC1=CC=CC=C1	REAL300019858593	0	47	-1.0	-49.66	395.04	8.17	-41.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=CN=C1SCC1=CC=CC=C1	REAL300019858593	1	47	-1.0	-49.65	394.99	8.16	-41.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC=CC=N2)CC1	REAL300019858594	0	41	-1.0	-40.41	320.97	5.56	-34.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC=CC=N2)CC1	REAL300019858594	1	41	-1.0	-40.45	320.91	5.56	-34.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCS1(=O)=O	REAL300019858595	0	41	-1.0	-65.06	330.39	2.53	-62.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCS1(=O)=O	REAL300019858595	1	41	-1.0	-65.04	330.45	2.55	-62.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC=CC=C2OC1C(F)(F)F	REAL300019858596	0	44	-1.0	-44.55	361.15	6.69	-37.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC=CC=C2OC1C(F)(F)F	REAL300019858596	1	44	-1.0	-44.55	361.21	6.70	-37.85
CC1=CC=C(C(=O)C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858597	0	44	-1.0	-43.49	365.24	7.43	-36.06
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CC1=CN(C(C)(C)C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL300019858598	0	44	-1.0	-35.83	327.91	6.57	-29.26
CC1=CN(C(C)(C)C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL300019858598	1	44	-1.0	-35.80	327.96	6.59	-29.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC=NC2=C1F	REAL300019858599	0	38	-1.0	-45.98	310.38	4.84	-41.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC=NC2=C1F	REAL300019858599	1	38	-1.0	-46.00	310.45	4.85	-41.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(N2N=NN=C2N)=C1	REAL300019858600	0	42	-1.0	-41.62	341.52	5.13	-36.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(N2N=NN=C2N)=C1	REAL300019858600	1	42	-1.0	-41.60	341.48	5.12	-36.48
CC1=CC=CC=C1NC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=CS1	REAL300019858601	0	46	-1.0	-42.02	373.13	7.62	-34.40
CC1=CC=CC=C1NC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=CS1	REAL300019858601	1	46	-1.0	-42.06	373.08	7.62	-34.44
CCN1C(Br)=NC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858602	0	38	-1.0	-41.71	316.02	4.81	-36.90
CCN1C(Br)=NC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858602	1	38	-1.0	-41.68	315.96	4.80	-36.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C(F)(F)F)=CNC1=O	REAL300019858603	0	38	-1.0	-46.55	324.54	2.57	-43.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C(F)(F)F)=CNC1=O	REAL300019858603	1	38	-1.0	-46.55	324.61	2.57	-43.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(CO)NC(=O)OCC1=CC=CC=C1	REAL300019858604	0	50	-1.0	-38.05	406.63	1.90	-36.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(CO)NC(=O)OCC1=CC=CC=C1	REAL300019858604	1	50	-1.0	-38.12	406.67	1.91	-36.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN2N=NN=C12	REAL300019858605	0	36	-1.0	-52.96	295.11	2.47	-50.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN2N=NN=C12	REAL300019858605	1	36	-1.0	-52.93	295.05	2.46	-50.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C=CN=C2C(Br)=C1	REAL300019858606	0	38	-1.0	-40.56	338.28	6.60	-33.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C=CN=C2C(Br)=C1	REAL300019858606	1	38	-1.0	-40.58	338.23	6.58	-34.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1	REAL300019858607	0	54	-1.0	-43.13	427.83	4.80	-38.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1	REAL300019858607	1	54	-1.0	-43.15	427.89	4.82	-38.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(I)=NN1C	REAL300019858608	0	35	-1.0	-40.35	305.62	3.88	-36.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(I)=NN1C	REAL300019858608	1	35	-1.0	-40.36	305.56	3.87	-36.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C1=CC=C(C#N)C=C1	REAL300019858609	0	45	-1.0	-38.14	343.01	7.66	-30.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C1=CC=C(C#N)C=C1	REAL300019858609	1	45	-1.0	-38.15	343.05	7.66	-30.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1	REAL300019858610	0	58	-1.0	-41.62	437.00	5.55	-36.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1	REAL300019858610	1	58	-1.0	-41.61	437.07	5.55	-36.06
CC(=CC1=CC=C(Br)O1)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858611	0	39	-1.0	-44.28	326.44	5.85	-38.43
CC(=CC1=CC=C(Br)O1)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858611	1	39	-1.0	-44.24	326.50	5.87	-38.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1	REAL300019858612	0	45	-1.0	-49.28	390.82	6.03	-43.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1	REAL300019858612	1	45	-1.0	-49.26	390.76	6.01	-43.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C=O)=CC=C1F	REAL300019858613	0	37	-1.0	-50.48	308.49	5.01	-45.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C=O)=CC=C1F	REAL300019858613	1	37	-1.0	-50.49	308.55	5.01	-45.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(C=O)C=C1	REAL300019858614	0	40	-1.0	-50.25	333.83	6.04	-44.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(C=O)C=C1	REAL300019858614	1	40	-1.0	-50.20	333.88	6.04	-44.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(C=O)=CNC2=C1	REAL300019858615	0	41	-1.0	-54.13	333.65	4.99	-49.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(C=O)=CNC2=C1	REAL300019858615	1	41	-1.0	-54.15	333.68	5.01	-49.14
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1C	REAL300019858616	0	54	-1.0	-53.51	429.02	9.64	-43.87
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1C	REAL300019858616	1	54	-1.0	-53.53	429.08	9.65	-43.88
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858617	0	51	-1.0	-39.45	405.31	8.83	-30.62
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858617	1	51	-1.0	-39.46	405.34	8.82	-30.64
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858618	0	51	-1.0	-43.94	400.16	8.95	-34.99
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858618	1	51	-1.0	-43.93	400.25	8.95	-34.98
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019858619	0	54	-1.0	-48.52	438.03	9.90	-38.62
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019858619	1	54	-1.0	-48.51	438.09	9.92	-38.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Br)=CC(C=O)=C1	REAL300019858620	0	37	-1.0	-51.60	321.10	5.26	-46.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Br)=CC(C=O)=C1	REAL300019858620	1	37	-1.0	-51.60	321.16	5.27	-46.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019858621	0	42	-1.0	-45.96	341.54	0.98	-44.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019858621	1	42	-1.0	-45.97	341.48	0.97	-45.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]1(C2=CC=CC=C2)C[C@H](O)C1	REAL300019858622	0	46	-1.0	-45.08	338.66	4.05	-41.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]1(C2=CC=CC=C2)C[C@H](O)C1	REAL300019858622	1	46	-1.0	-45.08	338.65	4.06	-41.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1	REAL300019858623	0	51	-1.0	-45.51	414.92	3.64	-41.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1	REAL300019858623	1	51	-1.0	-45.51	414.97	3.65	-41.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)F)N=C2CCCCN21	REAL300019858624	0	45	-1.0	-49.05	361.29	6.66	-42.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)F)N=C2CCCCN21	REAL300019858624	1	45	-1.0	-49.05	361.34	6.68	-42.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2SC=CC2=C1	REAL300019858625	0	37	-1.0	-41.09	312.44	4.58	-36.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2SC=CC2=C1	REAL300019858625	1	37	-1.0	-41.07	312.38	4.59	-36.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(F)(F)C(F)(F)F	REAL300019858626	0	34	-1.0	-44.08	297.50	4.53	-39.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(F)(F)C(F)(F)F	REAL300019858626	1	34	-1.0	-44.07	297.56	4.55	-39.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(Cl)N=CC=C2O1	REAL300019858627	0	37	-1.0	-43.40	326.55	4.91	-38.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(Cl)N=CC=C2O1	REAL300019858627	1	37	-1.0	-43.38	326.49	4.90	-38.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCNC(=O)C1=CC2=CC=CC=C2N1	REAL300019858628	0	49	-1.0	-53.18	400.78	4.70	-48.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCNC(=O)C1=CC2=CC=CC=C2N1	REAL300019858628	1	49	-1.0	-53.16	400.84	4.71	-48.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C(F)(F)F)=N1	REAL300019858629	0	34	-1.0	-40.16	302.92	2.71	-37.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C(F)(F)F)=N1	REAL300019858629	1	34	-1.0	-40.12	302.86	2.69	-37.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN2C=C(Br)C=NC2=C1	REAL300019858630	0	37	-1.0	-41.52	330.21	5.72	-35.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN2C=C(Br)C=NC2=C1	REAL300019858630	1	37	-1.0	-41.49	330.15	5.72	-35.77
COC1=CC=C(C=O)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858631	0	41	-1.0	-52.73	330.52	5.24	-47.49
COC1=CC=C(C=O)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858631	1	41	-1.0	-52.72	330.55	5.24	-47.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C(C=O)=C1	REAL300019858632	0	37	-1.0	-44.78	306.56	4.80	-39.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C(C=O)=C1	REAL300019858632	1	37	-1.0	-44.78	306.62	4.82	-39.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSN=C1Cl	REAL300019858633	0	31	-1.0	-41.31	286.02	3.34	-37.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSN=C1Cl	REAL300019858633	1	31	-1.0	-41.29	285.98	3.34	-37.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CN(S(C)(=O)=O)C1	REAL300019858634	0	40	-1.0	-46.15	336.20	0.58	-45.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CN(S(C)(=O)=O)C1	REAL300019858634	1	40	-1.0	-46.14	336.25	0.59	-45.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC1(C)C1=CC=CC(Br)=C1	REAL300019858635	0	45	-1.0	-46.85	375.81	8.47	-38.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC1(C)C1=CC=CC(Br)=C1	REAL300019858635	1	45	-1.0	-46.84	375.87	8.49	-38.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300019858636	0	48	-1.0	-46.18	391.56	8.17	-38.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300019858636	1	48	-1.0	-46.16	391.51	8.16	-38.00
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858637	0	47	-1.0	-40.19	394.20	4.97	-35.22
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CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1CCOCC1	REAL300019858638	0	46	-1.0	-47.49	347.57	5.20	-42.29
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=C(Cl)S1	REAL300019858656	0	36	-1.0	-43.19	328.54	6.58	-36.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=C(Cl)S1	REAL300019858656	1	36	-1.0	-43.22	328.60	6.60	-36.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=CC=C1OC(F)(F)F	REAL300019858657	0	43	-1.0	-48.30	362.23	6.51	-41.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=CC=C1OC(F)(F)F	REAL300019858657	1	43	-1.0	-48.32	362.29	6.52	-41.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2CCOCC2)C=C1	REAL300019858658	0	46	-1.0	-48.08	361.76	4.72	-43.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2CCOCC2)C=C1	REAL300019858658	1	46	-1.0	-48.09	361.70	4.70	-43.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	REAL300019858659	0	48	-1.0	-50.28	352.30	6.17	-44.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	REAL300019858659	1	48	-1.0	-50.26	352.35	6.19	-44.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C2CC3=C(Br)C=CC=C3C21	REAL300019858660	0	43	-1.0	-43.56	366.46	8.80	-34.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C2CC3=C(Br)C=CC=C3C21	REAL300019858660	1	43	-1.0	-43.56	366.51	8.82	-34.74
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C(C2=CC=CC=C2)O1	REAL300019858661	0	45	-1.0	-40.96	353.86	8.07	-32.89
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CNC(=O)C2=CC=CC=C21	REAL300019858662	0	43	-1.0	-41.76	345.86	3.81	-37.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CNC(=O)C2=CC=CC=C21	REAL300019858662	1	43	-1.0	-41.75	345.93	3.82	-37.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCC(F)(F)CC1	REAL300019858663	0	44	-1.0	-42.55	341.51	6.72	-35.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCC(F)(F)CC1	REAL300019858663	1	44	-1.0	-42.56	341.57	6.73	-35.83
CC1=CN(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1C(F)(F)F	REAL300019858664	0	41	-1.0	-55.27	352.39	5.31	-49.96
CC1=CN(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1C(F)(F)F	REAL300019858664	1	41	-1.0	-55.23	352.33	5.29	-49.94
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019858665	0	45	-1.0	-46.85	351.78	7.93	-38.92
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019858665	1	45	-1.0	-46.85	351.83	7.94	-38.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)F)N=CO1	REAL300019858666	0	34	-1.0	-48.24	292.37	1.41	-46.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)F)N=CO1	REAL300019858666	1	34	-1.0	-48.25	292.43	1.43	-46.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C#CCO)=C1	REAL300019858667	0	41	-1.0	-54.69	339.26	3.81	-50.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C#CCO)=C1	REAL300019858667	1	41	-1.0	-54.69	339.32	3.82	-50.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C	REAL300019858668	0	49	-1.0	-42.78	383.03	-0.01	-42.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C	REAL300019858668	1	49	-1.0	-42.76	383.10	0.00	-42.76
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COC1=CC(CO)=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858670	0	43	-1.0	-43.82	335.79	2.45	-41.37
COC1=CC(CO)=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858670	1	43	-1.0	-43.86	335.85	2.45	-41.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCN(CC(F)F)CC1	REAL300019858671	0	49	-1.0	-48.55	368.23	4.64	-43.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCN(CC(F)F)CC1	REAL300019858671	1	49	-1.0	-48.47	368.30	4.66	-43.81
COC1=CC(OC)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1C=O	REAL300019858672	0	45	-1.0	-41.98	357.87	5.80	-36.18
COC1=CC(OC)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1C=O	REAL300019858672	1	45	-1.0	-42.01	357.94	5.80	-36.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCN1C=NC2=C(N)N=CN=C21	REAL300019858673	0	47	-1.0	-52.78	385.60	6.49	-46.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCN1C=NC2=C(N)N=CN=C21	REAL300019858673	1	47	-1.0	-52.76	385.54	6.47	-46.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCCN1C=NC2=C(N)N=CN=C21	REAL300019858674	0	50	-1.0	-51.08	405.28	7.19	-43.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCCN1C=NC2=C(N)N=CN=C21	REAL300019858674	1	50	-1.0	-51.08	405.34	7.21	-43.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300019858675	0	50	0.0	-52.29	333.03	5.91	-46.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(O)COCC1=CC=CC=C1	REAL300019858676	0	49	-1.0	-51.57	397.33	4.99	-46.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(O)COCC1=CC=CC=C1	REAL300019858676	1	49	-1.0	-51.59	397.39	5.00	-46.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300019858677	0	46	-1.0	-51.63	370.47	6.35	-45.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300019858677	1	46	-1.0	-51.64	370.52	6.36	-45.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1	REAL300019858678	0	55	-1.0	-46.68	409.07	6.39	-40.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1	REAL300019858678	1	55	-1.0	-46.74	409.13	6.40	-40.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL300019858679	0	41	-1.0	-49.28	345.59	8.18	-41.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL300019858679	1	41	-1.0	-49.27	345.53	8.19	-41.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(N=S(C)(C)=O)=C1	REAL300019858680	0	45	-1.0	-55.97	360.87	3.53	-52.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(N=S(C)(C)=O)=C1	REAL300019858680	1	45	-1.0	-55.99	360.90	3.53	-52.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2CC(C)CCC2=N1	REAL300019858681	0	45	-1.0	-48.53	351.63	7.20	-41.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2CC(C)CCC2=N1	REAL300019858681	1	45	-1.0	-48.56	351.69	7.21	-41.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1C1=CC=NC=C1	REAL300019858682	0	44	-1.0	-46.64	358.55	7.30	-39.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1C1=CC=NC=C1	REAL300019858682	1	44	-1.0	-46.65	358.50	7.28	-39.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300019858683	0	49	-1.0	-47.24	391.55	10.06	-37.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300019858683	1	49	-1.0	-47.26	391.61	10.07	-37.19
CC1=NC=C(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL300019858684	0	38	-1.0	-45.44	328.56	4.85	-40.59
CC1=NC=C(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL300019858684	1	38	-1.0	-45.46	328.62	4.87	-40.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(N2CCCC2=O)=C1	REAL300019858685	0	45	-1.0	-59.54	353.46	4.27	-55.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(N2CCCC2=O)=C1	REAL300019858685	1	45	-1.0	-59.53	353.40	4.26	-55.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC2=CC=NN21	REAL300019858686	0	37	-1.0	-44.76	305.34	3.91	-40.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC2=CC=NN21	REAL300019858686	1	37	-1.0	-44.80	305.28	3.88	-40.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(C(N)=O)N=C1	REAL300019858687	0	41	-1.0	-46.75	340.63	1.31	-45.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(C(N)=O)N=C1	REAL300019858687	1	41	-1.0	-46.72	340.58	1.30	-45.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC2=CC=NN2C=C1	REAL300019858688	0	37	-1.0	-42.06	306.48	5.93	-36.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC2=CC=NN2C=C1	REAL300019858688	1	37	-1.0	-42.00	306.42	5.92	-36.08
CC1=C(C)C(=O)N(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)C1=O	REAL300019858689	0	45	-1.0	-48.95	373.46	4.94	-44.01
CC1=C(C)C(=O)N(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C1=O	REAL300019858689	1	45	-1.0	-48.96	373.51	4.95	-44.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2CSCC(C1)C2=O	REAL300019858690	0	45	-1.0	-39.55	341.48	5.84	-33.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2CSCC(C1)C2=O	REAL300019858690	1	45	-1.0	-39.52	341.52	5.85	-33.67
CCOC(=O)C1CCCN(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL300019858691	0	52	-1.0	-44.24	398.73	5.03	-39.21
CCOC(=O)C1CCCN(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL300019858691	1	52	-1.0	-44.24	398.79	5.04	-39.20
CCOC(=O)C1CCC[N@H+](CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL300019858691	1	53	0.0	-52.07	402.56	7.40	-44.67
CCOC(=O)C1CCC[N@@H+](CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL300019858691	1	53	0.0	-60.46	398.39	7.56	-52.90
CCC(C)C(C(=O)N(CC1=N[N-]N=N1)CC(C)C)N1C=CC=C1C=O	REAL300019858692	0	50	-1.0	-45.13	370.29	7.12	-38.01
CCC(C)C(C(=O)N(CC1=NN=N[N-]1)CC(C)C)N1C=CC=C1C=O	REAL300019858692	1	50	-1.0	-45.14	370.35	7.13	-38.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300019858693	0	55	0.0	-55.31	393.65	6.28	-49.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300019858693	1	55	0.0	-55.31	393.68	6.29	-49.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(N2CCOCC2)CC1	REAL300019858693	1	54	-1.0	-38.15	382.02	3.93	-34.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(N2CCOCC2)CC1	REAL300019858693	1	54	-1.0	-38.20	382.06	3.93	-34.27
CC1=NNC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1C(F)(F)F	REAL300019858694	0	38	-1.0	-43.83	323.96	3.58	-40.25
CC1=NNC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1C(F)(F)F	REAL300019858694	1	38	-1.0	-43.88	324.01	3.59	-40.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=C(C=O)C=C1	REAL300019858695	0	41	-1.0	-49.28	340.52	6.37	-42.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=C(C=O)C=C1	REAL300019858695	1	41	-1.0	-49.33	340.58	6.38	-42.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=C(C=O)C=C1F	REAL300019858696	0	37	-1.0	-37.04	313.47	5.01	-32.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=C(C=O)C=C1F	REAL300019858696	1	37	-1.0	-37.05	313.54	5.02	-32.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2OCCN(C)C2=C1	REAL300019858697	0	45	-1.0	-48.20	343.86	3.60	-44.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2OCCN(C)C2=C1	REAL300019858697	1	45	-1.0	-48.17	343.92	3.61	-44.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2CCC(C)CC2=N1	REAL300019858698	0	45	-1.0	-48.61	351.63	7.22	-41.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2CCC(C)CC2=N1	REAL300019858698	1	45	-1.0	-48.63	351.69	7.24	-41.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C[NH+]1CCOCC1	REAL300019858699	0	51	0.0	-50.79	350.09	4.76	-46.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C[NH+]1CCOCC1	REAL300019858699	1	51	0.0	-50.81	350.04	4.75	-46.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)CN1CCOCC1	REAL300019858699	1	50	-1.0	-37.30	358.20	3.15	-34.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)CN1CCOCC1	REAL300019858699	1	50	-1.0	-37.29	358.15	3.16	-34.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300019858700	0	49	0.0	-50.01	348.50	4.09	-45.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300019858700	1	49	0.0	-44.09	352.25	3.53	-40.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300019858700	1	49	0.0	-49.99	348.45	4.09	-45.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300019858700	1	49	0.0	-44.05	352.19	3.52	-40.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CF)CCN(C(=O)OC(C)(C)C)CC1	REAL300019861202	0	58	-1.0	-48.82	416.68	6.22	-42.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CF)CCN(C(=O)OC(C)(C)C)CC1	REAL300019861202	1	58	-1.0	-48.83	416.74	6.24	-42.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)C=C1NC(=O)OC(C)(C)C	REAL300019861203	0	52	-1.0	-42.57	407.63	4.51	-38.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C=C1NC(=O)OC(C)(C)C	REAL300019861203	1	52	-1.0	-42.56	407.69	4.52	-38.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300019861204	0	38	-1.0	-44.38	331.32	6.71	-37.67
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300019861204	1	38	-1.0	-44.42	331.38	6.73	-37.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019861205	0	42	-1.0	-46.87	343.44	7.08	-39.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019861205	1	42	-1.0	-46.86	343.50	7.09	-39.77
CC(=O)C1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CS1	REAL300019861206	0	36	-1.0	-49.87	311.62	4.16	-45.71
CC(=O)C1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CS1	REAL300019861206	1	36	-1.0	-49.87	311.67	4.17	-45.70
COC1=NN(C)C(Br)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861207	0	39	-1.0	-45.59	344.45	1.75	-43.84
COC1=NN(C)C(Br)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861207	1	39	-1.0	-45.62	344.39	1.73	-43.89
CC(=O)NC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(F)=C1	REAL300019861208	0	42	-1.0	-44.13	336.55	3.87	-40.26
CC(=O)NC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(F)=C1	REAL300019861208	1	42	-1.0	-44.16	336.59	3.87	-40.29
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL300019861209	0	59	-1.0	-46.39	439.85	5.02	-41.37
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL300019861209	1	59	-1.0	-46.39	439.91	5.03	-41.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC(C(F)(F)F)=CO1	REAL300019861210	0	38	-1.0	-46.06	332.19	5.51	-40.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC(C(F)(F)F)=CO1	REAL300019861210	1	38	-1.0	-46.04	332.24	5.53	-40.51
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1	REAL300019861211	0	48	-1.0	-63.90	391.70	4.55	-59.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1	REAL300019861211	1	48	-1.0	-63.93	391.76	4.56	-59.37
CC1=C2C=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)SC2=C(C)S1	REAL300019861212	0	41	-1.0	-46.26	346.15	6.79	-39.47
CC1=C2C=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)SC2=C(C)S1	REAL300019861212	1	41	-1.0	-46.25	346.21	6.80	-39.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC2=NN=CN21	REAL300019861213	0	41	-1.0	-47.93	322.19	5.98	-41.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC2=NN=CN21	REAL300019861213	1	41	-1.0	-47.92	322.25	5.99	-41.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCC(C)(C)O1	REAL300019861214	0	48	-1.0	-46.38	358.68	6.25	-40.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCC(C)(C)O1	REAL300019861214	1	48	-1.0	-46.38	358.74	6.26	-40.12
COC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C1=CC=CN=C1	REAL300019861215	0	41	-1.0	-51.29	332.66	4.38	-46.91
COC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C1=CC=CN=C1	REAL300019861215	1	41	-1.0	-51.31	332.60	4.36	-46.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1N(C(=O)OC(C)(C)C)CCC12CCC2	REAL300019861216	0	59	-1.0	-53.33	432.48	7.37	-45.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1N(C(=O)OC(C)(C)C)CCC12CCC2	REAL300019861216	1	59	-1.0	-53.36	432.54	7.38	-45.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300019861217	0	58	-1.0	-56.93	422.36	5.35	-51.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300019861217	1	58	-1.0	-56.91	422.42	5.36	-51.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300019861218	0	38	-1.0	-42.68	354.77	7.67	-35.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300019861218	1	38	-1.0	-42.71	354.82	7.69	-35.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O	REAL300019861219	0	47	-1.0	-56.00	353.62	2.46	-53.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O	REAL300019861219	1	47	-1.0	-56.07	353.68	2.48	-53.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=CC2=CC(F)=CC=C21	REAL300019861220	0	42	-1.0	-45.76	350.21	7.80	-37.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=CC2=CC(F)=CC=C21	REAL300019861220	1	42	-1.0	-45.77	350.27	7.82	-37.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C	REAL300019861221	0	51	-1.0	-54.42	398.29	8.04	-46.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C3=C(C=C(F)C=C3C1=O)CCC2C	REAL300019861221	1	51	-1.0	-54.39	398.35	8.05	-46.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O	REAL300019861222	0	49	-1.0	-48.78	389.24	6.47	-42.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O	REAL300019861222	1	49	-1.0	-48.76	389.28	6.49	-42.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(CCCC2=O)OC1=O	REAL300019861223	0	43	-1.0	-52.03	351.16	6.17	-45.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(CCCC2=O)OC1=O	REAL300019861223	1	43	-1.0	-52.06	350.92	6.18	-45.88
COC1=CC2=NC=CC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=C2C=C1	REAL300019861224	0	44	-1.0	-43.41	358.16	5.11	-38.30
COC1=CC2=NC=CC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=C2C=C1	REAL300019861224	1	44	-1.0	-43.36	358.10	5.09	-38.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NC2=C1CCC2	REAL300019861225	0	41	-1.0	-43.81	328.44	5.55	-38.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NC2=C1CCC2	REAL300019861225	1	41	-1.0	-43.82	328.50	5.57	-38.25
CCSC1CCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL300019861226	0	48	-1.0	-45.74	352.31	7.55	-38.19
CCSC1CCC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL300019861226	1	48	-1.0	-45.71	352.37	7.57	-38.14
CC1=CC(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC(C)=N1	REAL300019861227	0	46	-1.0	-44.47	367.06	6.46	-38.01
CC1=CC(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC(C)=N1	REAL300019861227	1	46	-1.0	-44.45	367.11	6.48	-37.97
CC1=CC2=CC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C2C=C1	REAL300019861228	0	44	-1.0	-47.90	348.42	7.94	-39.96
CC1=CC2=CC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C2C=C1	REAL300019861228	1	44	-1.0	-47.90	348.48	7.95	-39.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C	REAL300019861229	0	58	-1.0	-49.00	433.09	6.77	-42.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C	REAL300019861229	1	58	-1.0	-48.99	433.15	6.78	-42.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=CC(=O)N1	REAL300019861230	0	41	-1.0	-49.43	336.59	3.90	-45.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=CC(=O)N1	REAL300019861230	1	41	-1.0	-49.42	336.65	3.92	-45.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CSC(Cl)=C1Cl	REAL300019861231	0	32	-1.0	-47.08	299.63	5.07	-42.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CSC(Cl)=C1Cl	REAL300019861231	1	32	-1.0	-47.06	299.69	5.09	-41.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019861232	0	47	-1.0	-45.83	366.98	4.46	-41.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019861232	1	47	-1.0	-45.85	367.06	4.47	-41.38
CC1=NN(C2CCC2)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861233	0	45	-1.0	-44.24	355.97	5.57	-38.67
CC1=NN(C2CCC2)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861233	1	45	-1.0	-44.27	356.03	5.58	-38.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019861234	0	42	-1.0	-45.67	344.67	6.31	-39.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019861234	1	42	-1.0	-45.64	344.62	6.29	-39.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CNC=C1Br	REAL300019861235	0	33	-1.0	-47.38	296.04	3.98	-43.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CNC=C1Br	REAL300019861235	1	33	-1.0	-47.41	296.10	4.00	-43.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCNC(=O)C1=CC=CC(Cl)=C1	REAL300019861236	0	45	-1.0	-55.27	380.76	5.16	-50.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCNC(=O)C1=CC=CC(Cl)=C1	REAL300019861236	1	45	-1.0	-55.29	380.82	5.18	-50.11
CCC1=C(C)SC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861237	0	41	-1.0	-47.18	326.13	6.08	-41.10
CCC1=C(C)SC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861237	1	41	-1.0	-47.22	326.19	6.09	-41.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(OC(F)(F)F)C1	REAL300019861238	0	39	-1.0	-46.23	327.97	4.07	-42.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(OC(F)(F)F)C1	REAL300019861238	1	39	-1.0	-46.23	328.03	4.08	-42.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(S(C)(=O)=O)=CO1	REAL300019861239	0	38	-1.0	-44.06	325.18	1.46	-42.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(S(C)(=O)=O)=CO1	REAL300019861239	1	38	-1.0	-44.06	325.24	1.46	-42.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C2COCCC2=C1	REAL300019861240	0	46	-1.0	-46.85	364.28	6.39	-40.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C2COCCC2=C1	REAL300019861240	1	46	-1.0	-46.89	364.33	6.41	-40.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C2CCOCC2=C1	REAL300019861241	0	46	-1.0	-47.33	364.27	6.39	-40.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C2CCOCC2=C1	REAL300019861241	1	46	-1.0	-47.31	364.33	6.41	-40.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300019861242	0	44	-1.0	-43.39	356.46	6.63	-36.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300019861242	1	44	-1.0	-43.43	356.40	6.62	-36.81
CC1=NC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1Br	REAL300019861243	0	37	-1.0	-38.40	318.42	6.32	-32.08
CC1=NC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1Br	REAL300019861243	1	37	-1.0	-38.42	318.48	6.33	-32.09
COC1=CC(Br)=CN=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861244	0	38	-1.0	-47.14	328.21	6.11	-41.03
COC1=CC(Br)=CN=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861244	1	38	-1.0	-47.14	328.15	6.10	-41.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019861245	0	44	-1.0	-48.08	363.63	2.85	-45.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019861245	1	44	-1.0	-48.11	363.67	2.86	-45.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2SCCC(=O)C2=C1	REAL300019861246	0	42	-1.0	-54.33	345.22	6.30	-48.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2SCCC(=O)C2=C1	REAL300019861246	1	42	-1.0	-54.33	345.28	6.31	-48.02
CCC1=CC=C(N2C=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)N=N2)C=C1	REAL300019861247	0	47	-1.0	-44.24	383.73	7.24	-37.00
CCC1=CC=C(N2C=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)N=N2)C=C1	REAL300019861247	1	47	-1.0	-44.28	383.67	7.22	-37.06
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019861248	0	50	-1.0	-49.10	407.57	4.44	-44.66
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019861248	1	50	-1.0	-49.08	407.63	4.45	-44.63
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019861249	0	50	-1.0	-40.15	408.07	4.64	-35.51
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019861249	1	50	-1.0	-40.09	408.14	4.65	-35.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019861250	0	40	-2.0	-77.25	344.41	3.84	-73.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019861250	1	40	-2.0	-77.23	344.44	3.85	-73.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300019861251	0	45	-1.0	-49.16	380.12	8.20	-40.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300019861251	1	45	-1.0	-49.14	380.06	8.18	-40.96
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CN(C)C1=O	REAL300019861252	0	41	-1.0	-44.04	322.73	4.47	-39.57
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CN(C)C1=O	REAL300019861252	1	41	-1.0	-44.10	322.78	4.48	-39.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCC(F)(F)C1	REAL300019861253	0	44	-1.0	-49.02	337.98	6.63	-42.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCC(F)(F)C1	REAL300019861253	1	44	-1.0	-49.02	338.03	6.65	-42.37
CC(C)CC(CCC1=CC=CC=C1)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861254	0	56	-1.0	-47.17	413.55	10.08	-37.09
CC(C)CC(CCC1=CC=CC=C1)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861254	1	56	-1.0	-47.19	413.61	10.11	-37.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(C(F)F)C1	REAL300019861255	0	41	-1.0	-43.76	330.11	6.22	-37.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(C(F)F)C1	REAL300019861255	1	41	-1.0	-43.79	330.16	6.24	-37.55
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861256	0	46	-1.0	-40.68	374.10	7.15	-33.53
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861256	1	46	-1.0	-40.72	374.15	7.17	-33.55
CC1=NN=NN1C1=CC(F)=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019861257	0	43	-1.0	-43.21	354.10	5.06	-38.15
CC1=NN=NN1C1=CC(F)=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019861257	1	43	-1.0	-43.20	354.16	5.08	-38.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C	REAL300019861258	0	50	-1.0	-56.82	377.28	7.42	-49.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C	REAL300019861258	1	50	-1.0	-56.85	377.34	7.44	-49.41
CC1=CC(Cl)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL300019861259	0	35	-1.0	-37.13	300.71	5.74	-31.39
CC1=CC(Cl)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL300019861259	1	35	-1.0	-37.15	300.77	5.74	-31.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CN=CC(Br)=C2S1	REAL300019861260	0	37	-1.0	-37.54	327.76	5.68	-31.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CN=CC(Br)=C2S1	REAL300019861260	1	37	-1.0	-37.50	327.71	5.68	-31.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(=O)N(C2CC2)C1	REAL300019861261	0	46	-1.0	-39.19	351.32	5.17	-34.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(=O)N(C2CC2)C1	REAL300019861261	1	46	-1.0	-39.21	351.37	5.20	-34.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C(N2CCOCC2)C=C1	REAL300019861262	0	51	-1.0	-46.55	393.72	5.17	-41.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C(N2CCOCC2)C=C1	REAL300019861262	1	51	-1.0	-46.53	393.78	5.18	-41.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300019861263	0	48	-1.0	-47.85	383.27	6.78	-41.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300019861263	1	48	-1.0	-47.83	383.33	6.79	-41.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300019861264	0	42	-1.0	-46.27	354.64	7.94	-38.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300019861264	1	42	-1.0	-46.28	354.70	7.95	-38.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=NC=C1C#N	REAL300019861265	0	35	-1.0	-35.04	309.48	4.14	-30.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=NC=C1C#N	REAL300019861265	1	35	-1.0	-35.04	309.42	4.13	-30.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=C1C(=O)NC2	REAL300019861266	0	40	-1.0	-60.57	328.74	3.69	-56.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=C1C(=O)NC2	REAL300019861266	1	40	-1.0	-60.60	328.79	3.71	-56.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(=O)N(CC(F)(F)F)C1	REAL300019861267	0	45	-1.0	-46.40	362.06	4.98	-41.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(=O)N(CC(F)(F)F)C1	REAL300019861267	1	45	-1.0	-46.36	362.12	5.01	-41.35
CCC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1Cl	REAL300019861268	0	41	-1.0	-39.11	337.11	7.05	-32.06
CCC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1Cl	REAL300019861268	1	41	-1.0	-39.11	337.12	7.05	-32.06
CC1=CN=C(N2CCOCC2)N=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861269	0	49	-1.0	-43.95	383.06	4.93	-39.02
CC1=CN=C(N2CCOCC2)N=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861269	1	49	-1.0	-43.90	383.04	4.92	-38.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(CC2CC2)C=C1	REAL300019861270	0	45	-1.0	-46.62	355.28	8.03	-38.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(CC2CC2)C=C1	REAL300019861270	1	45	-1.0	-46.66	355.34	8.04	-38.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NSC2=CC(Br)=CC=C21	REAL300019861271	0	37	-1.0	-42.11	335.51	6.81	-35.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NSC2=CC(Br)=CC=C21	REAL300019861271	1	37	-1.0	-42.13	335.45	6.80	-35.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Br)=C2OC=CC2=C1	REAL300019861272	0	38	-1.0	-39.26	328.15	6.19	-33.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Br)=C2OC=CC2=C1	REAL300019861272	1	38	-1.0	-39.30	328.21	6.20	-33.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)C2=NC=CC=C2S1	REAL300019861273	0	37	-1.0	-41.62	320.20	5.48	-36.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)C2=NC=CC=C2S1	REAL300019861273	1	37	-1.0	-41.61	320.15	5.48	-36.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=C(C#N)C=C1F	REAL300019861274	0	42	-1.0	-47.66	358.25	7.52	-40.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=C(C#N)C=C1F	REAL300019861274	1	42	-1.0	-47.68	358.30	7.54	-40.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(C=C1F)OCC(=O)N2	REAL300019861275	0	41	-1.0	-39.80	335.43	2.46	-37.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(C=C1F)OCC(=O)N2	REAL300019861275	1	41	-1.0	-39.83	335.50	2.46	-37.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2CCCCC2=C1	REAL300019861276	0	44	-1.0	-40.86	339.02	5.83	-35.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2CCCCC2=C1	REAL300019861276	1	44	-1.0	-40.88	339.02	5.84	-35.04
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861277	0	43	-1.0	-43.45	349.32	7.32	-36.13
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861277	1	43	-1.0	-43.41	349.38	7.33	-36.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC1C1=CC=CC=C1Cl	REAL300019861278	0	45	-1.0	-38.59	349.12	8.28	-30.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC1C1=CC=CC=C1Cl	REAL300019861278	1	45	-1.0	-38.61	349.17	8.29	-30.32
COCCN1C=CC2=CC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CC=C21	REAL300019861279	0	49	-1.0	-42.44	389.57	6.91	-35.53
COCCN1C=CC2=CC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CC=C21	REAL300019861279	1	49	-1.0	-42.46	389.60	6.92	-35.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(=C1)C=CN2C(C)C	REAL300019861280	0	48	-1.0	-42.03	373.93	8.32	-33.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(=C1)C=CN2C(C)C	REAL300019861280	1	48	-1.0	-42.01	373.96	8.34	-33.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=C2OCOC2=C1	REAL300019861281	0	42	-1.0	-46.95	347.37	5.54	-41.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=C2OCOC2=C1	REAL300019861281	1	42	-1.0	-46.95	347.43	5.56	-41.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(Br)C=NC=C2C=C1	REAL300019861282	0	40	-1.0	-50.47	338.53	6.03	-44.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(Br)C=NC=C2C=C1	REAL300019861282	1	40	-1.0	-50.50	338.47	6.01	-44.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=NN=CN21	REAL300019861283	0	37	-1.0	-44.28	309.80	6.43	-37.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=NN=CN21	REAL300019861283	1	37	-1.0	-44.26	309.74	6.43	-37.83
C=CCOCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C(C)(C)C	REAL300019861284	0	51	-1.0	-40.92	381.08	6.42	-34.50
C=CCOCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C(C)(C)C	REAL300019861284	1	51	-1.0	-40.92	381.13	6.42	-34.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2(C)CCCN2S1(=O)=O	REAL300019861285	0	47	-1.0	-47.98	350.85	2.57	-45.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2(C)CCCN2S1(=O)=O	REAL300019861285	1	47	-1.0	-48.05	350.91	2.59	-45.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)F)C=NN1C	REAL300019861286	0	38	-1.0	-45.36	310.31	3.60	-41.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)F)C=NN1C	REAL300019861286	1	38	-1.0	-45.39	310.26	3.59	-41.80
CC1=NN(C2CCC2)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019861287	0	45	-1.0	-44.39	346.89	5.79	-38.60
CC1=NN(C2CCC2)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019861287	1	45	-1.0	-44.37	346.95	5.81	-38.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN1CCC(F)(F)F	REAL300019861288	0	41	-1.0	-43.53	337.59	4.92	-38.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN1CCC(F)(F)F	REAL300019861288	1	41	-1.0	-43.57	337.53	4.91	-38.66
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861289	0	46	-1.0	-47.18	374.29	7.18	-40.00
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861289	1	46	-1.0	-47.18	374.35	7.20	-39.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1OCCCC1(C)C	REAL300019861290	0	48	-1.0	-45.53	352.46	6.08	-39.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1OCCCC1(C)C	REAL300019861290	1	48	-1.0	-45.52	352.52	6.09	-39.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1	REAL300019861291	0	41	-1.0	-41.16	356.89	4.51	-36.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1	REAL300019861291	1	41	-1.0	-41.16	356.94	4.52	-36.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=C(Cl)C=C1F	REAL300019861292	0	39	-1.0	-46.30	343.56	7.42	-38.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=C(Cl)C=C1F	REAL300019861292	1	39	-1.0	-46.30	343.62	7.44	-38.86
CC(=O)NC(COC(C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861293	0	48	-1.0	-49.67	372.75	3.47	-46.20
CC(=O)NC(COC(C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861293	1	48	-1.0	-49.65	372.81	3.49	-46.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1COC(C)(C)O1	REAL300019861294	0	46	-1.0	-42.35	360.10	4.44	-37.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1COC(C)(C)O1	REAL300019861294	1	46	-1.0	-42.34	360.15	4.45	-37.89
CCCCOC1=CC=C(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019861295	0	52	-1.0	-45.54	415.60	8.68	-36.86
CCCCOC1=CC=C(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019861295	1	52	-1.0	-45.56	415.66	8.70	-36.86
COC1=CC2=CC=C(CC(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C2C=C1	REAL300019861296	0	48	-1.0	-48.26	386.02	7.86	-40.40
COC1=CC2=CC=C(CC(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C2C=C1	REAL300019861296	1	48	-1.0	-48.25	386.08	7.87	-40.38
CC(C)CC(CC1=CC=CC=C1)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861297	0	53	-1.0	-42.62	389.33	9.00	-33.62
CC(C)CC(CC1=CC=CC=C1)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861297	1	53	-1.0	-42.62	389.39	9.01	-33.61
COC1=CC=C(Br)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1C	REAL300019861298	0	42	-1.0	-46.41	341.97	5.84	-40.57
COC1=CC=C(Br)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1C	REAL300019861298	1	42	-1.0	-46.39	342.02	5.85	-40.54
COC1=NC=C(Cl)C(C)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861299	0	41	-1.0	-44.06	347.38	3.24	-40.82
COC1=NC=C(Cl)C(C)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861299	1	41	-1.0	-44.08	347.44	3.25	-40.83
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861300	0	45	-1.0	-67.18	366.70	4.89	-62.29
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861300	1	45	-1.0	-67.19	366.75	4.91	-62.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC(C)(CC1)CO2	REAL300019861301	0	46	-1.0	-44.15	336.71	5.62	-38.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC(C)(CC1)CO2	REAL300019861301	1	46	-1.0	-44.14	336.77	5.64	-38.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=C(Br)C(F)=C1	REAL300019861302	0	35	-1.0	-33.38	307.40	5.73	-27.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=C(Br)C(F)=C1	REAL300019861302	1	35	-1.0	-33.34	307.47	5.74	-27.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300019861303	0	41	-1.0	-45.41	345.71	6.17	-39.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300019861303	1	41	-1.0	-45.42	345.76	6.19	-39.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=C(F)C2=CC=CC=C21	REAL300019861304	0	40	-1.0	-38.19	337.32	6.12	-32.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=C(F)C2=CC=CC=C21	REAL300019861304	1	40	-1.0	-38.16	337.25	6.12	-32.04
COC(=O)C1=CC=C(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=N1	REAL300019861305	0	44	-1.0	-46.49	371.94	5.71	-40.78
COC(=O)C1=CC=C(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=N1	REAL300019861305	1	44	-1.0	-46.53	372.00	5.73	-40.80
CC1=C(C)NC(=O)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019861306	0	41	-1.0	-55.62	333.16	3.53	-52.09
CC1=C(C)NC(=O)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019861306	1	41	-1.0	-55.61	333.22	3.55	-52.06
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861307	0	44	-1.0	-37.27	368.52	8.01	-29.26
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861307	1	44	-1.0	-37.30	368.59	8.02	-29.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C)C1=CC=C(F)C(F)=C1	REAL300019861308	0	44	-1.0	-42.34	358.09	7.66	-34.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C)C1=CC=C(F)C(F)=C1	REAL300019861308	1	44	-1.0	-42.34	358.15	7.68	-34.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CN(C(C)(C)C)N=C1	REAL300019861309	0	47	-1.0	-49.56	373.37	6.13	-43.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CN(C(C)(C)C)N=C1	REAL300019861309	1	47	-1.0	-49.55	373.31	6.11	-43.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019861310	0	42	-1.0	-48.89	343.56	5.26	-43.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019861310	1	42	-1.0	-48.88	343.63	5.25	-43.63
CC1=CC=C(C2(C(=O)N(CC3=N[N-]N=N3)CC(C)C)CC2)C(F)=C1	REAL300019861311	0	45	-1.0	-38.19	368.39	8.17	-30.02
CC1=CC=C(C2(C(=O)N(CC3=NN=N[N-]3)CC(C)C)CC2)C(F)=C1	REAL300019861311	1	45	-1.0	-38.20	368.44	8.18	-30.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019861312	0	35	-2.0	-94.77	318.17	4.21	-90.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019861312	1	35	-2.0	-94.77	318.23	4.23	-90.54
CCCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=NN1CC	REAL300019861313	0	46	-1.0	-46.12	362.74	5.32	-40.80
CCCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=NN1CC	REAL300019861313	1	46	-1.0	-46.12	362.80	5.34	-40.78
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)SC(C2=NNC=N2)=N1	REAL300019861314	0	43	-1.0	-51.62	353.87	4.16	-47.46
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)SC(C2=NNC=N2)=N1	REAL300019861314	1	43	-1.0	-51.62	353.92	4.17	-47.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300019861315	0	54	-1.0	-45.89	415.30	7.48	-38.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300019861315	1	54	-1.0	-45.90	415.36	7.49	-38.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300019861316	0	44	-1.0	-40.42	373.22	6.90	-33.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300019861316	1	44	-1.0	-40.47	373.17	6.89	-33.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2NC=NC2=CC(Br)=C1	REAL300019861317	0	38	-1.0	-44.35	333.57	5.41	-38.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2NC=NC2=CC(Br)=C1	REAL300019861317	1	38	-1.0	-44.39	333.65	5.42	-38.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019861318	0	45	-1.0	-55.19	356.40	6.04	-49.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019861318	1	45	-1.0	-55.18	356.46	6.06	-49.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)CNC(=O)N(C)CC1=CC=CO1	REAL300019861319	0	47	-1.0	-46.57	380.90	3.87	-42.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)CNC(=O)N(C)CC1=CC=CO1	REAL300019861319	1	47	-1.0	-46.63	380.96	3.89	-42.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019861320	0	48	-1.0	-41.24	391.91	7.82	-33.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019861320	1	48	-1.0	-41.25	391.94	7.84	-33.41
CC1=NNC2=C1CC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)CC2	REAL300019861321	0	45	-1.0	-41.15	347.52	4.88	-36.27
CC1=NNC2=C1CC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)CC2	REAL300019861321	1	45	-1.0	-41.16	347.58	4.91	-36.25
CC1=C2CC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)CCC2=NN1	REAL300019861321	1	45	-1.0	-39.70	347.74	4.96	-34.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=C2NC(=O)CCC2=C1	REAL300019861322	0	46	-1.0	-47.73	368.65	5.42	-42.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=C2NC(=O)CCC2=C1	REAL300019861322	1	46	-1.0	-47.71	368.70	5.44	-42.27
CSC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC=C1[N+](=O)[O-]	REAL300019861323	0	41	-1.0	-42.70	342.53	6.54	-36.16
CSC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC=C1[N+](=O)[O-]	REAL300019861323	1	41	-1.0	-42.73	342.59	6.56	-36.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)OC1=C(F)C=CC=C1F	REAL300019861324	0	45	-1.0	-46.56	340.97	7.00	-39.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)OC1=C(F)C=CC=C1F	REAL300019861324	1	45	-1.0	-46.50	341.04	6.99	-39.51
C=C1CCC1(C(=O)OC)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861325	0	42	-1.0	-44.59	322.88	4.89	-39.70
C=C1CCC1(C(=O)OC)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861325	1	42	-1.0	-44.59	322.94	4.91	-39.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(S(N)(=O)=O)=CO1	REAL300019861326	0	37	-1.0	-42.39	318.58	-1.12	-43.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(S(N)(=O)=O)=CO1	REAL300019861326	1	37	-1.0	-42.38	318.64	-1.11	-43.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=C(C#N)C=CN2N=C1	REAL300019861327	0	39	-1.0	-48.57	335.96	5.38	-43.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=C(C#N)C=CN2N=C1	REAL300019861327	1	39	-1.0	-48.56	335.90	5.36	-43.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300019861328	0	41	-1.0	-46.28	356.38	7.53	-38.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300019861328	1	41	-1.0	-46.29	356.33	7.52	-38.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019861329	0	45	-1.0	-42.09	369.13	6.55	-35.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019861329	1	45	-1.0	-42.07	369.19	6.57	-35.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C)ONC(=O)OC(C)(C)C	REAL300019861330	0	49	-1.0	-44.32	382.64	4.57	-39.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C)ONC(=O)OC(C)(C)C	REAL300019861330	1	49	-1.0	-44.35	382.67	4.58	-39.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019861331	0	39	-1.0	-42.23	328.15	3.78	-38.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019861331	1	39	-1.0	-42.29	328.20	3.79	-38.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2N=NC=C2C=C1	REAL300019861332	0	37	-1.0	-36.03	303.00	3.71	-32.32
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2N=NC=C2C=C1	REAL300019861332	1	37	-1.0	-36.03	302.86	3.70	-32.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1	REAL300019861333	0	46	-1.0	-38.12	350.99	4.32	-33.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1	REAL300019861333	1	46	-1.0	-38.13	351.05	4.33	-33.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NNC2=C1C[C@@H](C)O[C@H]2C	REAL300019861333	1	46	-1.0	-48.75	360.26	4.01	-44.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NNC2=C1C[C@@H](C)O[C@H]2C	REAL300019861333	1	46	-1.0	-48.78	360.32	4.03	-44.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=C(Br)C=CS1	REAL300019861334	0	38	-1.0	-43.07	338.63	6.64	-36.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=C(Br)C=CS1	REAL300019861334	1	38	-1.0	-43.07	338.68	6.66	-36.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCNC1=CN=CN=C1	REAL300019861335	0	41	-1.0	-46.16	335.52	3.30	-42.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCNC1=CN=CN=C1	REAL300019861335	1	41	-1.0	-46.19	335.46	3.29	-42.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=C(Br)C=C2N=CNC2=C1	REAL300019861336	0	41	-1.0	-52.48	352.27	6.36	-46.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=C(Br)C=C2N=CNC2=C1	REAL300019861336	1	41	-1.0	-52.45	352.33	6.37	-46.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=C(Br)C=C2NC=NC2=C1	REAL300019861336	1	41	-1.0	-50.18	353.70	6.42	-43.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=C(Br)C=C2NC=NC2=C1	REAL300019861336	1	41	-1.0	-50.17	353.76	6.44	-43.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300019861337	0	56	-1.0	-40.88	418.69	8.68	-32.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300019861337	1	56	-1.0	-40.91	418.71	8.69	-32.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC(Cl)=CC=C1OC(C)C	REAL300019861338	0	44	-1.0	-49.93	363.52	7.22	-42.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC(Cl)=CC=C1OC(C)C	REAL300019861338	1	44	-1.0	-49.90	363.47	7.21	-42.69
C=CCOC1=CC=C(Cl)N=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861339	0	42	-1.0	-45.01	358.03	7.69	-37.32
C=CCOC1=CC=C(Cl)N=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861339	1	42	-1.0	-45.03	357.97	7.68	-37.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC(F)(F)CC1	REAL300019861340	0	44	-1.0	-38.94	329.58	6.57	-32.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC(F)(F)CC1	REAL300019861340	1	44	-1.0	-38.93	329.64	6.57	-32.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@@H](O)C1=CC=CC=C1	REAL300019861341	0	42	-1.0	-47.11	337.02	4.87	-42.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@@H](O)C1=CC=CC=C1	REAL300019861341	1	42	-1.0	-47.12	337.07	4.89	-42.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(C2=CC=CC=C2F)=NO1	REAL300019861342	0	43	-1.0	-40.18	350.63	7.34	-32.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(C2=CC=CC=C2F)=NO1	REAL300019861342	1	43	-1.0	-40.16	350.68	7.34	-32.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300019861343	0	42	-1.0	-48.13	340.25	7.24	-40.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300019861343	1	42	-1.0	-48.12	340.31	7.26	-40.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCCCC(=O)NC1=CC=CC=C1	REAL300019861344	0	54	-1.0	-55.37	427.23	7.63	-47.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCCCC(=O)NC1=CC=CC=C1	REAL300019861344	1	54	-1.0	-55.38	427.29	7.64	-47.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2=CC=NN2C1	REAL300019861345	0	42	-1.0	-46.24	328.66	4.73	-41.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2=CC=NN2C1	REAL300019861345	1	42	-1.0	-46.24	328.72	4.74	-41.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=NSC2=CC=C1	REAL300019861346	0	37	-1.0	-43.91	316.08	5.24	-38.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=NSC2=CC=C1	REAL300019861346	1	37	-1.0	-43.95	316.02	5.23	-38.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=NON=C21	REAL300019861347	0	36	-1.0	-47.61	302.50	4.00	-43.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=NON=C21	REAL300019861347	1	36	-1.0	-47.61	302.45	3.99	-43.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl	REAL300019861348	0	41	-1.0	-52.05	360.11	3.27	-48.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl	REAL300019861348	1	41	-1.0	-52.05	360.16	3.28	-48.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300019861349	0	41	-1.0	-33.69	345.79	6.81	-26.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300019861349	1	41	-1.0	-33.70	345.85	6.83	-26.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=C(Br)C(F)=C1N	REAL300019861350	0	37	-1.0	-38.58	328.60	3.95	-34.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=C(Br)C(F)=C1N	REAL300019861350	1	37	-1.0	-38.56	328.61	3.97	-34.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(C2CC2)=NO1	REAL300019861351	0	43	-1.0	-42.40	336.23	5.50	-36.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(C2CC2)=NO1	REAL300019861351	1	43	-1.0	-42.41	336.29	5.52	-36.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1	REAL300019861352	0	51	-1.0	-44.97	406.58	3.85	-41.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1	REAL300019861352	1	51	-1.0	-44.89	406.63	3.86	-41.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC(C2CC2)=NC=C1Cl	REAL300019861353	0	40	-1.0	-39.76	334.62	7.13	-32.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC(C2CC2)=NC=C1Cl	REAL300019861353	1	40	-1.0	-39.73	334.69	7.14	-32.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC=CC=C2)CC1(F)F	REAL300019861354	0	42	-1.0	-48.46	334.77	6.85	-41.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC=CC=C2)CC1(F)F	REAL300019861354	1	42	-1.0	-48.47	334.83	6.87	-41.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1	REAL300019861355	0	49	-1.0	-49.96	378.41	7.66	-42.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1	REAL300019861355	1	49	-1.0	-49.98	378.46	7.67	-42.31
COC1(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)CN(C(=O)OC(C)(C)C)C1	REAL300019861356	0	56	-1.0	-50.98	430.88	5.35	-45.63
COC1(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)CN(C(=O)OC(C)(C)C)C1	REAL300019861356	1	56	-1.0	-50.99	430.94	5.36	-45.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CC2=NNN=C2)CCCC1	REAL300019861357	0	47	-1.0	-55.71	319.97	3.63	-52.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CC2=NNN=C2)CCCC1	REAL300019861357	1	47	-1.0	-55.73	320.02	3.65	-52.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C(C)(C)C)N=C1C(C)(C)C	REAL300019861358	0	56	-1.0	-47.19	419.14	7.59	-39.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C(C)(C)C)N=C1C(C)(C)C	REAL300019861358	1	56	-1.0	-47.17	419.08	7.59	-39.58
C#CC1=CC=C(C2CC2C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019861359	0	44	-1.0	-50.41	358.27	8.59	-41.82
C#CC1=CC=C(C2CC2C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019861359	1	44	-1.0	-50.41	358.32	8.60	-41.81
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C2=CC=CC=C2C=N1	REAL300019861360	0	43	-1.0	-50.86	344.82	6.21	-44.65
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C2=CC=CC=C2C=N1	REAL300019861360	1	43	-1.0	-50.85	344.77	6.19	-44.66
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2CCC2)CC1(F)F	REAL300019861361	0	42	-1.0	-37.05	321.24	6.91	-30.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2CCC2)CC1(F)F	REAL300019861361	1	42	-1.0	-37.08	321.27	6.91	-30.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1	REAL300019861362	0	47	-1.0	-43.61	381.90	6.55	-37.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1	REAL300019861362	1	47	-1.0	-43.64	381.96	6.57	-37.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC(C(F)(F)F)(CC1)C2	REAL300019861363	0	45	-1.0	-41.52	343.41	6.38	-35.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC(C(F)(F)F)(CC1)C2	REAL300019861363	1	45	-1.0	-41.52	343.47	6.39	-35.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C	REAL300019861364	0	55	-1.0	-58.33	415.45	4.75	-53.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C	REAL300019861364	1	55	-1.0	-58.33	415.50	4.77	-53.56
COC1=CC=C(C=CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C(OC)=C1OC	REAL300019861365	0	51	-1.0	-49.96	411.19	5.94	-44.02
COC1=CC=C(C=CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C(OC)=C1OC	REAL300019861365	1	51	-1.0	-49.95	411.24	5.95	-44.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1COC=CN1C(=O)OC(C)(C)C	REAL300019861366	0	51	-1.0	-48.16	396.52	5.16	-43.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1COC=CN1C(=O)OC(C)(C)C	REAL300019861366	1	51	-1.0	-48.20	396.59	5.17	-43.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(CNC(=O)OC(C)(C)C)CC(C)(C)C1	REAL300019861367	0	61	-1.0	-47.40	444.89	5.21	-42.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(CNC(=O)OC(C)(C)C)CC(C)(C)C1	REAL300019861367	1	61	-1.0	-47.40	444.94	5.22	-42.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300019861368	0	59	-1.0	-43.21	427.46	6.86	-36.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300019861368	1	59	-1.0	-43.20	427.52	6.88	-36.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2C(=O)NCCN2N=C1	REAL300019861369	0	40	-1.0	-50.68	320.06	2.07	-48.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2C(=O)NCCN2N=C1	REAL300019861369	1	40	-1.0	-50.69	320.00	2.07	-48.62
CC=CC1=CC=C(OCC(=O)N(CC2=N[N-]N=N2)CC(C)C)C(OC)=C1	REAL300019861370	0	50	-1.0	-52.53	400.64	7.99	-44.54
CC=CC1=CC=C(OCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C(OC)=C1	REAL300019861370	1	50	-1.0	-52.53	400.70	8.00	-44.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC(=O)CC12CCC2	REAL300019861371	0	44	-1.0	-42.14	331.01	5.64	-36.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC(=O)CC12CCC2	REAL300019861371	1	44	-1.0	-42.19	331.06	5.65	-36.54
CC1=CNC2=NC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C12	REAL300019861372	0	41	-1.0	-43.43	328.69	5.06	-38.37
CC1=CNC2=NC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C12	REAL300019861372	1	41	-1.0	-43.43	328.73	5.05	-38.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1	REAL300019861373	0	59	-1.0	-50.34	449.61	4.89	-45.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC(NC(=O)OC(C)(C)C)CCO1	REAL300019861373	1	59	-1.0	-50.37	449.66	4.91	-45.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C	REAL300019861374	0	59	-1.0	-40.20	427.50	7.17	-33.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)OC(C)(C)C	REAL300019861374	1	59	-1.0	-40.22	427.57	7.17	-33.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(CCOC2)N=C1Cl	REAL300019861375	0	42	-1.0	-35.81	342.04	3.89	-31.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(CCOC2)N=C1Cl	REAL300019861375	1	42	-1.0	-35.81	342.12	3.89	-31.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(OC2=CC=CC=C2)CC1	REAL300019861376	0	52	-1.0	-47.71	383.47	7.64	-40.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(OC2=CC=CC=C2)CC1	REAL300019861376	1	52	-1.0	-47.71	383.52	7.66	-40.05
CC1=NN=C(CC2=CC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C2)O1	REAL300019861377	0	46	-1.0	-54.59	373.68	2.39	-52.20
CC1=NN=C(CC2=CC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C2)O1	REAL300019861377	1	46	-1.0	-54.60	373.74	2.40	-52.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC2=CC=CN=C2C1	REAL300019861378	0	41	-1.0	-47.53	322.89	5.37	-42.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC2=CC=CN=C2C1	REAL300019861378	1	41	-1.0	-47.50	322.94	5.38	-42.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019861379	0	41	-1.0	-39.94	344.83	7.95	-31.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019861379	1	41	-1.0	-39.93	344.85	7.97	-31.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019861380	0	47	-1.0	-44.84	380.64	8.92	-35.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019861380	1	47	-1.0	-44.85	380.69	8.93	-35.92
CC1=CC2=CC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CN=C2C(F)=C1	REAL300019861381	0	43	-1.0	-50.42	349.76	6.16	-44.26
CC1=CC2=CC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CN=C2C(F)=C1	REAL300019861381	1	43	-1.0	-50.44	349.70	6.14	-44.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=COC(C2=CN(C)N=C2)=N1	REAL300019861382	0	41	-1.0	-47.14	346.67	3.56	-43.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=COC(C2=CN(C)N=C2)=N1	REAL300019861382	1	41	-1.0	-46.99	345.69	3.55	-43.44
COC1=C2C=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)NC2=C(C)C=C1	REAL300019861383	0	46	-1.0	-41.07	358.69	6.51	-34.56
COC1=C2C=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)NC2=C(C)C=C1	REAL300019861383	1	46	-1.0	-41.08	358.72	6.53	-34.55
CCCCOC1=CC=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019861384	0	51	-1.0	-45.37	404.91	8.11	-37.26
CCCCOC1=CC=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019861384	1	51	-1.0	-45.38	404.97	8.13	-37.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1	REAL300019861385	0	52	-1.0	-47.38	418.46	5.33	-42.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(CS(=O)(=O)C(C)(C)C)=N1	REAL300019861385	1	52	-1.0	-47.41	418.51	5.33	-42.08
COC1=NC2=CC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C2C=C1	REAL300019861386	0	44	-1.0	-40.98	353.59	4.08	-36.90
COC1=NC2=CC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C2C=C1	REAL300019861386	1	44	-1.0	-40.97	353.57	4.07	-36.90
CC1=CN2C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CN=C2S1	REAL300019861387	0	38	-1.0	-36.58	315.62	4.85	-31.73
CC1=CN2C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CN=C2S1	REAL300019861387	1	38	-1.0	-34.92	321.74	5.96	-28.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019861388	0	45	-1.0	-44.85	380.67	6.85	-38.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019861388	1	45	-1.0	-44.84	380.73	6.86	-37.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=C(Cl)S1	REAL300019861389	0	32	-1.0	-39.67	299.40	4.70	-34.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=C(Cl)S1	REAL300019861389	1	32	-1.0	-39.72	299.48	4.73	-34.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C(C)(C)C)=CC=N1	REAL300019861390	0	46	-1.0	-41.86	351.29	7.55	-34.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C(C)(C)C)=CC=N1	REAL300019861390	1	46	-1.0	-41.83	351.22	7.56	-34.27
COC1CC2(C1)CCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)CC2	REAL300019861391	0	52	-1.0	-44.13	382.10	6.51	-37.62
COC1CC2(C1)CCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)CC2	REAL300019861391	1	52	-1.0	-44.08	382.16	6.52	-37.56
CCCC(CCC1=CC=CC=C1)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861392	0	53	-1.0	-46.99	399.54	9.13	-37.86
CCCC(CCC1=CC=CC=C1)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861392	1	53	-1.0	-47.00	399.60	9.14	-37.86
CCC(C)(C)C1CCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL300019861393	0	56	-1.0	-36.70	381.35	8.13	-28.57
CCC(C)(C)C1CCC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC1	REAL300019861393	1	56	-1.0	-36.73	381.43	8.15	-28.58
CC1=CC2=CC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CN=C2C=C1	REAL300019861394	0	43	-1.0	-42.07	343.07	6.11	-35.96
CC1=CC2=CC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CN=C2C=C1	REAL300019861394	1	43	-1.0	-42.08	343.03	6.12	-35.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NOC(C2=CN(C)N=N2)=C1	REAL300019861395	0	40	-1.0	-46.54	340.09	3.91	-42.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC(C2=CN(C)N=N2)=C1	REAL300019861395	1	40	-1.0	-46.53	340.15	3.93	-42.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2(CC(=O)C2)CC1	REAL300019861396	0	47	-1.0	-49.53	356.16	6.46	-43.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2(CC(=O)C2)CC1	REAL300019861396	1	47	-1.0	-49.50	356.22	6.48	-43.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300019861397	0	42	-1.0	-41.27	336.29	4.96	-36.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300019861397	1	42	-1.0	-41.33	336.32	4.96	-36.37
CCC(CCC1=CC=CC=C1)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861398	0	50	-1.0	-46.94	389.45	8.88	-38.06
CCC(CCC1=CC=CC=C1)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861398	1	50	-1.0	-46.91	389.51	8.89	-38.02
COC1(C(F)(F)C(=O)N(CC2=N[N-]N=N2)CC(C)C)CCCC1	REAL300019861399	0	45	-1.0	-42.43	337.92	5.22	-37.21
COC1(C(F)(F)C(=O)N(CC2=NN=N[N-]2)CC(C)C)CCCC1	REAL300019861399	1	45	-1.0	-42.41	337.98	5.23	-37.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=C2CCOCC2=C1	REAL300019861400	0	49	-1.0	-44.23	383.90	7.14	-37.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=C2CCOCC2=C1	REAL300019861400	1	49	-1.0	-44.24	383.96	7.15	-37.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC12CCC(F)(F)CC2	REAL300019861401	0	45	-1.0	-45.70	349.13	7.22	-38.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC12CCC(F)(F)CC2	REAL300019861401	1	45	-1.0	-45.72	349.19	7.24	-38.48
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N=C1Br	REAL300019861402	0	37	-1.0	-44.36	314.91	5.78	-38.58
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N=C1Br	REAL300019861402	1	37	-1.0	-44.36	314.85	5.77	-38.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1	REAL300019861403	0	45	-1.0	-43.23	361.20	6.29	-36.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1	REAL300019861403	1	45	-1.0	-43.26	361.26	6.31	-36.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019861404	0	39	-1.0	-43.72	334.98	4.99	-38.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019861404	1	39	-1.0	-43.70	334.92	4.97	-38.73
COC(=O)C1=CSC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019861405	0	38	-1.0	-51.03	323.43	4.45	-46.58
COC(=O)C1=CSC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019861405	1	38	-1.0	-51.07	323.48	4.46	-46.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(C(C)(C)C)=C1	REAL300019861406	0	46	-1.0	-39.46	352.12	5.64	-33.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(C(C)(C)C)=C1	REAL300019861406	1	46	-1.0	-39.41	352.08	5.64	-33.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019861407	0	43	-1.0	-45.50	361.27	6.94	-38.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019861407	1	43	-1.0	-45.49	361.31	6.97	-38.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1	REAL300019861408	0	42	-1.0	-47.95	360.73	4.51	-43.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1	REAL300019861408	1	42	-1.0	-47.95	360.66	4.51	-43.44
COC1CC(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C1(C)C	REAL300019861409	0	48	-1.0	-48.20	365.98	5.56	-42.64
COC1CC(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C1(C)C	REAL300019861409	1	48	-1.0	-48.21	366.04	5.58	-42.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C(C2CC2)CCN1C(=O)OC(C)(C)C	REAL300019861410	0	59	-1.0	-50.67	430.87	7.56	-43.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C(C2CC2)CCN1C(=O)OC(C)(C)C	REAL300019861410	1	59	-1.0	-50.71	430.94	7.58	-43.13
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019861411	0	45	-1.0	-39.89	366.26	7.49	-32.40
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019861411	1	45	-1.0	-39.88	366.32	7.50	-32.38
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861412	0	55	-1.0	-39.20	418.93	6.19	-33.01
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861412	1	55	-1.0	-39.27	418.98	6.20	-33.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1	REAL300019861413	0	49	-1.0	-53.67	383.26	6.42	-47.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1	REAL300019861413	1	49	-1.0	-53.64	383.20	6.41	-47.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCCN1C(=O)CCCC2	REAL300019861414	0	49	-1.0	-54.23	344.71	5.21	-49.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCCN1C(=O)CCCC2	REAL300019861414	1	49	-1.0	-54.27	344.77	5.23	-49.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019861415	0	45	-1.0	-36.24	368.48	7.99	-28.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019861415	1	45	-1.0	-36.29	368.54	8.00	-28.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2(CC2(F)F)C1	REAL300019861416	0	42	-1.0	-41.95	338.01	6.67	-35.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2(CC2(F)F)C1	REAL300019861416	1	42	-1.0	-41.95	338.06	6.68	-35.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCC2C1C2(F)F	REAL300019861417	0	42	-1.0	-48.96	320.82	6.57	-42.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC2C1C2(F)F	REAL300019861417	1	42	-1.0	-48.97	320.88	6.59	-42.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C	REAL300019861418	0	46	-1.0	-47.76	359.32	7.07	-40.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C	REAL300019861418	1	46	-1.0	-47.80	359.38	7.09	-40.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=CC(Br)=C1F	REAL300019861419	0	41	-1.0	-48.09	358.00	7.75	-40.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=CC(Br)=C1F	REAL300019861419	1	41	-1.0	-48.07	358.06	7.76	-40.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CCCC[C@H]1C(C)(C)C	REAL300019861420	0	53	-1.0	-44.22	354.70	7.26	-36.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCCC[C@H]1C(C)(C)C	REAL300019861420	1	53	-1.0	-44.19	354.79	7.27	-36.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]12C[C@H]1[C@H](NC(=O)OC(C)(C)C)C2	REAL300019861421	0	53	-1.0	-45.18	406.40	4.80	-40.38
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]12C[C@H]1[C@H](NC(=O)OC(C)(C)C)C2	REAL300019861421	1	53	-1.0	-45.15	406.45	4.81	-40.34
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(C(F)F)=NN1C	REAL300019861422	0	41	-1.0	-38.61	335.73	4.63	-33.98
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(C(F)F)=NN1C	REAL300019861422	1	41	-1.0	-38.61	335.76	4.64	-33.97
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861423	0	46	-1.0	-44.83	351.46	4.77	-40.06
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861423	1	46	-1.0	-44.84	351.54	4.79	-40.05
CCC1=CC=C(C(=O)C(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL300019861424	0	40	-1.0	-41.10	339.38	6.27	-34.83
CCC1=CC=C(C(=O)C(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL300019861424	1	40	-1.0	-41.08	339.44	6.28	-34.80
COC1=CC(Br)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1F	REAL300019861425	0	39	-1.0	-43.03	343.15	5.39	-37.64
COC1=CC(Br)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1F	REAL300019861425	1	39	-1.0	-43.03	343.21	5.40	-37.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C	REAL300019861426	0	53	-1.0	-42.28	413.00	5.14	-37.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C	REAL300019861426	1	53	-1.0	-42.25	413.04	5.15	-37.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1N(C(=O)OC(C)(C)C)CC12CCC2	REAL300019861427	0	56	-1.0	-52.41	422.23	6.84	-45.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1N(C(=O)OC(C)(C)C)CC12CCC2	REAL300019861427	1	56	-1.0	-52.40	422.29	6.85	-45.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCN(C(=O)OC(C)(C)C)C12COC2	REAL300019861428	0	57	-1.0	-47.67	416.97	4.86	-42.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCN(C(=O)OC(C)(C)C)C12COC2	REAL300019861428	1	57	-1.0	-47.75	417.01	4.88	-42.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C2CCCC2)=NN1	REAL300019861429	0	45	-1.0	-37.19	345.49	5.83	-31.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C2CCCC2)=NN1	REAL300019861429	1	45	-1.0	-37.25	345.54	5.82	-31.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1	REAL300019861430	0	47	-1.0	-48.79	371.16	3.58	-45.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1	REAL300019861430	1	47	-1.0	-48.79	371.22	3.59	-45.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=C1CCC(=O)N2	REAL300019861431	0	43	-1.0	-45.56	339.23	4.17	-41.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=C1CCC(=O)N2	REAL300019861431	1	43	-1.0	-45.61	339.29	4.19	-41.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1	REAL300019861432	0	43	-1.0	-43.23	354.85	4.03	-39.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1	REAL300019861432	1	43	-1.0	-43.24	354.89	4.04	-39.20
COC(=O)C1=CC=CC2=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=CC=C12	REAL300019861433	0	47	-1.0	-45.39	377.88	7.93	-37.46
COC(=O)C1=CC=CC2=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=CC=C12	REAL300019861433	1	47	-1.0	-45.39	377.94	7.95	-37.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC2=C1CCNC2=O	REAL300019861434	0	42	-1.0	-42.65	328.78	1.59	-41.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC2=C1CCNC2=O	REAL300019861434	1	42	-1.0	-42.66	328.84	1.60	-41.06
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=NC=C1C(F)F	REAL300019861435	0	40	-1.0	-39.87	328.82	6.67	-33.20
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=NC=C1C(F)F	REAL300019861435	1	40	-1.0	-39.86	328.87	6.67	-33.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=C(CCCNC2=O)S1	REAL300019861436	0	43	-1.0	-53.23	345.95	3.27	-49.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C(CCCNC2=O)S1	REAL300019861436	1	43	-1.0	-53.26	346.01	3.28	-49.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=CC(C(=O)N(C)C)=C1	REAL300019861437	0	44	-1.0	-52.07	350.73	3.08	-48.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=CC(C(=O)N(C)C)=C1	REAL300019861437	1	44	-1.0	-52.12	350.67	3.06	-49.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019861438	0	39	-1.0	-48.12	324.71	5.01	-43.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019861438	1	39	-1.0	-48.11	324.65	5.00	-43.11
CCOCC(NC(=O)OC(C)(C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861439	0	55	-1.0	-45.25	419.04	2.79	-42.46
CCOCC(NC(=O)OC(C)(C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861439	1	55	-1.0	-45.27	419.11	2.80	-42.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1	REAL300019861440	0	58	-1.0	-45.04	434.71	6.88	-38.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1	REAL300019861440	1	58	-1.0	-45.09	434.77	6.89	-38.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1	REAL300019861441	0	55	-1.0	-48.92	410.88	4.19	-44.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1	REAL300019861441	1	55	-1.0	-48.91	410.94	4.21	-44.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2	REAL300019861442	0	56	-1.0	-50.61	432.86	5.71	-44.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2	REAL300019861442	1	56	-1.0	-50.63	432.91	5.73	-44.90
COC1=CC=CC=C1OC(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861443	0	46	-1.0	-52.42	361.80	6.34	-46.08
COC1=CC=CC=C1OC(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861443	1	46	-1.0	-52.41	361.86	6.36	-46.05
CC1=C(Cl)C=NN1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019861444	0	38	-1.0	-48.18	326.28	4.54	-43.64
CC1=C(Cl)C=NN1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019861444	1	38	-1.0	-48.21	326.34	4.56	-43.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCN(C(=O)OC(C)(C)C)C12CCC2	REAL300019861445	0	59	-1.0	-50.12	430.34	6.61	-43.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCN(C(=O)OC(C)(C)C)C12CCC2	REAL300019861445	1	59	-1.0	-50.12	430.40	6.62	-43.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H](C)ONC(=O)OC(C)(C)C	REAL300019861446	0	49	-1.0	-52.19	385.48	4.28	-47.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](C)ONC(=O)OC(C)(C)C	REAL300019861446	1	49	-1.0	-52.19	385.54	4.29	-47.90
CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1S(=O)(=O)N(C)C	REAL300019861447	0	49	-1.0	-57.89	382.16	3.38	-54.51
CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1S(=O)(=O)N(C)C	REAL300019861447	1	49	-1.0	-57.94	382.22	3.39	-54.55
CCC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)N2C=C(C)SC2=N1	REAL300019861448	0	44	-1.0	-46.53	363.18	7.02	-39.51
CCC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)N2C=C(C)SC2=N1	REAL300019861448	1	44	-1.0	-46.50	363.24	7.03	-39.47
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC(C2CCCO2)O1	REAL300019861449	0	47	-1.0	-38.92	357.64	5.10	-33.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC(C2CCCO2)O1	REAL300019861449	1	47	-1.0	-38.91	357.69	5.11	-33.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)OC(C)(C)C	REAL300019861450	0	56	-1.0	-50.54	414.35	6.65	-43.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)OC(C)(C)C	REAL300019861450	1	56	-1.0	-50.55	414.41	6.67	-43.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019861451	0	38	-1.0	-40.16	342.34	6.80	-33.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019861451	1	38	-1.0	-40.16	342.39	6.82	-33.34
CC1=CC(F)=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1[N+](=O)[O-]	REAL300019861452	0	40	-1.0	-47.59	340.12	6.74	-40.85
CC1=CC(F)=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1[N+](=O)[O-]	REAL300019861452	1	40	-1.0	-47.59	340.18	6.76	-40.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2N=NN(C)C2=CC=C1	REAL300019861453	0	40	-1.0	-47.83	323.11	3.75	-44.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2N=NN(C)C2=CC=C1	REAL300019861453	1	40	-1.0	-47.85	323.03	3.76	-44.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2OCCCC2=C1	REAL300019861454	0	42	-1.0	-45.27	327.61	2.46	-42.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2OCCCC2=C1	REAL300019861454	1	42	-1.0	-45.31	327.55	2.45	-42.86
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C2=CC=NC=C2)=NO1	REAL300019861455	0	40	-1.0	-40.50	336.08	4.88	-35.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C2=CC=NC=C2)=NO1	REAL300019861455	1	40	-1.0	-40.50	336.14	4.90	-35.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(F)(F)CCC1=CC=CC=C1	REAL300019861456	0	44	-1.0	-40.46	355.99	8.07	-32.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(F)(F)CCC1=CC=CC=C1	REAL300019861456	1	44	-1.0	-40.47	356.05	8.09	-32.38
CC1=CC2=C(C=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)S2)S1	REAL300019861457	0	38	-1.0	-39.20	324.08	6.72	-32.48
CC1=CC2=C(C=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)S2)S1	REAL300019861457	1	38	-1.0	-39.22	324.13	6.72	-32.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC=CC2=CC=CC=C21	REAL300019861458	0	43	-1.0	-45.85	338.97	7.65	-38.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC=CC2=CC=CC=C21	REAL300019861458	1	43	-1.0	-45.87	339.03	7.67	-38.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CC=C1CS(N)(=O)=O	REAL300019861459	0	46	-1.0	-50.20	380.55	1.86	-48.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CC=C1CS(N)(=O)=O	REAL300019861459	1	46	-1.0	-50.18	380.60	1.88	-48.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019861460	0	41	-1.0	-37.40	350.63	7.81	-29.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019861460	1	41	-1.0	-37.43	350.68	7.82	-29.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C=NN=C2C=N1	REAL300019861461	0	36	-1.0	-40.90	299.65	6.55	-34.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C=NN=C2C=N1	REAL300019861461	1	36	-1.0	-40.83	299.60	6.53	-34.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300019861462	0	48	-1.0	-45.09	393.52	9.10	-35.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300019861462	1	48	-1.0	-45.07	393.57	9.11	-35.96
CON(CCC(=O)N(CC1=N[N-]N=N1)CC(C)C)C(=O)OC(C)(C)C	REAL300019861463	0	52	-1.0	-43.61	409.49	5.69	-37.92
CON(CCC(=O)N(CC1=NN=N[N-]1)CC(C)C)C(=O)OC(C)(C)C	REAL300019861463	1	52	-1.0	-43.66	409.55	5.71	-37.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC2=NNN=C2C(Br)=C1	REAL300019861464	0	37	-1.0	-36.87	316.09	2.80	-34.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=NNN=C2C(Br)=C1	REAL300019861464	1	37	-1.0	-36.86	316.14	2.79	-34.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1	REAL300019861465	0	48	-1.0	-42.75	384.28	4.17	-38.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1	REAL300019861465	1	48	-1.0	-42.74	384.34	4.18	-38.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC2=NC=CC=C12	REAL300019861466	0	40	-1.0	-50.24	317.20	5.37	-44.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC2=NC=CC=C12	REAL300019861466	1	40	-1.0	-50.25	317.14	5.35	-44.90
COC(=O)C1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C(F)C=N1	REAL300019861467	0	40	-1.0	-41.76	335.82	4.16	-37.60
COC(=O)C1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C(F)C=N1	REAL300019861467	1	40	-1.0	-41.76	335.74	4.17	-37.59
CC1=CC2=C(OCC2)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019861468	0	43	-1.0	-43.23	336.39	6.07	-37.16
CC1=CC2=C(OCC2)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019861468	1	43	-1.0	-43.22	336.43	6.07	-37.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2SC=CC2=CN=C1	REAL300019861469	0	37	-1.0	-42.05	310.38	4.69	-37.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2SC=CC2=CN=C1	REAL300019861469	1	37	-1.0	-42.04	310.30	4.69	-37.35
COC1CC2(C1)CC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)C2	REAL300019861470	0	46	-1.0	-45.59	358.11	5.35	-40.24
COC1CC2(C1)CC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)C2	REAL300019861470	1	46	-1.0	-45.65	358.17	5.37	-40.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC=CC=C1COC(C)C	REAL300019861471	0	51	-1.0	-45.66	401.96	7.80	-37.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC=CC=C1COC(C)C	REAL300019861471	1	51	-1.0	-45.66	402.01	7.81	-37.85
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019861472	0	42	-1.0	-46.81	368.02	8.46	-38.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019861472	1	42	-1.0	-46.85	368.08	8.48	-38.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CCCNC(=O)C1	REAL300019861473	0	45	-1.0	-58.13	342.80	3.16	-54.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CCCNC(=O)C1	REAL300019861473	1	45	-1.0	-58.12	342.86	3.18	-54.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC1C(F)(F)F	REAL300019861474	0	38	-1.0	-34.81	311.85	5.36	-29.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC1C(F)(F)F	REAL300019861474	1	38	-1.0	-34.82	311.91	5.37	-29.45
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCCCC12CCC2	REAL300019861475	0	48	-1.0	-36.31	341.36	7.34	-28.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCCC12CCC2	REAL300019861475	1	48	-1.0	-36.31	341.45	7.35	-28.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12COC(C)(C1)CCC2	REAL300019861476	0	46	-1.0	-41.02	329.42	4.88	-36.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12COC(C)(C1)CCC2	REAL300019861476	1	46	-1.0	-41.03	329.47	4.89	-36.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019861477	0	51	-1.0	-38.00	383.43	9.20	-28.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019861477	1	51	-1.0	-38.04	383.45	9.22	-28.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=C(I)C=N1	REAL300019861478	0	35	-1.0	-46.75	319.06	4.79	-41.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=C(I)C=N1	REAL300019861478	1	35	-1.0	-46.71	319.00	4.78	-41.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN=C2C=C(Br)C=CN12	REAL300019861479	0	38	-1.0	-44.19	323.35	5.92	-38.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN=C2C=C(Br)C=CN12	REAL300019861479	1	38	-1.0	-44.17	323.30	5.90	-38.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C2N=CN(C)C2=CC=C1	REAL300019861480	0	41	-1.0	-48.25	323.76	6.23	-42.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C2N=CN(C)C2=CC=C1	REAL300019861480	1	41	-1.0	-48.23	323.70	6.24	-41.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCCCC1C2(F)F	REAL300019861481	0	42	-1.0	-37.41	320.44	6.34	-31.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCCCC1C2(F)F	REAL300019861481	1	42	-1.0	-37.43	320.50	6.35	-31.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Cl)C=NN1C1CCCC1	REAL300019861482	0	45	-1.0	-41.80	370.70	6.52	-35.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Cl)C=NN1C1CCCC1	REAL300019861482	1	45	-1.0	-41.78	370.66	6.51	-35.27
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C2=CC=CC=N2)=NN1	REAL300019861483	0	41	-1.0	-39.42	336.59	4.61	-34.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C2=CC=CC=N2)=NN1	REAL300019861483	1	41	-1.0	-39.40	336.64	4.62	-34.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019861484	0	45	-1.0	-53.55	364.47	1.21	-52.34
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019861484	1	45	-1.0	-53.55	364.42	1.21	-52.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC(Cl)=C(Cl)N=C1N	REAL300019861485	0	35	-1.0	-39.54	319.67	2.05	-37.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC(Cl)=C(Cl)N=C1N	REAL300019861485	1	35	-1.0	-39.54	319.61	2.03	-37.51
COC1=C(Cl)C=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C2=NC=CC=C21	REAL300019861486	0	44	-1.0	-50.06	378.41	6.05	-44.01
COC1=C(Cl)C=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C2=NC=CC=C21	REAL300019861486	1	44	-1.0	-50.08	378.35	6.03	-44.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C	REAL300019861487	0	50	-1.0	-44.77	389.69	5.72	-39.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C(=O)OC(C)(C)C)C=NN1C	REAL300019861487	1	50	-1.0	-44.73	389.64	5.71	-39.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CN2N=NC=C12	REAL300019861488	0	37	-1.0	-45.73	306.50	3.52	-42.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CN2N=NC=C12	REAL300019861488	1	37	-1.0	-45.73	306.45	3.50	-42.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C#N)CCCN(C(=O)OC(C)(C)C)C1	REAL300019861489	0	56	-1.0	-42.21	417.08	5.96	-36.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C#N)CCCN(C(=O)OC(C)(C)C)C1	REAL300019861489	1	56	-1.0	-42.19	417.13	5.97	-36.22
NC1=CC=CC=C1S(=O)(=O)NCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866202	0	40	-1.0	-52.32	340.96	-1.78	-54.10
NC1=CC=CC=C1S(=O)(=O)NCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866202	1	40	-1.0	-52.35	341.03	-1.79	-54.14
CC(C(=O)NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC(Br)=C1	REAL300019866203	0	36	-1.0	-48.64	313.79	5.34	-43.30
CC(C(=O)NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC(Br)=C1	REAL300019866203	1	36	-1.0	-48.63	313.85	5.34	-43.29
CC(CC(=O)NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(F)C(Br)=C1	REAL300019866204	0	39	-1.0	-46.93	338.42	6.08	-40.85
CC(CC(=O)NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(F)C(Br)=C1	REAL300019866204	1	39	-1.0	-46.95	338.48	6.08	-40.87
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866205	0	43	-1.0	-51.01	351.16	3.92	-47.09
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866205	1	43	-1.0	-51.04	351.23	3.91	-47.13
O=C(CC1=C(Br)C=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300019866206	0	30	-1.0	-47.78	286.24	3.84	-43.94
O=C(CC1=C(Br)C=CS1)NC1(C2=NN=N[N-]2)CCC1	REAL300019866206	1	30	-1.0	-47.77	286.31	3.83	-43.94
COC1=CC=CC(OCCC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019866207	0	41	-1.0	-50.21	335.93	3.11	-47.10
COC1=CC=CC(OCCC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019866207	1	41	-1.0	-50.20	336.00	3.11	-47.09
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=C(OC2CCCCC2)C(Cl)=C1	REAL300019866208	0	46	-1.0	-48.58	378.79	4.57	-44.01
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=C(OC2CCCCC2)C(Cl)=C1	REAL300019866208	1	46	-1.0	-48.60	378.72	4.57	-44.03
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866209	0	41	-1.0	-58.03	332.96	3.45	-54.58
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866209	1	41	-1.0	-58.03	333.02	3.45	-54.58
CN1CCC2=C(C1)C1=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C1N2	REAL300019866210	0	46	-1.0	-58.06	362.65	3.46	-54.60
CN1CCC2=C(C1)C1=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C1N2	REAL300019866210	1	46	-1.0	-58.08	362.71	3.45	-54.63
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C1N2	REAL300019866210	1	47	0.0	-75.37	365.09	5.84	-69.53
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C1N2	REAL300019866210	1	47	0.0	-75.34	365.15	5.82	-69.52
CC(C)(C)OC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1	REAL300019866211	0	42	-1.0	-49.65	329.39	2.78	-46.87
CC(C)(C)OC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1	REAL300019866211	1	42	-1.0	-49.67	329.32	2.78	-46.89
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CNC(C(F)(F)F)=C1	REAL300019866212	0	31	-1.0	-55.18	280.09	2.37	-52.81
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CNC(C(F)(F)F)=C1	REAL300019866212	1	31	-1.0	-55.19	280.16	2.36	-52.83
CC1=CC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)N=C2C=C1	REAL300019866213	0	38	-1.0	-51.36	316.56	4.61	-46.75
CC1=CC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N=C2C=C1	REAL300019866213	1	38	-1.0	-51.41	316.49	4.61	-46.80
COC(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N1C	REAL300019866214	0	37	-1.0	-48.59	309.19	3.45	-45.14
COC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N1C	REAL300019866214	1	37	-1.0	-48.63	309.26	3.44	-45.19
CCS(=O)(=O)NC(C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866215	0	37	-1.0	-50.77	312.32	-1.75	-52.52
CCS(=O)(=O)NC(C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866215	1	37	-1.0	-50.79	312.38	-1.75	-52.54
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019866216	0	35	-2.0	-101.02	301.96	0.97	-100.05
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019866216	1	35	-2.0	-101.03	302.03	0.97	-100.06
CC1=CC(=O)NC2=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C12	REAL300019866217	0	39	-1.0	-57.62	321.43	3.13	-54.49
CC1=CC(=O)NC2=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C12	REAL300019866217	1	39	-1.0	-57.68	321.49	3.12	-54.56
O=C(CC1=CC=CC(Cl)=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300019866218	0	33	-1.0	-49.65	298.19	4.72	-44.93
O=C(CC1=CC=CC(Cl)=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300019866218	1	33	-1.0	-49.64	298.26	4.71	-44.93
CCC1C(C(=O)NC2(C3=N[N-]N=N3)CCC2)CCN1C(=O)OC(C)(C)C	REAL300019866219	0	53	-1.0	-56.73	392.12	5.23	-51.50
CCC1C(C(=O)NC2(C3=NN=N[N-]3)CCC2)CCN1C(=O)OC(C)(C)C	REAL300019866219	1	53	-1.0	-56.81	392.18	5.23	-51.58
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866220	0	34	-1.0	-42.93	312.00	2.33	-40.60
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866220	1	34	-1.0	-42.96	312.06	2.32	-40.64
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(C2CCCC2)C=C1	REAL300019866221	0	43	-1.0	-51.14	336.05	6.72	-44.42
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(C2CCCC2)C=C1	REAL300019866221	1	43	-1.0	-51.18	336.11	6.71	-44.47
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CCN(C2=CC=CC=C2Cl)C1	REAL300019866222	0	42	-1.0	-55.75	340.23	4.17	-51.58
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CCN(C2=CC=CC=C2Cl)C1	REAL300019866222	1	42	-1.0	-55.79	340.30	4.17	-51.62
CC1=CC=C2SC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC2=C1	REAL300019866223	0	36	-1.0	-50.90	312.15	5.61	-45.29
CC1=CC=C2SC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CC2=C1	REAL300019866223	1	36	-1.0	-50.90	312.21	5.61	-45.29
O=C(CCCC1=CC=CC=C1Cl)NC1(C2=N[N-]N=N2)CCC1	REAL300019866224	0	39	-1.0	-53.42	332.15	6.14	-47.28
O=C(CCCC1=CC=CC=C1Cl)NC1(C2=NN=N[N-]2)CCC1	REAL300019866224	1	39	-1.0	-53.43	332.22	6.14	-47.29
CC1=CC(=O)C=C(C)N1CCCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866225	0	45	-1.0	-65.20	355.90	5.15	-60.05
CC1=CC(=O)C=C(C)N1CCCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866225	1	45	-1.0	-65.17	355.97	5.14	-60.03
O=C(COC1=CC(F)=CC(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019866226	0	34	-1.0	-51.81	298.32	4.09	-47.72
O=C(COC1=CC(F)=CC(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019866226	1	34	-1.0	-51.82	298.38	4.08	-47.74
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CCN(C2=CC=CC=C2F)C1	REAL300019866227	0	42	-1.0	-51.73	334.25	3.85	-47.88
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CCN(C2=CC=CC=C2F)C1	REAL300019866227	1	42	-1.0	-51.74	334.31	3.84	-47.90
COC(=O)CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=CO1	REAL300019866228	0	39	-1.0	-56.73	336.01	3.72	-53.01
COC(=O)CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=CO1	REAL300019866228	1	39	-1.0	-56.75	336.07	3.71	-53.04
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(C2=CCCC2)C=C1	REAL300019866229	0	41	-1.0	-51.19	332.62	6.85	-44.34
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(C2=CCCC2)C=C1	REAL300019866229	1	41	-1.0	-51.18	332.69	6.84	-44.34
CC(C)(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Cl	REAL300019866230	0	42	-1.0	-48.11	335.39	6.04	-42.07
CC(C)(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300019866230	1	42	-1.0	-48.07	335.46	6.04	-42.03
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866231	0	51	-1.0	-57.44	408.18	8.33	-49.11
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866231	1	51	-1.0	-57.43	408.24	8.33	-49.10
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CON=C1C(F)(F)F	REAL300019866232	0	29	-1.0	-55.39	265.58	1.95	-53.44
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CON=C1C(F)(F)F	REAL300019866232	1	29	-1.0	-55.38	265.52	1.95	-53.43
CN(C)C1=NC(N)=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300019866233	0	37	-1.0	-53.28	312.18	4.15	-49.13
CN(C)C1=NC(N)=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300019866233	1	37	-1.0	-53.26	312.12	4.15	-49.11
CS(=O)(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C(Cl)C=N1	REAL300019866234	0	35	-1.0	-56.27	321.43	-0.35	-56.62
CS(=O)(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C(Cl)C=N1	REAL300019866234	1	35	-1.0	-56.28	321.36	-0.35	-56.63
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)NC1(C2=N[N-]N=N2)CCC1	REAL300019866235	0	39	-1.0	-63.37	335.73	3.25	-60.12
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)NC1(C2=NN=N[N-]2)CCC1	REAL300019866235	1	39	-1.0	-63.40	335.80	3.24	-60.16
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019866236	0	57	-1.0	-56.33	433.35	6.52	-49.81
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019866236	1	57	-1.0	-56.31	433.41	6.52	-49.79
CC(C)(C)OC(=O)N1CCN(CC(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019866237	0	52	-1.0	-56.15	389.72	1.99	-54.16
CC(C)(C)OC(=O)N1CCN(CC(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019866237	1	52	-1.0	-56.12	389.79	1.99	-54.13
CN(C)S(=O)(=O)NCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866238	0	36	-1.0	-52.97	307.77	-2.88	-55.85
CN(C)S(=O)(=O)NCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866238	1	36	-1.0	-52.96	307.84	-2.89	-55.85
CC1=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C(Br)S1	REAL300019866239	0	29	-1.0	-49.53	278.61	1.95	-47.58
CC1=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C(Br)S1	REAL300019866239	1	29	-1.0	-49.55	278.67	1.96	-47.59
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=C2NC(=O)NC2=C1	REAL300019866240	0	33	-1.0	-49.64	282.61	-0.43	-50.07
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=C2NC(=O)NC2=C1	REAL300019866240	1	33	-1.0	-49.70	282.67	-0.44	-50.14
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019866241	0	38	-1.0	-47.09	340.25	5.40	-41.69
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019866241	1	38	-1.0	-47.09	340.19	5.39	-41.70
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=NC(C(F)(F)F)=C1	REAL300019866242	0	32	-1.0	-51.57	287.68	2.85	-48.72
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=NC(C(F)(F)F)=C1	REAL300019866242	1	32	-1.0	-51.57	287.62	2.86	-48.71
CS(=O)(=O)C1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300019866243	0	34	-1.0	-55.61	305.61	-2.69	-58.30
CS(=O)(=O)C1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300019866243	1	34	-1.0	-55.64	305.55	-2.69	-58.33
CC1=CSC(NC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)=N1	REAL300019866244	0	41	-1.0	-52.87	348.86	4.53	-48.34
CC1=CSC(NC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)=N1	REAL300019866244	1	41	-1.0	-52.85	348.80	4.53	-48.32
NC1=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NC(N2CCOCC2)=N1	REAL300019866245	0	42	-1.0	-52.41	343.70	2.12	-50.29
NC1=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NC(N2CCOCC2)=N1	REAL300019866245	1	42	-1.0	-52.39	343.64	2.12	-50.27
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=C(OCC(F)F)C=N1	REAL300019866246	0	35	-1.0	-48.78	310.83	-0.32	-49.10
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=C(OCC(F)F)C=N1	REAL300019866246	1	35	-1.0	-48.77	310.76	-0.32	-49.09
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN(C2CCOCC2)N=N1	REAL300019866247	0	40	-1.0	-48.71	325.60	0.68	-48.03
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN(C2CCOCC2)N=N1	REAL300019866247	1	40	-1.0	-48.71	325.54	0.69	-48.02
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CC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1[N+](=O)[O-]	REAL300019866270	0	38	-1.0	-58.06	320.77	5.38	-52.68
CC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1[N+](=O)[O-]	REAL300019866270	1	38	-1.0	-58.05	320.83	5.37	-52.68
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CN1N=NC2=C1CC(C(=O)NC1(C3=NN=N[N-]3)CCC1)CC2	REAL300019866274	1	39	-1.0	-51.34	311.27	2.25	-49.09
COC1=CC=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)NN=C21	REAL300019866275	0	37	-1.0	-52.76	308.24	1.53	-51.23
COC1=CC=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)NN=C21	REAL300019866275	1	37	-1.0	-52.73	308.18	1.53	-51.20
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019866276	0	37	-2.0	-129.09	319.89	2.74	-126.35
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CC(C)(C)OC(=O)N1CC(C(F)C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019866277	0	47	-1.0	-51.78	376.45	3.53	-48.25
CC(C)(C)OC(=O)N1CC(C(F)C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019866277	1	47	-1.0	-51.78	376.51	3.52	-48.26
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CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866278	1	32	-1.0	-44.35	295.14	3.27	-41.08
CC1=NOC(CN2N=NC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C2C)=C1	REAL300019866279	0	41	-1.0	-52.58	347.08	2.39	-50.19
CC1=NOC(CN2N=NC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C2C)=C1	REAL300019866279	1	41	-1.0	-52.63	347.15	2.39	-50.24
CC(C)(C)C1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300019866280	0	40	-1.0	-48.53	323.87	3.49	-45.04
CC(C)(C)C1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300019866280	1	40	-1.0	-48.52	323.80	3.49	-45.03
CCOC(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019866281	0	39	-1.0	-51.87	328.55	5.10	-46.77
CCOC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019866281	1	39	-1.0	-51.91	328.62	5.10	-46.81
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)SC2=CC(F)=CC=C21	REAL300019866282	0	36	-1.0	-47.18	311.81	5.63	-41.55
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)SC2=CC(F)=CC=C21	REAL300019866282	1	36	-1.0	-47.19	311.87	5.64	-41.55
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O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL300019866285	0	38	-1.0	-48.88	319.16	4.24	-44.64
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL300019866285	1	38	-1.0	-48.87	319.23	4.24	-44.63
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866286	0	44	-1.0	-51.72	351.89	5.78	-45.94
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866286	1	44	-1.0	-51.71	351.95	5.77	-45.94
CN1C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN=C1C1=CC=CC=C1	REAL300019866287	0	42	-1.0	-58.81	346.48	5.54	-53.27
CN1C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN=C1C1=CC=CC=C1	REAL300019866287	1	42	-1.0	-58.84	346.54	5.53	-53.31
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CC(=O)C1=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C2=CC=C(C)C=C2O1	REAL300019866288	1	44	-1.0	-53.61	366.31	5.80	-47.81
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O=C(CCSC1=CC=CC(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019866289	1	37	-1.0	-47.39	333.57	5.95	-41.44
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300019866290	0	47	-1.0	-52.96	382.86	4.95	-48.01
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300019866290	1	47	-1.0	-53.02	382.93	4.95	-48.07
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=CC(C(F)(F)F)=C1	REAL300019866291	0	32	-1.0	-48.48	286.11	2.73	-45.75
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O=C(NC1(C2=N[N-]N=N2)CCC1)C(O)C1=CC=C(Cl)C=C1F	REAL300019866292	0	34	-1.0	-47.24	301.95	2.79	-44.45
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O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(Cl)=NC=C1Br	REAL300019866294	1	29	-1.0	-45.25	280.22	2.79	-42.46
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(N1)SC(Cl)=C2	REAL300019866295	0	31	-1.0	-48.05	292.81	3.17	-44.88
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(N1)SC(Cl)=C2	REAL300019866295	1	31	-1.0	-48.05	292.88	3.18	-44.87
COC(C)(C)C1=NC(C)=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300019866296	0	42	-1.0	-48.56	344.67	2.20	-46.36
COC(C)(C)C1=NC(C)=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300019866296	1	42	-1.0	-48.57	344.74	2.21	-46.36
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CC(C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1)C(F)(F)F	REAL300019866310	0	39	-1.0	-50.77	326.90	5.69	-45.08
CC(C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1)C(F)(F)F	REAL300019866310	1	39	-1.0	-50.79	326.96	5.69	-45.10
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CC1=CC=C(OC2=CC=CC=C2CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019866312	1	47	-1.0	-52.36	384.84	7.65	-44.71
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CC1=CC=C(OC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)N=C2)C=C1	REAL300019866318	0	43	-1.0	-48.98	359.09	5.30	-43.68
CC1=CC=C(OC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N=C2)C=C1	REAL300019866318	1	43	-1.0	-48.97	359.03	5.30	-43.67
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CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C(C)N1NC(N)=O	REAL300019866322	0	40	-1.0	-57.46	333.47	0.46	-57.00
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C(C)N1NC(N)=O	REAL300019866322	1	40	-1.0	-57.40	333.54	0.46	-56.94
CCON1CCC(CC(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019866323	0	45	-1.0	-49.86	341.78	2.54	-47.32
CCON1CCC(CC(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019866323	1	45	-1.0	-49.85	341.85	2.53	-47.32
CC1=CC=CC=C1OC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1	REAL300019866324	0	43	-1.0	-49.05	358.58	5.34	-43.71
CC1=CC=CC=C1OC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1	REAL300019866324	1	43	-1.0	-49.07	358.51	5.34	-43.73
O=C(CC1=CC=CC=C1OC1CCCC1)NC1(C2=N[N-]N=N2)CCC1	REAL300019866325	0	47	-1.0	-51.15	370.46	6.45	-44.70
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O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1	REAL300019866326	0	40	-1.0	-49.32	356.13	5.21	-44.11
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1	REAL300019866326	1	40	-1.0	-49.29	356.07	5.21	-44.08
COC1=CC(C=CC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1C(F)(F)F	REAL300019866327	0	41	-1.0	-51.10	353.34	5.09	-46.01
COC1=CC(C=CC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1C(F)(F)F	REAL300019866327	1	41	-1.0	-51.12	353.41	5.08	-46.04
CC1=CC=CC(OC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)N=C2)=C1	REAL300019866328	0	43	-1.0	-47.99	359.08	5.28	-42.71
CC1=CC=CC(OC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N=C2)=C1	REAL300019866328	1	43	-1.0	-47.99	359.02	5.28	-42.71
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC(C(=O)OC(C)(C)C)=C1	REAL300019866329	0	48	-1.0	-50.50	382.96	6.88	-43.62
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC(C(=O)OC(C)(C)C)=C1	REAL300019866329	1	48	-1.0	-50.48	383.03	6.88	-43.60
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019866330	0	41	-1.0	-51.05	335.65	6.80	-44.25
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019866330	1	41	-1.0	-51.07	335.72	6.79	-44.28
O=C(NC1(C2=N[N-]N=N2)CCC1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL300019866331	0	37	-1.0	-50.54	325.76	6.16	-44.38
O=C(NC1(C2=NN=N[N-]2)CCC1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL300019866331	1	37	-1.0	-50.57	325.82	6.15	-44.42
CC1=CC(Br)=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300019866332	0	30	-1.0	-50.33	283.32	3.94	-46.39
CC1=CC(Br)=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300019866332	1	30	-1.0	-50.32	283.38	3.94	-46.38
COC(=O)C1=C(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)OC=N1	REAL300019866333	0	38	-1.0	-57.40	326.58	0.29	-57.11
COC(=O)C1=C(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)OC=N1	REAL300019866333	1	38	-1.0	-57.36	326.51	0.29	-57.07
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C(Br)N=C2CCCCN21	REAL300019866334	0	37	-1.0	-53.78	321.25	3.98	-49.80
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C(Br)N=C2CCCCN21	REAL300019866334	1	37	-1.0	-53.84	321.31	3.97	-49.87
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866335	0	41	-1.0	-49.54	345.28	5.09	-44.45
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866335	1	41	-1.0	-49.54	345.35	5.08	-44.46
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COC1=CC=C(C=CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1S(N)(=O)=O	REAL300019866337	0	43	-1.0	-61.81	368.76	-0.53	-62.34
COC1=CC=C(C=CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1S(N)(=O)=O	REAL300019866337	1	43	-1.0	-61.81	368.83	-0.53	-62.34
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NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019866338	1	35	-2.0	-121.37	311.16	-2.13	-123.50
NS(=O)(=O)C1=CC=C(O)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019866338	1	36	-1.0	-55.71	314.65	-3.14	-58.85
NS(=O)(=O)C1=CC=C(O)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019866338	1	36	-1.0	-55.68	314.72	-3.14	-58.82
NS(=O)(=O)C1=CC=C(OCC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019866339	0	39	-1.0	-60.12	339.65	-1.09	-61.21
NS(=O)(=O)C1=CC=C(OCC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019866339	1	39	-1.0	-60.13	339.72	-1.09	-61.22
NS(=O)(=O)C1=CC=C(SCC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019866340	0	39	-1.0	-57.07	349.25	-0.39	-57.46
NS(=O)(=O)C1=CC=C(SCC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019866340	1	39	-1.0	-57.10	349.32	-0.40	-57.50
NS(=O)(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Cl	REAL300019866341	0	35	-1.0	-53.56	319.19	-1.00	-54.56
NS(=O)(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300019866341	1	35	-1.0	-53.60	319.25	-1.01	-54.61
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019866342	0	38	-1.0	-51.80	334.88	2.94	-48.86
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019866342	1	38	-1.0	-51.81	334.94	2.94	-48.87
CC(C)[NH+]1CCN(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019866343	0	50	0.0	-66.98	367.49	3.10	-63.88
CC(C)[NH+]1CCN(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019866343	1	50	0.0	-66.93	367.56	3.09	-63.84
CCOC(CN1C=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1)OCC	REAL300019866344	0	47	-1.0	-52.21	382.49	2.96	-49.25
CCOC(CN1C=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1)OCC	REAL300019866344	1	47	-1.0	-52.23	382.43	2.97	-49.26
CCC1(CN2C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)N=N2)COC1	REAL300019866345	0	43	-1.0	-49.40	345.65	1.39	-48.01
CCC1(CN2C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N=N2)COC1	REAL300019866345	1	43	-1.0	-49.42	345.58	1.38	-48.04
CC(C)[NH+]1CCN(CCCC(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019866346	0	53	0.0	-65.51	383.88	3.53	-61.98
CC(C)[NH+]1CCN(CCCC(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019866346	1	53	0.0	-65.56	383.95	3.52	-62.04
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CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300019866581	1	44	-1.0	-48.86	357.54	4.40	-44.46
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CC(C)(O)C1CCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019866583	0	46	-1.0	-52.45	333.21	1.94	-50.51
CC(C)(O)C1CCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019866583	1	46	-1.0	-52.47	333.27	1.93	-50.54
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CC(COCC(=O)NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC=C1	REAL300019866585	0	43	-1.0	-53.96	349.37	5.76	-48.20
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CC(C)(C)N1N=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1Br	REAL300019866649	1	39	-1.0	-50.24	326.94	3.49	-46.75
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COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019866681	0	41	-1.0	-53.19	333.99	4.83	-48.36
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019866681	1	41	-1.0	-53.19	334.05	4.83	-48.36
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CN(C)C(=O)C1CCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019866684	0	46	-1.0	-64.65	345.04	3.55	-61.10
CN(C)C(=O)C1CCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019866684	1	46	-1.0	-64.63	345.10	3.54	-61.09
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CC1=C(Br)C=NC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866685	1	32	-1.0	-46.32	281.16	2.95	-43.37
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CC(C)N1C(=O)NC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300019866687	0	43	-1.0	-54.10	346.50	3.78	-50.32
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300019866687	1	43	-1.0	-54.13	346.57	3.77	-50.36
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COC1=CC=CC(CC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1Cl	REAL300019866689	0	37	-1.0	-51.03	319.59	3.96	-47.07
COC1=CC=CC(CC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1Cl	REAL300019866689	1	37	-1.0	-51.04	319.65	3.95	-47.09
CCC(C(=O)NC1(C2=N[N-]N=N2)CCC1)N(C)C(=O)OC(C)(C)C	REAL300019866690	0	49	-1.0	-53.51	376.38	4.73	-48.78
CCC(C(=O)NC1(C2=NN=N[N-]2)CCC1)N(C)C(=O)OC(C)(C)C	REAL300019866690	1	49	-1.0	-53.51	376.45	4.73	-48.78
O=C(CCC1CC1(Cl)Cl)NC1(C2=N[N-]N=N2)CCC1	REAL300019866691	0	33	-1.0	-48.76	301.11	4.54	-44.22
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CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019866693	0	43	-1.0	-48.02	345.52	2.80	-45.22
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019866693	1	43	-1.0	-48.08	345.59	2.80	-45.28
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019866694	0	50	-1.0	-56.99	386.10	4.25	-52.74
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019866694	1	50	-1.0	-57.01	386.17	4.24	-52.77
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CC(C)N(CC(=O)NC1(C2=N[N-]N=N2)CCC1)C(=O)OC(C)(C)C	REAL300019866697	0	49	-1.0	-59.42	375.39	4.84	-54.58
CC(C)N(CC(=O)NC1(C2=NN=N[N-]2)CCC1)C(=O)OC(C)(C)C	REAL300019866697	1	49	-1.0	-59.40	375.46	4.83	-54.57
CC(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1OC(C)C	REAL300019866698	0	45	-1.0	-52.96	360.13	6.05	-46.91
CC(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1OC(C)C	REAL300019866698	1	45	-1.0	-52.98	360.20	6.04	-46.94
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CC(C(=O)NC1(C2=NN=N[N-]2)CCC1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300019866831	1	54	-1.0	-54.00	412.19	4.45	-49.55
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NC(=O)C1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300019866947	1	36	-1.0	-53.89	308.38	-0.76	-54.65
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CCC(C)C(C(=O)NC1(C2=NN=N[N-]2)CCC1)N1C=CC=C1C=O	REAL300019866951	1	45	-1.0	-49.32	348.05	4.94	-44.38
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CC1=CC2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)N2)S1	REAL300019868218	0	34	-1.0	-51.85	297.47	3.35	-48.50
CC1=CC2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N2)S1	REAL300019868218	1	34	-1.0	-51.83	297.41	3.34	-48.49
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CC(C)S(=O)(=O)NC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868222	0	44	-1.0	-54.27	359.59	1.45	-52.82
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868222	1	44	-1.0	-54.29	359.66	1.45	-52.84
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1(C3=N[N-]N=N3)CCC1)=C2	REAL300019868223	0	46	-1.0	-56.42	352.93	4.03	-52.39
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1(C3=NN=N[N-]3)CCC1)=C2	REAL300019868223	1	46	-1.0	-56.40	353.00	4.03	-52.37
CC1=CC(F)=C(Br)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868224	0	33	-1.0	-44.70	294.71	4.86	-39.84
CC1=CC(F)=C(Br)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868224	1	33	-1.0	-44.68	294.77	4.87	-39.81
CC1=CC(F)=CC=C1C(NCC(F)(F)F)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868225	0	44	-1.0	-54.99	370.16	3.97	-51.02
CC1=CC(F)=CC=C1C(NCC(F)(F)F)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868225	1	44	-1.0	-55.03	370.23	3.96	-51.07
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC2(C3=N[N-]N=N3)CCC2)[C@H](C2CC2)C1	REAL300019868226	0	54	-1.0	-49.74	411.25	5.58	-44.16
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC2(C3=NN=N[N-]3)CCC2)[C@H](C2CC2)C1	REAL300019868226	1	54	-1.0	-49.77	411.31	5.58	-44.19
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868227	0	54	-1.0	-54.29	409.97	4.41	-49.88
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868227	1	54	-1.0	-54.25	410.03	4.42	-49.83
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868228	0	51	-1.0	-49.71	389.49	7.78	-41.93
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868228	1	51	-1.0	-49.69	389.56	7.78	-41.91
CN1N=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C1=CC=C(Cl)C=C1	REAL300019868229	0	40	-1.0	-53.29	347.07	5.05	-48.24
CN1N=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C1=CC=C(Cl)C=C1	REAL300019868229	1	40	-1.0	-53.24	347.01	5.04	-48.20
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C2SCCCC2=C1	REAL300019868230	0	38	-1.0	-51.22	314.50	5.71	-45.51
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C2SCCCC2=C1	REAL300019868230	1	38	-1.0	-51.22	314.57	5.70	-45.52
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COC(=O)CCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019868232	0	42	-1.0	-55.02	350.29	5.77	-49.25
COC(=O)CCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019868232	1	42	-1.0	-55.01	350.35	5.76	-49.25
CC(C)=CCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1F	REAL300019868233	0	43	-1.0	-49.61	351.38	6.93	-42.68
CC(C)=CCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1F	REAL300019868233	1	43	-1.0	-49.61	351.45	6.92	-42.69
O=C(CC1=C(Br)N2C=CC=CC2=N1)NC1(C2=N[N-]N=N2)CCC1	REAL300019868234	0	36	-1.0	-57.00	324.09	5.09	-51.91
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O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(C=C(Cl)S2)N1	REAL300019868235	0	31	-1.0	-48.57	292.58	3.16	-45.41
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O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300019868236	0	37	-1.0	-49.47	318.50	3.08	-46.39
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300019868236	1	37	-1.0	-49.46	318.44	3.08	-46.38
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O=C(CC1=CC2=CC=CC=C2N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019868237	1	38	-1.0	-56.60	317.75	4.54	-52.06
CC1=CC2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N2CC(F)(F)F)S1	REAL300019868238	0	40	-1.0	-50.53	355.10	6.20	-44.33
CC1=CC2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)N2CC(F)(F)F)S1	REAL300019868238	1	40	-1.0	-50.55	355.17	6.20	-44.35
COC1(C(F)(F)C(=O)NC2(C3=NN=N[N-]3)CCC2)CCOCC1	REAL300019868239	0	41	-1.0	-45.58	317.47	2.07	-43.51
COC1(C(F)(F)C(=O)NC2(C3=N[N-]N=N3)CCC2)CCOCC1	REAL300019868239	1	41	-1.0	-45.58	317.40	2.07	-43.51
CC(C)(C)C1=NN(CC(=O)NC2(C3=NN=N[N-]3)CCC2)N=N1	REAL300019868240	0	40	-1.0	-57.07	330.69	1.82	-55.25
CC(C)(C)C1=NN(CC(=O)NC2(C3=N[N-]N=N3)CCC2)N=N1	REAL300019868240	1	40	-1.0	-57.06	330.63	1.83	-55.23
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300019868241	0	41	-1.0	-48.16	344.54	6.54	-41.62
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O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300019868242	0	40	-1.0	-53.35	342.76	7.45	-45.90
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300019868242	1	40	-1.0	-53.37	342.83	7.44	-45.93
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2CC2(F)F)C=C1	REAL300019868243	0	34	-1.0	-56.24	300.21	3.04	-53.20
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2CC2(F)F)C=C1	REAL300019868243	1	34	-1.0	-56.26	300.15	3.04	-53.22
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019868244	0	54	-1.0	-53.23	416.64	7.89	-45.34
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019868244	1	54	-1.0	-53.24	416.70	7.88	-45.36
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(C=C(Br)S2)N1	REAL300019868245	0	31	-1.0	-48.57	297.22	3.27	-45.30
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(C=C(Br)S2)N1	REAL300019868245	1	31	-1.0	-48.59	297.28	3.27	-45.32
O=C(NC1(C2=N[N-]N=N2)CCC1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300019868246	0	44	-1.0	-51.59	347.06	7.00	-44.59
O=C(NC1(C2=NN=N[N-]2)CCC1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300019868246	1	44	-1.0	-51.61	347.13	6.99	-44.62
CCC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Br	REAL300019868247	0	36	-1.0	-52.25	311.97	5.41	-46.84
CCC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Br	REAL300019868247	1	36	-1.0	-52.26	312.03	5.40	-46.86
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868248	0	57	-1.0	-54.57	431.91	6.04	-48.53
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868248	1	57	-1.0	-54.61	431.98	6.04	-48.57
CCCC1=C(Br)C=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300019868249	0	36	-1.0	-49.38	327.95	5.43	-43.95
CCCC1=C(Br)C=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300019868249	1	36	-1.0	-49.36	328.02	5.43	-43.93
CSC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Br	REAL300019868250	0	34	-1.0	-52.77	311.22	5.07	-47.70
CSC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Br	REAL300019868250	1	34	-1.0	-52.78	311.29	5.07	-47.71
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(N1)C(Br)=CS2	REAL300019868251	0	31	-1.0	-48.60	297.00	3.15	-45.45
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(N1)C(Br)=CS2	REAL300019868251	1	31	-1.0	-48.60	297.06	3.15	-45.45
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300019868252	0	40	-1.0	-57.70	331.44	3.98	-53.72
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300019868252	1	40	-1.0	-57.73	331.38	3.98	-53.75
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=COC2=CC(F)=CC(F)=C12	REAL300019868253	0	33	-1.0	-57.42	290.19	3.99	-53.43
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=COC2=CC(F)=CC(F)=C12	REAL300019868253	1	33	-1.0	-57.43	290.25	3.99	-53.44
CCN1C=C(OC2=CN=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=N2)C=N1	REAL300019868254	0	42	-1.0	-52.78	354.01	1.52	-51.26
CCN1C=C(OC2=CN=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=N2)C=N1	REAL300019868254	1	42	-1.0	-52.78	353.94	1.51	-51.27
N#CC1=C2N=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CN2N=C1	REAL300019868255	0	33	-1.0	-49.75	295.56	2.89	-46.86
N#CC1=C2N=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CN2N=C1	REAL300019868255	1	33	-1.0	-49.70	295.50	2.90	-46.80
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NC=C(OCC2CC2)C=C1F	REAL300019868256	0	40	-1.0	-53.04	336.57	3.67	-49.37
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NC=C(OCC2CC2)C=C1F	REAL300019868256	1	40	-1.0	-53.03	336.50	3.66	-49.37
CN1N=CC2=C1SC(C(=O)NC1(C3=NN=N[N-]3)CCC1)=C2	REAL300019868257	0	33	-1.0	-50.91	293.45	2.63	-48.28
CN1N=CC2=C1SC(C(=O)NC1(C3=N[N-]N=N3)CCC1)=C2	REAL300019868257	1	33	-1.0	-50.92	293.38	2.63	-48.29
COC1=CC=CC=C1N1C=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868258	0	41	-1.0	-54.15	344.45	5.32	-48.83
COC1=CC=CC=C1N1C=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868258	1	41	-1.0	-54.15	344.39	5.32	-48.83
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=C(C2CCOCC2)N=C1	REAL300019868259	0	42	-1.0	-48.81	337.56	2.23	-46.58
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=C(C2CCOCC2)N=C1	REAL300019868259	1	42	-1.0	-48.84	337.62	2.23	-46.61
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC(Br)=C1C	REAL300019868260	0	36	-1.0	-49.15	308.33	5.24	-43.91
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC(Br)=C1C	REAL300019868260	1	36	-1.0	-49.12	308.40	5.23	-43.89
CC(C)CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C1=CC=CC=C1	REAL300019868261	0	49	-1.0	-53.73	388.44	6.91	-46.82
CC(C)CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C1=CC=CC=C1	REAL300019868261	1	49	-1.0	-53.73	388.51	6.91	-46.82
CC1CCN(C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)CC1	REAL300019868262	0	48	-1.0	-51.81	365.49	5.39	-46.42
CC1CCN(C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)CC1	REAL300019868262	1	48	-1.0	-51.82	365.55	5.38	-46.44
C[NH+](C)C1CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)CN(C(=O)OC(C)(C)C)C1	REAL300019868263	0	59	0.0	-62.67	434.26	5.38	-57.29
C[NH+](C)C1CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CN(C(=O)OC(C)(C)C)C1	REAL300019868263	1	59	0.0	-62.71	434.33	5.37	-57.34
CC1=CC(=O)N2N=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C2N1	REAL300019868264	0	36	-1.0	-53.37	305.61	1.94	-51.43
CC1=CC(=O)N2N=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C2N1	REAL300019868264	1	36	-1.0	-53.35	305.68	1.94	-51.41
CS(=N)(=O)C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868265	0	37	-1.0	-63.85	317.99	0.33	-63.52
CS(=N)(=O)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868265	1	37	-1.0	-63.91	318.06	0.32	-63.59
COC1=CC=C(C(C)C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300019868266	0	40	-1.0	-51.56	328.20	4.10	-47.46
COC1=CC=C(C(C)C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300019868266	1	40	-1.0	-51.58	328.26	4.10	-47.48
COC(C(=O)NC1(C2=N[N-]N=N2)CCC1)C1CC(F)(F)C1	REAL300019868267	0	37	-1.0	-51.10	308.53	3.50	-47.60
COC(C(=O)NC1(C2=NN=N[N-]2)CCC1)C1CC(F)(F)C1	REAL300019868267	1	37	-1.0	-51.12	308.59	3.50	-47.62
COC(F)(F)C(F)(F)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019868268	0	40	-1.0	-49.97	348.07	4.27	-45.70
COC(F)(F)C(F)(F)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019868268	1	40	-1.0	-50.00	348.14	4.26	-45.74
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300019868269	0	36	-1.0	-47.36	318.36	2.06	-45.30
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300019868269	1	36	-1.0	-47.37	318.29	2.06	-45.31
O=C(COCC1=NC(C2CC2)=NO1)NC1(C2=N[N-]N=N2)CCC1	REAL300019868270	0	39	-1.0	-60.53	334.01	1.56	-58.97
O=C(COCC1=NC(C2CC2)=NO1)NC1(C2=NN=N[N-]2)CCC1	REAL300019868270	1	39	-1.0	-60.55	334.07	1.56	-58.99
CN1CCC2=CC(CC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C21	REAL300019868271	0	42	-1.0	-53.47	335.55	3.99	-49.48
CN1CCC2=CC(CC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C21	REAL300019868271	1	42	-1.0	-53.48	335.62	3.98	-49.50
O=C(CN1C=NC(Br)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019868272	0	30	-1.0	-54.72	279.20	3.75	-50.97
O=C(CN1C=NC(Br)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019868272	1	30	-1.0	-54.71	279.13	3.75	-50.96
CCS(=O)(=O)NC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019868273	0	41	-1.0	-54.74	346.80	1.13	-53.61
CCS(=O)(=O)NC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019868273	1	41	-1.0	-54.69	346.86	1.12	-53.57
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(Br)C=CC=C2S1	REAL300019868274	0	33	-1.0	-52.67	310.84	5.51	-47.16
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(Br)C=CC=C2S1	REAL300019868274	1	33	-1.0	-52.69	310.91	5.51	-47.18
CC(C)(C)OC(=O)N[C@H](CC(=O)NC1(C2=N[N-]N=N2)CCC1)C1CCCCC1	REAL300019868275	0	59	-1.0	-57.61	433.69	5.52	-52.09
CC(C)(C)OC(=O)N[C@H](CC(=O)NC1(C2=NN=N[N-]2)CCC1)C1CCCCC1	REAL300019868275	1	59	-1.0	-57.60	433.75	5.51	-52.09
CC1CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)CN(C(=O)OC(C)(C)C)C1	REAL300019868276	0	53	-1.0	-49.32	401.64	4.97	-44.35
CC1CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CN(C(=O)OC(C)(C)C)C1	REAL300019868276	1	53	-1.0	-49.31	401.71	4.97	-44.34
O=C(NC1(C2=NN=N[N-]2)CCC1)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1	REAL300019868277	0	36	-1.0	-49.59	320.90	4.23	-45.36
O=C(NC1(C2=N[N-]N=N2)CCC1)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1	REAL300019868277	1	36	-1.0	-49.55	320.83	4.24	-45.31
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN(CCN2CCOCC2)N=N1	REAL300019868278	0	45	-1.0	-48.72	362.68	-0.81	-49.53
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN(CCN2CCOCC2)N=N1	REAL300019868278	1	45	-1.0	-48.71	362.74	-0.80	-49.51
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(C(F)(F)F)N=C1F	REAL300019868279	0	32	-1.0	-55.88	291.80	2.83	-53.05
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(C(F)(F)F)N=C1F	REAL300019868279	1	32	-1.0	-55.84	291.74	2.83	-53.01
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C2C(=NN1)N=CNC2=O	REAL300019868280	0	32	-1.0	-63.52	276.30	1.16	-62.36
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C2C(=NN1)N=CNC2=O	REAL300019868280	1	32	-1.0	-63.57	276.23	1.16	-62.41
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019868281	0	56	-1.0	-56.65	417.62	4.77	-51.88
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019868281	1	56	-1.0	-56.68	417.69	4.76	-51.92
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868282	0	54	-1.0	-48.53	414.42	5.67	-42.86
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868282	1	54	-1.0	-48.59	414.48	5.67	-42.92
CC(C)(C)OC(=O)N1CCN2C=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C2C1	REAL300019868283	0	52	-1.0	-62.28	404.14	5.43	-56.85
CC(C)(C)OC(=O)N1CCN2C=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C2C1	REAL300019868283	1	52	-1.0	-62.32	404.20	5.44	-56.88
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=COC2=C1C(O)CCC2	REAL300019868284	0	38	-1.0	-58.27	307.40	0.85	-57.42
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=COC2=C1C(O)CCC2	REAL300019868284	1	38	-1.0	-58.29	307.47	0.85	-57.44
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868285	0	48	-1.0	-48.59	381.30	4.48	-44.11
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868285	1	48	-1.0	-48.60	381.37	4.49	-44.11
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(C2=CC=CN=C2)=NO1	REAL300019868286	0	35	-1.0	-46.94	305.43	2.75	-44.19
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(C2=CC=CN=C2)=NO1	REAL300019868286	1	35	-1.0	-46.95	305.37	2.75	-44.20
O=C(NC1(C2=N[N-]N=N2)CCC1)C(O)C1=CC(F)=CC(F)=C1	REAL300019868287	0	34	-1.0	-47.99	297.50	2.23	-45.76
O=C(NC1(C2=NN=N[N-]2)CCC1)C(O)C1=CC(F)=CC(F)=C1	REAL300019868287	1	34	-1.0	-48.03	297.56	2.23	-45.80
N#CC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C(F)=C1	REAL300019868288	0	34	-1.0	-49.13	302.87	4.59	-44.54
N#CC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C(F)=C1	REAL300019868288	1	34	-1.0	-49.15	302.93	4.59	-44.56
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(Br)N=C1C(F)(F)F	REAL300019868289	0	32	-1.0	-56.41	302.20	3.28	-53.13
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(Br)N=C1C(F)(F)F	REAL300019868289	1	32	-1.0	-56.41	302.13	3.27	-53.14
O=C(CC(C1=CC=CC=C1)C(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300019868290	0	39	-1.0	-46.42	320.71	5.48	-40.94
O=C(CC(C1=CC=CC=C1)C(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300019868290	1	39	-1.0	-46.44	320.78	5.47	-40.97
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC([N+](=O)[O-])=C1Cl	REAL300019868291	0	35	-1.0	-45.14	311.24	5.13	-40.01
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC([N+](=O)[O-])=C1Cl	REAL300019868291	1	35	-1.0	-45.12	311.30	5.12	-40.00
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C2C(=O)CCCC2=N1	REAL300019868292	0	41	-1.0	-62.11	329.96	5.15	-56.96
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C2C(=O)CCCC2=N1	REAL300019868292	1	41	-1.0	-62.16	330.02	5.15	-57.01
NC1=NC(C(F)(F)C(=O)NC2(C3=NN=N[N-]3)CCC2)=CS1	REAL300019868293	0	31	-1.0	-50.09	285.43	0.89	-49.20
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CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)NC1(C3=NN=N[N-]3)CCC1)=C2	REAL300019868319	1	46	-1.0	-57.00	379.11	4.26	-52.74
CC(C)CC1=NN=C2C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=CN12	REAL300019868320	0	44	-1.0	-57.47	352.23	6.69	-50.78
CC(C)CC1=NN=C2C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=CN12	REAL300019868320	1	44	-1.0	-57.49	352.30	6.70	-50.79
COC1(C(F)(F)C(=O)NC2(C3=NN=N[N-]3)CCC2)CCC1	REAL300019868321	0	37	-1.0	-47.61	297.21	2.83	-44.78
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CCC1=CC=CC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N=C21	REAL300019868326	1	41	-1.0	-51.85	336.86	5.53	-46.32
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CC(C)(C)OC(=O)N1CCC2=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2C1	REAL300019868344	1	54	-1.0	-56.56	417.88	6.68	-49.88
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C[C@@H]1CC[C@H](C(=O)NC2(C3=NN=N[N-]3)CCC2)CN1C(=O)OC(C)(C)C	REAL300019868346	1	53	-1.0	-53.16	378.30	4.66	-48.50
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CCC1=CC2=C(OCC2)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868349	0	41	-1.0	-58.48	329.52	5.62	-52.86
CCC1=CC2=C(OCC2)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868349	1	41	-1.0	-58.53	329.58	5.62	-52.91
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CC1=C(Cl)C=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Br	REAL300019868357	0	33	-1.0	-47.67	305.43	5.13	-42.54
CC1=C(Cl)C=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Br	REAL300019868357	1	33	-1.0	-47.68	305.50	5.12	-42.56
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CC(F)(F)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868359	1	36	-1.0	-54.71	305.21	5.03	-49.68
CC1=NC=C2CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)CCC2=N1	REAL300019868360	0	41	-1.0	-50.52	327.37	3.83	-46.69
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CC1=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C(F)(F)F)=CO1	REAL300019868361	0	36	-1.0	-53.70	317.31	3.95	-49.75
CC1=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C(F)(F)F)=CO1	REAL300019868361	1	36	-1.0	-53.75	317.38	3.94	-49.81
CCC1=NC=C2CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)CCC2=N1	REAL300019868362	0	44	-1.0	-50.56	348.85	4.43	-46.13
CCC1=NC=C2CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)CCC2=N1	REAL300019868362	1	44	-1.0	-50.54	348.92	4.45	-46.09
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CN1C=CC(C23CC(CC2)C3C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300019868366	1	44	-1.0	-56.95	346.51	4.79	-52.16
CC(C)(C)C1=CC=C(N2N=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)CCC2=O)C=C1	REAL300019868367	0	53	-1.0	-47.03	417.40	6.49	-40.54
CC(C)(C)C1=CC=C(N2N=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)CCC2=O)C=C1	REAL300019868367	1	53	-1.0	-46.99	417.46	6.49	-40.50
CC1=CC2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N2CC2CC2)S1	REAL300019868368	0	44	-1.0	-48.76	367.29	7.43	-41.33
CC1=CC2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)N2CC2CC2)S1	REAL300019868368	1	44	-1.0	-48.72	367.36	7.43	-41.29
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CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868370	0	54	-1.0	-48.61	400.14	2.17	-46.44
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868370	1	54	-1.0	-48.62	400.22	2.16	-46.46
CC1=CC(F)=CC(C(C)C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868371	0	39	-1.0	-51.33	320.32	5.46	-45.87
CC1=CC(F)=CC(C(C)C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868371	1	39	-1.0	-51.37	320.38	5.46	-45.91
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868372	0	36	-1.0	-50.22	314.92	3.21	-47.01
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868372	1	36	-1.0	-50.19	314.86	3.20	-46.99
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300019868373	0	37	-1.0	-50.54	333.19	5.39	-45.15
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300019868373	1	37	-1.0	-50.60	333.26	5.39	-45.21
CC1(C)CCC2=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C(Cl)N=C2C1	REAL300019868374	0	45	-1.0	-53.44	358.03	5.55	-47.89
CC1(C)CCC2=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C(Cl)N=C2C1	REAL300019868374	1	45	-1.0	-53.43	358.09	5.55	-47.88
O=C(CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)NC1(C2=NN=N[N-]2)CCC1	REAL300019868375	0	40	-1.0	-57.11	363.80	5.24	-51.87
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O=C(CC(C1=CC=CC=C1F)C(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300019868376	1	39	-1.0	-52.52	325.66	5.52	-47.00
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CCOC1=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=NC=C1	REAL300019868379	0	39	-1.0	-54.15	337.09	3.30	-50.85
CCOC1=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=NC=C1	REAL300019868379	1	39	-1.0	-54.19	337.03	3.30	-50.89
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868380	0	45	-1.0	-47.26	353.82	2.88	-44.38
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868380	1	45	-1.0	-47.30	353.88	2.89	-44.41
COC(=O)CC[C@H](CC(=O)NC1(C2=N[N-]N=N2)CCC1)NC(=O)OC(C)(C)C	REAL300019868381	0	55	-1.0	-52.06	431.36	3.77	-48.29
COC(=O)CC[C@H](CC(=O)NC1(C2=NN=N[N-]2)CCC1)NC(=O)OC(C)(C)C	REAL300019868381	1	55	-1.0	-52.00	431.43	3.76	-48.24
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CC2CC1C1C2C1(F)F	REAL300019868382	0	38	-1.0	-48.77	297.13	4.68	-44.09
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CC2CC1C1C2C1(F)F	REAL300019868382	1	38	-1.0	-48.77	297.20	4.67	-44.10
O=C(NC1(C2=NN=N[N-]2)CCC1)C1C2CC1(C1=CN=CS1)CC2	REAL300019868383	0	40	-1.0	-51.30	328.05	4.32	-46.98
O=C(NC1(C2=N[N-]N=N2)CCC1)C1C2CC1(C1=CN=CS1)CC2	REAL300019868383	1	40	-1.0	-51.29	327.98	4.31	-46.98
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CCC2(CC1)COCCO2	REAL300019868384	0	45	-1.0	-52.91	336.48	2.79	-50.12
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CCC2(CC1)COCCO2	REAL300019868384	1	45	-1.0	-52.95	336.54	2.79	-50.16
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1(C2=N[N-]N=N2)CCC1	REAL300019868385	0	33	-1.0	-48.88	306.55	4.63	-44.25
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1(C2=NN=N[N-]2)CCC1	REAL300019868385	1	33	-1.0	-48.89	306.61	4.62	-44.27
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019868386	0	56	-1.0	-53.28	423.13	4.29	-48.99
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019868386	1	56	-1.0	-53.32	423.20	4.28	-49.04
O=C(NC1(C2=N[N-]N=N2)CCC1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300019868387	0	41	-1.0	-52.09	335.13	6.21	-45.88
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O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300019868388	0	36	-1.0	-62.30	313.08	-3.34	-65.64
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300019868388	1	36	-1.0	-62.29	313.01	-3.34	-65.63
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(CCCNC2=O)O1	REAL300019868389	0	38	-1.0	-56.13	313.46	0.85	-55.28
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(CCCNC2=O)O1	REAL300019868389	1	38	-1.0	-56.15	313.53	0.85	-55.30
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C2C=C(F)C=CC2=NN1	REAL300019868390	0	33	-1.0	-52.58	285.19	2.29	-50.29
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C2C=C(F)C=CC2=NN1	REAL300019868390	1	33	-1.0	-52.57	285.12	2.28	-50.29
O=C(NC1(C2=N[N-]N=N2)CCC1)C(O)C1=CC(F)=C(F)C=C1F	REAL300019868391	0	34	-1.0	-46.09	297.91	2.39	-43.70
O=C(NC1(C2=NN=N[N-]2)CCC1)C(O)C1=CC(F)=C(F)C=C1F	REAL300019868391	1	34	-1.0	-46.09	297.97	2.38	-43.71
O=C(NC1(C2=N[N-]N=N2)CCC1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300019868392	0	34	-1.0	-50.11	303.14	2.31	-47.80
O=C(NC1(C2=NN=N[N-]2)CCC1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300019868392	1	34	-1.0	-50.10	303.21	2.30	-47.80
CCC1=NN(C)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1Cl	REAL300019868393	0	36	-1.0	-49.41	317.70	2.93	-46.48
CCC1=NN(C)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1Cl	REAL300019868393	1	36	-1.0	-49.47	317.76	2.93	-46.54
O=C(CSC1=CC=CC(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019868394	0	34	-1.0	-52.42	301.50	4.71	-47.71
O=C(CSC1=CC=CC(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019868394	1	34	-1.0	-52.44	301.57	4.71	-47.73
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(C=C(Br)O2)N1	REAL300019868395	0	31	-1.0	-49.71	287.56	2.26	-47.45
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(C=C(Br)O2)N1	REAL300019868395	1	31	-1.0	-49.70	287.63	2.26	-47.44
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CCC(=O)N1CCC(F)(F)F	REAL300019868396	0	40	-1.0	-53.45	333.77	3.72	-49.73
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CCC(=O)N1CCC(F)(F)F	REAL300019868396	1	40	-1.0	-53.49	333.82	3.72	-49.77
CC1=C(Cl)C=C(Br)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868397	0	33	-1.0	-45.49	302.88	5.25	-40.24
CC1=C(Cl)C=C(Br)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868397	1	33	-1.0	-45.52	302.95	5.25	-40.27
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CC(=O)NC2=NC=CC=C21	REAL300019868398	0	37	-1.0	-53.42	307.18	1.59	-51.83
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CC(=O)NC2=NC=CC=C21	REAL300019868398	1	37	-1.0	-53.44	307.11	1.60	-51.84
CC1(C)CCC2=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C(Cl)N=C2C1	REAL300019868399	0	45	-1.0	-53.44	358.03	5.55	-47.89
CC1(C)CCC2=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C(Cl)N=C2C1	REAL300019868399	1	45	-1.0	-53.43	358.09	5.55	-47.88
CC1=CC(C)=C2NC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CC2=C1	REAL300019868400	0	40	-1.0	-51.38	328.06	4.78	-46.60
CC1=CC(C)=C2NC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC2=C1	REAL300019868400	1	40	-1.0	-51.43	328.00	4.78	-46.65
CC1=NC2=C(NC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)S1	REAL300019868401	0	33	-1.0	-52.97	292.39	1.39	-51.58
CC1=NC2=C(NC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)S1	REAL300019868401	1	33	-1.0	-52.99	292.45	1.40	-51.59
CC1(C)OCC2=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)NN=C21	REAL300019868402	0	38	-1.0	-48.75	310.93	0.61	-48.14
CC1(C)OCC2=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)NN=C21	REAL300019868402	1	38	-1.0	-48.78	311.00	0.61	-48.17
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(C2CCOCC2)=NN1	REAL300019868403	0	41	-1.0	-50.02	328.07	1.36	-48.66
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(C2CCOCC2)=NN1	REAL300019868403	1	41	-1.0	-50.01	328.14	1.36	-48.65
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN(C2CCCC2)N=C1	REAL300019868404	0	40	-1.0	-50.94	319.94	3.91	-47.03
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN(C2CCCC2)N=C1	REAL300019868404	1	40	-1.0	-50.92	319.88	3.92	-47.00
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NOC2=C1CC(F)(F)CC2	REAL300019868405	0	36	-1.0	-50.46	303.87	3.63	-46.83
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NOC2=C1CC(F)(F)CC2	REAL300019868405	1	36	-1.0	-50.48	303.93	3.64	-46.84
O=C(CCN1C=CC2=CC=CN=C21)NC1(C2=NN=N[N-]2)CCC1	REAL300019868406	0	39	-1.0	-55.01	325.77	5.35	-49.66
O=C(CCN1C=CC2=CC=CN=C21)NC1(C2=N[N-]N=N2)CCC1	REAL300019868406	1	39	-1.0	-54.98	325.70	5.35	-49.63
CC1=CC([N+](=O)[O-])=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300019868407	0	35	-1.0	-53.91	305.05	5.39	-48.52
CC1=CC([N+](=O)[O-])=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300019868407	1	35	-1.0	-53.92	305.11	5.40	-48.52
O=C(CS(=O)(=O)C1=CC=CC=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300019868408	0	36	-1.0	-64.32	319.97	1.22	-63.10
O=C(CS(=O)(=O)C1=CC=CC=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300019868408	1	36	-1.0	-64.31	320.03	1.22	-63.09
COC1=CC=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)NC2=N1	REAL300019868409	0	37	-1.0	-49.43	312.35	1.23	-48.20
COC1=CC=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)NC2=N1	REAL300019868409	1	37	-1.0	-49.36	312.41	1.23	-48.13
COC(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C(C)S1	REAL300019868410	0	36	-1.0	-48.76	315.76	4.00	-44.76
COC(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C(C)S1	REAL300019868410	1	36	-1.0	-48.80	315.83	4.00	-44.80
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=C(C2CCOCC2)NC1=O	REAL300019868411	0	43	-1.0	-54.81	344.38	1.40	-53.41
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=C(C2CCOCC2)NC1=O	REAL300019868411	1	43	-1.0	-54.85	344.44	1.39	-53.46
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300019868412	0	33	-1.0	-59.78	298.83	3.84	-55.94
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300019868412	1	33	-1.0	-59.74	298.77	3.84	-55.90
COC(=O)C1=CC2=C(SC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)S1	REAL300019868413	0	36	-1.0	-50.29	336.85	4.75	-45.54
COC(=O)C1=CC2=C(SC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)S1	REAL300019868413	1	36	-1.0	-50.32	336.91	4.75	-45.57
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300019868414	0	39	-1.0	-60.92	341.63	4.01	-56.91
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300019868414	1	39	-1.0	-60.89	341.70	4.01	-56.88
O=C(CSC1=CC=CC(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019868415	0	34	-1.0	-51.77	311.83	5.16	-46.61
O=C(CSC1=CC=CC(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019868415	1	34	-1.0	-51.76	311.89	5.15	-46.61
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1I	REAL300019868416	0	34	-1.0	-49.27	308.09	3.95	-45.32
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1I	REAL300019868416	1	34	-1.0	-49.29	308.15	3.95	-45.34
COCC1=CN=C(OC)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868417	0	40	-1.0	-55.68	331.89	1.05	-54.63
COCC1=CN=C(OC)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868417	1	40	-1.0	-55.59	331.82	1.04	-54.55
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868418	0	43	-1.0	-48.15	352.23	6.84	-41.31
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868418	1	43	-1.0	-48.11	352.30	6.84	-41.27
CCC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)OC2=CC=C(Br)C=C21	REAL300019868419	0	39	-1.0	-46.81	343.44	5.99	-40.82
CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)OC2=CC=C(Br)C=C21	REAL300019868419	1	39	-1.0	-46.75	343.51	6.00	-40.75
COC1=CC=C(C(C)=CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019868420	0	41	-1.0	-49.22	335.78	4.82	-44.40
COC1=CC=C(C(C)=CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019868420	1	41	-1.0	-49.27	335.84	4.81	-44.46
CC1(C)OC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2O1	REAL300019868421	0	39	-1.0	-54.41	320.06	3.81	-50.60
CC1(C)OC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2O1	REAL300019868421	1	39	-1.0	-54.37	320.13	3.80	-50.57
COC1=CC=C(C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C(F)F)C=C1	REAL300019868422	0	43	-1.0	-49.07	350.46	4.79	-44.28
COC1=CC=C(C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C(F)F)C=C1	REAL300019868422	1	43	-1.0	-49.07	350.53	4.78	-44.29
COC1=CC2=C(OCC2)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868423	0	39	-1.0	-57.32	316.13	3.47	-53.85
COC1=CC2=C(OCC2)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868423	1	39	-1.0	-57.35	316.19	3.48	-53.87
CC1=CC(=O)N(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300019868424	0	38	-1.0	-59.11	318.38	3.60	-55.51
CC1=CC(=O)N(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300019868424	1	38	-1.0	-59.05	318.45	3.59	-55.46
CC1=CSC2=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)N=CN=C12	REAL300019868425	0	34	-1.0	-48.43	300.37	3.55	-44.88
CC1=CSC2=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N=CN=C12	REAL300019868425	1	34	-1.0	-48.46	300.30	3.54	-44.92
O=C(NC1(C2=N[N-]N=N2)CCC1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300019868426	0	44	-1.0	-52.75	354.33	3.79	-48.96
O=C(NC1(C2=NN=N[N-]2)CCC1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300019868426	1	44	-1.0	-52.75	354.40	3.79	-48.96
CC(C)(C)OC(=O)NC1=CN(CC(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1	REAL300019868427	0	47	-1.0	-66.08	378.46	1.75	-64.33
CC(C)(C)OC(=O)NC1=CN(CC(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1	REAL300019868427	1	47	-1.0	-66.10	378.53	1.75	-64.35
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868428	0	51	-1.0	-58.03	401.70	3.92	-54.11
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868428	1	51	-1.0	-58.02	401.77	3.92	-54.10
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868429	0	50	-1.0	-49.78	385.61	2.94	-46.84
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868429	1	50	-1.0	-49.79	385.67	2.93	-46.86
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868430	0	50	-1.0	-46.31	398.16	3.54	-42.77
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868430	1	50	-1.0	-46.30	398.22	3.54	-42.76
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868431	0	53	-1.0	-52.16	411.98	3.83	-48.33
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868431	1	53	-1.0	-52.18	412.05	3.84	-48.34
CC(C)(C)OC(=O)NCCOCCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868432	0	50	-1.0	-50.57	398.53	1.10	-49.47
CC(C)(C)OC(=O)NCCOCCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868432	1	50	-1.0	-50.58	398.59	1.09	-49.49
O=C(CC1=NN=C2COCCN12)NC1(C2=N[N-]N=N2)CCC1	REAL300019868433	0	37	-1.0	-65.11	305.41	1.63	-63.48
O=C(CC1=NN=C2COCCN12)NC1(C2=NN=N[N-]2)CCC1	REAL300019868433	1	37	-1.0	-65.11	305.47	1.62	-63.49
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C(N)C(OC)=C1OC	REAL300019868434	0	44	-1.0	-48.22	356.87	1.07	-47.15
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C(N)C(OC)=C1OC	REAL300019868434	1	44	-1.0	-48.24	356.93	1.08	-47.16
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868435	0	32	-1.0	-43.80	292.57	2.83	-40.97
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868435	1	32	-1.0	-43.77	292.64	2.83	-40.94
NC1=CC=C(Br)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868436	0	32	-1.0	-45.34	282.77	2.37	-42.97
NC1=CC=C(Br)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868436	1	32	-1.0	-45.37	282.84	2.38	-42.99
NC1=CC=C(I)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868437	0	32	-1.0	-45.10	289.26	2.84	-42.26
NC1=CC=C(I)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868437	1	32	-1.0	-45.11	289.32	2.84	-42.27
NC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC=C1C(F)(F)F	REAL300019868438	0	35	-1.0	-48.65	296.66	2.88	-45.77
NC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC=C1C(F)(F)F	REAL300019868438	1	35	-1.0	-48.62	296.72	2.89	-45.73
CC1=CC(Br)=C(N)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868439	0	35	-1.0	-47.14	301.36	3.12	-44.02
CC1=CC(Br)=C(N)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868439	1	35	-1.0	-47.17	301.43	3.12	-44.05
NC1=C(Br)C=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868440	0	32	-1.0	-43.67	286.35	2.52	-41.15
NC1=C(Br)C=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868440	1	32	-1.0	-43.68	286.42	2.52	-41.16
NC1=C(Br)C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868441	0	32	-1.0	-47.91	280.91	2.44	-45.47
NC1=C(Br)C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868441	1	32	-1.0	-47.93	280.98	2.44	-45.49
NC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC(Cl)=C1Cl	REAL300019868442	0	32	-1.0	-45.99	290.99	2.78	-43.21
NC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC(Cl)=C1Cl	REAL300019868442	1	32	-1.0	-46.00	291.06	2.79	-43.21
NC1=C(I)C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868443	0	32	-1.0	-47.60	286.87	2.92	-44.68
NC1=C(I)C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868443	1	32	-1.0	-47.59	286.94	2.92	-44.67
NC1=C(F)C=C(Br)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868444	0	32	-1.0	-44.10	288.21	2.46	-41.64
NC1=C(F)C=C(Br)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868444	1	32	-1.0	-44.11	288.28	2.47	-41.64
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868445	0	35	-1.0	-45.16	300.17	2.74	-42.42
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868445	1	35	-1.0	-45.19	300.23	2.74	-42.45
CC1=CC(Br)=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1N	REAL300019868446	0	35	-1.0	-45.29	300.70	3.13	-42.16
CC1=CC(Br)=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1N	REAL300019868446	1	35	-1.0	-45.29	300.76	3.13	-42.16
NC1=CC(F)=C(Br)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868447	0	32	-1.0	-43.30	288.43	2.41	-40.89
NC1=CC(F)=C(Br)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868447	1	32	-1.0	-43.32	288.49	2.41	-40.91
CC1=CC(Cl)=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1N	REAL300019868448	0	35	-1.0	-45.42	296.13	3.03	-42.39
CC1=CC(Cl)=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1N	REAL300019868448	1	35	-1.0	-45.43	296.19	3.03	-42.40
CC1=CC(Cl)=C(N)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868449	0	35	-1.0	-47.25	297.27	2.98	-44.27
CC1=CC(Cl)=C(N)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868449	1	35	-1.0	-47.24	297.33	2.99	-44.25
NC1=CC(F)=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868450	0	32	-1.0	-43.40	284.02	2.31	-41.09
NC1=CC(F)=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868450	1	32	-1.0	-43.39	284.09	2.31	-41.08
NC1=C(Br)C=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868451	0	32	-1.0	-43.69	296.67	2.96	-40.73
NC1=C(Br)C=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868451	1	32	-1.0	-43.71	296.74	2.97	-40.74
CC1=CN(C2=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C(N)C=C2F)N=C1	REAL300019868452	0	42	-1.0	-46.99	345.65	3.60	-43.39
CC1=CN(C2=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C(N)C=C2F)N=C1	REAL300019868452	1	42	-1.0	-46.93	345.58	3.59	-43.34
COC1=CC(N)=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1S(C)(=O)=O	REAL300019868453	0	42	-1.0	-52.60	348.42	-0.87	-53.47
COC1=CC(N)=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1S(C)(=O)=O	REAL300019868453	1	42	-1.0	-52.61	348.48	-0.86	-53.47
CC1=C(Br)C=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1N	REAL300019868454	0	35	-1.0	-45.66	298.54	3.03	-42.63
CC1=C(Br)C=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1N	REAL300019868454	1	35	-1.0	-45.67	298.60	3.03	-42.64
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(N)=C1Cl	REAL300019868455	0	35	-1.0	-48.30	295.40	2.90	-45.40
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(N)=C1Cl	REAL300019868455	1	35	-1.0	-48.37	295.46	2.90	-45.47
NC1=C(Cl)C=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868456	0	32	-1.0	-43.77	282.26	2.39	-41.38
NC1=C(Cl)C=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868456	1	32	-1.0	-43.76	282.32	2.39	-41.37
COC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(N)=C1F	REAL300019868457	0	36	-1.0	-50.78	296.12	1.16	-49.62
COC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(N)=C1F	REAL300019868457	1	36	-1.0	-50.77	296.18	1.16	-49.61
COC1=C(F)C=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(N)=C1F	REAL300019868458	0	36	-1.0	-44.89	306.33	1.34	-43.55
COC1=C(F)C=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(N)=C1F	REAL300019868458	1	36	-1.0	-44.90	306.39	1.34	-43.56
NC1=CC(Br)=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1N	REAL300019868459	0	34	-1.0	-46.13	295.56	0.49	-45.64
NC1=CC(Br)=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1N	REAL300019868459	1	34	-1.0	-46.15	295.62	0.49	-45.66
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868460	0	32	-1.0	-43.46	293.33	2.72	-40.74
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868460	1	32	-1.0	-43.44	293.39	2.72	-40.72
NC1=CC(Br)=C(F)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868461	0	32	-1.0	-43.43	288.44	2.40	-41.03
NC1=CC(Br)=C(F)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868461	1	32	-1.0	-43.47	288.50	2.41	-41.06
COC1=CC(Br)=C(N)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868462	0	36	-1.0	-46.17	309.39	1.74	-44.43
COC1=CC(Br)=C(N)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868462	1	36	-1.0	-46.17	309.46	1.75	-44.42
NC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC(Cl)=C1F	REAL300019868463	0	32	-1.0	-46.62	283.08	2.34	-44.28
NC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC(Cl)=C1F	REAL300019868463	1	32	-1.0	-46.68	283.15	2.34	-44.34
COC1=CC(N)=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Br	REAL300019868464	0	36	-1.0	-46.25	311.24	1.73	-44.52
COC1=CC(N)=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Br	REAL300019868464	1	36	-1.0	-46.25	311.30	1.74	-44.51
NC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC(Br)=C1F	REAL300019868465	0	32	-1.0	-46.40	287.49	2.44	-43.96
NC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC(Br)=C1F	REAL300019868465	1	32	-1.0	-46.40	287.56	2.44	-43.96
COC1=CC(OC)=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(N)=C1Cl	REAL300019868466	0	40	-1.0	-50.71	341.20	0.54	-50.17
COC1=CC(OC)=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(N)=C1Cl	REAL300019868466	1	40	-1.0	-50.67	341.26	0.53	-50.14
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(Br)C(Cl)=N1	REAL300019868467	0	29	-1.0	-44.53	285.27	2.78	-41.75
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(Br)C(Cl)=N1	REAL300019868467	1	29	-1.0	-44.53	285.21	2.78	-41.75
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019868468	0	45	-1.0	-56.05	380.96	-2.06	-58.11
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019868468	1	45	-1.0	-56.03	381.02	-2.07	-58.10
O=C(CCC1=C(Br)SC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019868469	0	33	-1.0	-47.89	307.01	4.56	-43.33
O=C(CCC1=C(Br)SC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019868469	1	33	-1.0	-47.92	307.07	4.55	-43.37
CN1C=C(Br)C(=O)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868470	0	33	-1.0	-56.83	297.19	3.60	-53.23
CN1C=C(Br)C(=O)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868470	1	33	-1.0	-56.85	297.26	3.61	-53.24
CC(C)(C)OC1CC(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C1(C)C	REAL300019868471	0	52	-1.0	-53.92	389.79	5.55	-48.37
CC(C)(C)OC1CC(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C1(C)C	REAL300019868471	1	52	-1.0	-53.97	389.86	5.55	-48.42
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN=C2C(Br)=CC=CN12	REAL300019868472	0	32	-1.0	-49.00	295.53	4.39	-44.61
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN=C2C(Br)=CC=CN12	REAL300019868472	1	32	-1.0	-49.01	295.46	4.39	-44.62
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CC2=CC=CC=C2NC1=O	REAL300019868473	0	38	-1.0	-46.21	312.21	2.47	-43.74
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CC2=CC=CC=C2NC1=O	REAL300019868473	1	38	-1.0	-46.26	312.28	2.46	-43.80
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)NC2=CC=C(F)C=C21	REAL300019868474	0	37	-1.0	-49.66	309.47	4.21	-45.45
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)NC2=CC=C(F)C=C21	REAL300019868474	1	37	-1.0	-49.67	309.53	4.22	-45.45
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868475	0	37	-1.0	-51.86	312.06	5.40	-46.46
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868475	1	37	-1.0	-51.88	312.12	5.40	-46.48
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019868476	0	41	-1.0	-48.38	349.08	3.93	-44.45
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019868476	1	41	-1.0	-48.40	349.15	3.93	-44.47
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CC2CC(O)CC(C2)C1	REAL300019868477	0	44	-1.0	-54.80	322.27	2.22	-52.58
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CC2CC(O)CC(C2)C1	REAL300019868477	1	44	-1.0	-54.87	322.34	2.22	-52.65
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019868478	0	40	-2.0	-87.90	354.92	4.23	-83.67
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019868478	1	40	-2.0	-87.88	354.98	4.23	-83.65
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(N1)SC(Br)=N2	REAL300019868479	0	30	-1.0	-49.95	292.16	1.26	-48.69
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(N1)SC(Br)=N2	REAL300019868479	1	30	-1.0	-50.00	292.22	1.26	-48.74
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(C2=CC=NC=C2)=NN1	REAL300019868480	0	36	-1.0	-49.42	308.36	1.81	-47.61
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(C2=CC=NC=C2)=NN1	REAL300019868480	1	36	-1.0	-49.45	308.42	1.81	-47.64
CC1=NSC(Br)=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868481	0	29	-1.0	-45.70	282.10	2.23	-43.47
CC1=NSC(Br)=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868481	1	29	-1.0	-45.73	282.17	2.23	-43.50
CC1=CN2CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)CCC2=N1	REAL300019868482	0	40	-1.0	-50.33	318.56	4.22	-46.11
CC1=CN2CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)CCC2=N1	REAL300019868482	1	40	-1.0	-50.38	318.62	4.21	-46.17
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN2N=C(Cl)N=C2C=C1	REAL300019868483	0	32	-1.0	-51.87	290.93	3.72	-48.15
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN2N=C(Cl)N=C2C=C1	REAL300019868483	1	32	-1.0	-51.88	290.86	3.73	-48.15
COC(=O)C1=CC(OC)=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1Cl	REAL300019868484	0	40	-1.0	-56.22	344.19	3.87	-52.35
COC(=O)C1=CC(OC)=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1Cl	REAL300019868484	1	40	-1.0	-56.21	344.25	3.88	-52.33
NC1=C(Br)C=NC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868485	0	31	-1.0	-45.12	275.94	0.63	-44.49
NC1=C(Br)C=NC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868485	1	31	-1.0	-45.15	276.01	0.63	-44.52
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019868486	0	40	0.0	-74.23	312.03	1.61	-72.62
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019868486	1	40	0.0	-74.25	312.10	1.60	-72.65
O=C(CCN1CCCC2=CC=CC=C21)NC1(C2=N[N-]N=N2)CCC1	REAL300019868487	0	45	-1.0	-48.59	343.88	4.49	-44.10
O=C(CCN1CCCC2=CC=CC=C21)NC1(C2=NN=N[N-]2)CCC1	REAL300019868487	1	45	-1.0	-48.62	343.95	4.49	-44.13
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868488	0	47	-1.0	-54.35	374.11	-0.69	-55.04
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868488	1	47	-1.0	-54.38	374.17	-0.70	-55.08
NS(=O)(=O)C1=CC2=C(SC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)S1	REAL300019868489	0	35	-1.0	-53.90	337.24	-0.99	-54.89
NS(=O)(=O)C1=CC2=C(SC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)S1	REAL300019868489	1	35	-1.0	-53.88	337.31	-0.99	-54.87
COC(=O)C1C(F)(F)C12CC(C(=O)NC1(C3=N[N-]N=N3)CCC1)C2	REAL300019868490	0	40	-1.0	-51.92	339.70	4.61	-47.31
COC(=O)C1C(F)(F)C12CC(C(=O)NC1(C3=NN=N[N-]3)CCC1)C2	REAL300019868490	1	40	-1.0	-51.89	339.77	4.60	-47.29
O=C(NC1(C2=N[N-]N=N2)CCC1)C(O)CC1=CC=NC=C1Br	REAL300019868491	0	36	-1.0	-51.18	313.14	1.91	-49.27
O=C(NC1(C2=NN=N[N-]2)CCC1)C(O)CC1=CC=NC=C1Br	REAL300019868491	1	36	-1.0	-51.25	313.20	1.90	-49.35
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868492	0	47	-1.0	-54.40	374.14	-0.46	-54.86
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868492	1	47	-1.0	-54.44	374.21	-0.47	-54.91
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(Br)C(C(F)(F)F)=N1	REAL300019868493	0	32	-1.0	-44.28	304.85	3.30	-40.98
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(Br)C(C(F)(F)F)=N1	REAL300019868493	1	32	-1.0	-44.28	304.78	3.30	-40.98
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NC1(C3=N[N-]N=N3)CCC1)C2	REAL300019868494	0	51	-1.0	-58.34	366.52	4.19	-54.15
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NC1(C3=NN=N[N-]3)CCC1)C2	REAL300019868494	1	51	-1.0	-58.41	366.58	4.18	-54.23
CC1=C(I)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NO1	REAL300019868495	0	29	-1.0	-46.46	277.57	2.69	-43.77
CC1=C(I)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NO1	REAL300019868495	1	29	-1.0	-46.49	277.63	2.70	-43.79
CC(C)(C)OC(=O)N1CCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)O1	REAL300019868496	0	45	-1.0	-58.36	359.73	3.56	-54.80
CC(C)(C)OC(=O)N1CCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)O1	REAL300019868496	1	45	-1.0	-58.37	359.79	3.56	-54.81
CC(C)(C)OC(=O)NCC=C(F)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868497	0	44	-1.0	-46.15	360.41	1.65	-44.50
CC(C)(C)OC(=O)NCC=C(F)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868497	1	44	-1.0	-46.17	360.47	1.65	-44.52
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NC2(C3=N[N-]N=N3)CCC2)[C@H](O)C1	REAL300019868498	0	51	-1.0	-61.36	397.61	0.87	-60.49
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NC2(C3=NN=N[N-]3)CCC2)[C@H](O)C1	REAL300019868498	1	51	-1.0	-61.40	397.68	0.86	-60.54
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NC1(C3=N[N-]N=N3)CCC1)C2	REAL300019868499	0	51	-1.0	-58.34	366.52	4.19	-54.15
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CSC(C(=O)NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC(Cl)=C1	REAL300019868532	0	37	-1.0	-49.90	333.06	5.69	-44.21
CSC(C(=O)NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC(Cl)=C1	REAL300019868532	1	37	-1.0	-49.87	333.13	5.68	-44.19
CC1=CC2=NC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2C=C1	REAL300019868533	0	38	-1.0	-50.98	314.59	4.55	-46.43
CC1=CC2=NC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2C=C1	REAL300019868533	1	38	-1.0	-50.96	314.66	4.54	-46.42
COC1=C(F)C=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1F	REAL300019868534	0	34	-1.0	-57.10	295.69	3.08	-54.02
COC1=C(F)C=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1F	REAL300019868534	1	34	-1.0	-57.09	295.76	3.08	-54.01
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CC(C(=O)NC1(C2=N[N-]N=N2)CCC1)C(C)C1=CC=C(F)C=C1	REAL300019868542	0	42	-1.0	-51.07	333.60	5.92	-45.15
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CCN(CCC(=O)NC1(C2=NN=N[N-]2)CCC1)C(=O)OC(C)(C)C	REAL300019868603	1	49	-1.0	-50.57	384.86	4.59	-45.98
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CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868605	1	36	-1.0	-45.29	306.99	4.74	-40.55
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COC1=CC(F)=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Br	REAL300019868609	0	34	-1.0	-52.13	306.01	3.57	-48.56
COC1=CC(F)=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Br	REAL300019868609	1	34	-1.0	-52.13	306.07	3.58	-48.55
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CC(C)C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1F	REAL300019868611	0	39	-1.0	-58.81	315.05	5.47	-53.34
CC(C)C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1F	REAL300019868611	1	39	-1.0	-58.78	315.11	5.47	-53.31
CC(C)C1=CC=C(F)C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868612	0	39	-1.0	-55.77	316.41	5.51	-50.26
CC(C)C1=CC=C(F)C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868612	1	39	-1.0	-55.77	316.48	5.52	-50.25
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CC(CC(=O)NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019868615	0	43	-1.0	-47.71	357.39	5.21	-42.50
CC(CC(=O)NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019868615	1	43	-1.0	-47.72	357.46	5.20	-42.52
COC(=O)C1=CSC2=C1NC(C(=O)NC1(C3=N[N-]N=N3)CCC1)=C2	REAL300019868616	0	37	-1.0	-52.29	331.69	3.18	-49.11
COC(=O)C1=CSC2=C1NC(C(=O)NC1(C3=NN=N[N-]3)CCC1)=C2	REAL300019868616	1	37	-1.0	-52.27	331.75	3.18	-49.09
COC(=O)C1=CC2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)N2)S1	REAL300019868617	0	37	-1.0	-49.93	331.93	3.32	-46.61
COC(=O)C1=CC2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)N2)S1	REAL300019868617	1	37	-1.0	-49.94	331.99	3.32	-46.62
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019868618	0	53	-1.0	-53.34	424.47	4.64	-48.70
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019868618	1	53	-1.0	-53.34	424.54	4.64	-48.70
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868619	0	53	-1.0	-51.73	403.52	3.54	-48.19
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868619	1	53	-1.0	-51.70	403.59	3.53	-48.17
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868620	0	46	-1.0	-53.56	370.85	1.76	-51.80
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868620	1	46	-1.0	-53.60	370.91	1.75	-51.85
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C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868622	0	44	-1.0	-52.76	349.80	7.06	-45.70
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868622	1	44	-1.0	-52.77	349.87	7.06	-45.71
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868623	0	44	-1.0	-53.42	350.12	7.02	-46.40
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868623	1	44	-1.0	-53.44	350.19	7.02	-46.42
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868624	0	44	-1.0	-55.66	372.18	5.06	-50.60
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868624	1	44	-1.0	-55.69	372.25	5.06	-50.63
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O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300019868626	1	39	-1.0	-48.80	327.24	5.56	-43.24
CN1C(=O)N(CC(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1C1CC1	REAL300019868627	0	40	-1.0	-60.88	337.47	3.96	-56.92
CN1C(=O)N(CC(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1C1CC1	REAL300019868627	1	40	-1.0	-60.90	337.53	3.95	-56.95
CCN1C(C)=NN(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C1=O	REAL300019868628	0	39	-1.0	-60.72	327.98	3.43	-57.29
CCN1C(C)=NN(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C1=O	REAL300019868628	1	39	-1.0	-60.69	328.05	3.43	-57.26
O=C(NC1(C2=N[N-]N=N2)CCC1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300019868629	0	44	-1.0	-51.14	358.70	7.50	-43.64
O=C(NC1(C2=NN=N[N-]2)CCC1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300019868629	1	44	-1.0	-51.15	358.76	7.51	-43.64
CC1=CC(Cl)=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Br	REAL300019868630	0	33	-1.0	-48.84	303.65	5.22	-43.62
CC1=CC(Cl)=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Br	REAL300019868630	1	33	-1.0	-48.83	303.71	5.22	-43.61
NS(=O)(=O)C1=CSC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868631	0	32	-1.0	-58.76	299.33	-2.57	-61.33
NS(=O)(=O)C1=CSC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868631	1	32	-1.0	-58.75	299.40	-2.56	-61.31
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=C2C(=C1)C=CNC2=O	REAL300019868632	0	35	-1.0	-55.77	298.81	0.95	-54.82
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=C2C(=C1)C=CNC2=O	REAL300019868632	1	35	-1.0	-55.76	298.88	0.95	-54.81
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868633	0	44	-1.0	-65.54	362.91	5.17	-60.37
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868633	1	44	-1.0	-65.61	362.98	5.17	-60.44
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868634	0	42	-1.0	-65.16	357.99	6.44	-58.72
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868634	1	42	-1.0	-65.16	358.05	6.43	-58.73
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868635	0	50	-1.0	-47.21	390.56	1.47	-45.74
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868635	1	50	-1.0	-47.24	390.63	1.47	-45.77
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300019868636	0	53	-1.0	-57.08	418.13	3.10	-53.98
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300019868636	1	53	-1.0	-57.02	418.06	3.11	-53.91
CC(C)(C)OC(=O)N1CC(CC(=O)NC2(C3=N[N-]N=N3)CCC2)OC(C)(C)C1	REAL300019868637	0	57	-1.0	-55.55	430.40	5.23	-50.32
CC(C)(C)OC(=O)N1CC(CC(=O)NC2(C3=NN=N[N-]3)CCC2)OC(C)(C)C1	REAL300019868637	1	57	-1.0	-55.58	430.46	5.23	-50.35
CC(C(=O)NC1(C2=N[N-]N=N2)CCC1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019868638	0	53	-1.0	-49.84	403.28	4.82	-45.02
CC(C(=O)NC1(C2=NN=N[N-]2)CCC1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019868638	1	53	-1.0	-49.84	403.34	4.82	-45.02
CCC(C)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(=O)N1	REAL300019868639	0	42	-1.0	-56.14	333.46	3.37	-52.77
CCC(C)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(=O)N1	REAL300019868639	1	42	-1.0	-56.16	333.52	3.36	-52.80
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868640	0	52	-1.0	-54.41	398.37	7.61	-46.80
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868640	1	52	-1.0	-54.45	398.43	7.60	-46.85
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868641	0	40	-1.0	-52.95	338.68	5.78	-47.17
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868641	1	40	-1.0	-52.95	338.75	5.78	-47.17
O=C(NC1(C2=N[N-]N=N2)CCC1)C1COC2=CC=C(Br)C=C2C1	REAL300019868642	0	38	-1.0	-48.50	327.87	4.65	-43.85
O=C(NC1(C2=NN=N[N-]2)CCC1)C1COC2=CC=C(Br)C=C2C1	REAL300019868642	1	38	-1.0	-48.52	327.93	4.64	-43.88
CC1=CC=C(OC(C)C(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=C1	REAL300019868643	0	43	-1.0	-55.21	344.42	5.91	-49.30
CC1=CC=C(OC(C)C(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=C1	REAL300019868643	1	43	-1.0	-55.23	344.48	5.90	-49.33
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868644	0	43	-1.0	-56.84	348.66	-0.20	-57.04
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868644	1	43	-1.0	-56.86	348.73	-0.21	-57.07
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300019868645	0	36	-1.0	-53.41	309.96	6.30	-47.11
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300019868645	1	36	-1.0	-53.38	309.89	6.30	-47.08
O=C(CC1CCC2=CC(Br)=CC=C21)NC1(C2=N[N-]N=N2)CCC1	REAL300019868646	0	40	-1.0	-51.34	333.97	6.63	-44.71
O=C(CC1CCC2=CC(Br)=CC=C21)NC1(C2=NN=N[N-]2)CCC1	REAL300019868646	1	40	-1.0	-51.34	334.02	6.62	-44.72
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300019868647	0	39	-1.0	-50.90	327.78	5.20	-45.70
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300019868647	1	39	-1.0	-50.89	327.72	5.21	-45.68
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C(Cl)SC2=C1SN=N2	REAL300019868648	0	28	-1.0	-46.28	288.19	1.82	-44.46
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C(Cl)SC2=C1SN=N2	REAL300019868648	1	28	-1.0	-46.30	288.12	1.83	-44.47
COC(=O)C1=COC2=C1NC(C(=O)NC1(C3=N[N-]N=N3)CCC1)=C2	REAL300019868649	0	37	-1.0	-53.31	323.05	2.31	-51.00
COC(=O)C1=COC2=C1NC(C(=O)NC1(C3=NN=N[N-]3)CCC1)=C2	REAL300019868649	1	37	-1.0	-53.33	323.12	2.31	-51.02
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)NC2=C1	REAL300019868650	0	43	-1.0	-50.58	360.85	4.74	-45.84
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)NC2=C1	REAL300019868650	1	43	-1.0	-50.58	360.91	4.74	-45.84
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CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868684	0	55	-1.0	-46.60	393.93	4.58	-42.02
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CC(C)(C)OC(=O)N1CCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C2=CC=CC=C21	REAL300019868699	1	54	-1.0	-52.23	409.49	6.94	-45.29
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CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868701	1	52	-1.0	-54.12	400.32	5.46	-48.66
CCOC1=CC(Br)=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1N	REAL300019868702	0	39	-1.0	-46.09	332.95	2.71	-43.38
CCOC1=CC(Br)=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1N	REAL300019868702	1	39	-1.0	-46.08	333.02	2.71	-43.37
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868703	0	54	-1.0	-47.54	411.90	5.25	-42.29
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868703	1	54	-1.0	-47.54	411.96	5.25	-42.29
O=C(NC1(C2=N[N-]N=N2)CCC1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300019868704	0	37	-1.0	-54.91	322.54	6.05	-48.86
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CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868705	0	50	-1.0	-49.77	398.38	1.89	-47.88
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868705	1	50	-1.0	-49.79	398.44	1.88	-47.91
C=CCN(CCC(=O)NC1(C2=N[N-]N=N2)CCC1)C(=O)OC(C)(C)C	REAL300019868706	0	50	-1.0	-50.84	397.61	5.15	-45.69
C=CCN(CCC(=O)NC1(C2=NN=N[N-]2)CCC1)C(=O)OC(C)(C)C	REAL300019868706	1	50	-1.0	-50.84	397.67	5.14	-45.70
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868707	0	53	-1.0	-60.15	407.66	4.96	-55.19
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868707	1	53	-1.0	-60.19	407.73	4.96	-55.23
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC2=CC=CC=C21	REAL300019868708	0	39	-1.0	-51.79	309.89	6.36	-45.43
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC2=CC=CC=C21	REAL300019868708	1	39	-1.0	-51.78	309.83	6.36	-45.42
COC1=CC=CC(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300019868709	0	39	-1.0	-49.38	324.36	1.75	-47.63
COC1=CC=CC(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300019868709	1	39	-1.0	-49.39	324.43	1.74	-47.65
CN1N=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C2=C1CCOC2	REAL300019868710	0	38	-1.0	-55.41	308.90	1.27	-54.14
CN1N=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C2=C1CCOC2	REAL300019868710	1	38	-1.0	-55.44	308.97	1.28	-54.16
CN1C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC2=C1C=CS2	REAL300019868711	0	34	-1.0	-49.63	293.89	4.17	-45.46
CN1C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC2=C1C=CS2	REAL300019868711	1	34	-1.0	-49.61	293.83	4.18	-45.43
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=NN1CC(F)F	REAL300019868712	0	36	-1.0	-51.19	304.83	2.84	-48.35
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=NN1CC(F)F	REAL300019868712	1	36	-1.0	-51.17	304.89	2.84	-48.33
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=NN1C1CCC1	REAL300019868713	0	40	-1.0	-50.59	320.34	3.99	-46.60
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=NN1C1CCC1	REAL300019868713	1	40	-1.0	-50.61	320.40	3.99	-46.62
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NC2(C3=N[N-]N=N3)CCC2)CO1	REAL300019868714	0	51	-1.0	-54.79	397.99	1.12	-53.67
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NC2(C3=NN=N[N-]3)CCC2)CO1	REAL300019868714	1	51	-1.0	-54.83	398.05	1.13	-53.70
NC1=CC(CC(=O)NC2(C3=N[N-]N=N3)CCC2)=C(Br)C=C1[N+](=O)[O-]	REAL300019868715	0	37	-1.0	-53.07	334.80	3.40	-49.67
NC1=CC(CC(=O)NC2(C3=NN=N[N-]3)CCC2)=C(Br)C=C1[N+](=O)[O-]	REAL300019868715	1	37	-1.0	-53.09	334.87	3.40	-49.69
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868716	0	50	-1.0	-50.81	389.42	0.98	-49.83
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868716	1	50	-1.0	-50.79	389.36	0.99	-49.80
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019868717	0	53	-1.0	-53.00	407.67	5.06	-47.94
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019868717	1	53	-1.0	-52.99	407.73	5.06	-47.93
COC1(C(=O)NC2(C3=N[N-]N=N3)CCC2)CN(C(=O)OC(C)(C)C)C1	REAL300019868718	0	48	-1.0	-57.14	381.46	1.62	-55.52
COC1(C(=O)NC2(C3=NN=N[N-]3)CCC2)CN(C(=O)OC(C)(C)C)C1	REAL300019868718	1	48	-1.0	-57.13	381.52	1.61	-55.52
CC(C)(C)OC(=O)NC(C(=O)NC1(C2=N[N-]N=N2)CCC1)C1CC2(CCC2)C1	REAL300019868719	0	57	-1.0	-47.29	428.55	4.93	-42.36
CC(C)(C)OC(=O)NC(C(=O)NC1(C2=NN=N[N-]2)CCC1)C1CC2(CCC2)C1	REAL300019868719	1	57	-1.0	-47.26	428.61	4.92	-42.34
CC(C)(C)OC(=O)NC(C(=O)NC1(C2=N[N-]N=N2)CCC1)C1CC(C)(C)C1	REAL300019868720	0	56	-1.0	-48.23	420.13	4.16	-44.07
CC(C)(C)OC(=O)NC(C(=O)NC1(C2=NN=N[N-]2)CCC1)C1CC(C)(C)C1	REAL300019868720	1	56	-1.0	-48.26	420.20	4.15	-44.11
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868721	0	57	-1.0	-63.99	415.72	4.32	-59.67
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868721	1	57	-1.0	-63.93	415.79	4.32	-59.61
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868722	0	54	-1.0	-59.36	409.50	1.96	-57.40
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868722	1	54	-1.0	-59.33	409.57	1.97	-57.36
CC(C)(C)OC(=O)N1CCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C2C1C2(F)F	REAL300019868723	0	51	-1.0	-51.53	398.96	5.09	-46.44
CC(C)(C)OC(=O)N1CCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C2C1C2(F)F	REAL300019868723	1	51	-1.0	-51.52	399.03	5.08	-46.44
CC(C)(C)OC(=O)NC1CCCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019868724	0	56	-1.0	-54.40	414.29	4.12	-50.28
CC(C)(C)OC(=O)NC1CCCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019868724	1	56	-1.0	-54.38	414.36	4.11	-50.27
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(Cl)=C1	REAL300019868725	0	46	-1.0	-53.22	383.49	2.57	-50.65
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(Cl)=C1	REAL300019868725	1	46	-1.0	-53.20	383.55	2.57	-50.63
COC1=NN(C)C(Br)=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868726	0	34	-1.0	-54.20	312.08	-0.40	-54.60
COC1=NN(C)C(Br)=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868726	1	34	-1.0	-54.24	312.01	-0.39	-54.63
CC(=O)NC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(F)=C1	REAL300019868727	0	37	-1.0	-59.58	312.48	2.49	-57.09
CC(=O)NC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(F)=C1	REAL300019868727	1	37	-1.0	-59.57	312.55	2.50	-57.07
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868728	0	54	-1.0	-53.36	417.27	1.82	-51.54
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868728	1	54	-1.0	-53.36	417.33	1.81	-51.55
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CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)CC1	REAL300019868730	0	43	-1.0	-53.73	365.70	3.06	-50.67
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)CC1	REAL300019868730	1	43	-1.0	-53.78	365.77	3.06	-50.72
CC1=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=C(C)S1	REAL300019868731	0	36	-1.0	-51.39	325.53	5.49	-45.90
CC1=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=C(C)S1	REAL300019868731	1	36	-1.0	-51.39	325.59	5.49	-45.90
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C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1(C3=N[N-]N=N3)CCC1)C2	REAL300019868733	0	42	-1.0	-50.01	321.23	0.34	-49.67
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1(C3=NN=N[N-]3)CCC1)C2	REAL300019868733	1	42	-1.0	-50.02	321.28	0.34	-49.68
O=C(CN1C=CC2=CC(F)=CC=C21)NC1(C2=N[N-]N=N2)CCC1	REAL300019868734	0	37	-1.0	-52.49	316.24	5.74	-46.75
O=C(CN1C=CC2=CC(F)=CC=C21)NC1(C2=NN=N[N-]2)CCC1	REAL300019868734	1	37	-1.0	-52.51	316.30	5.73	-46.78
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NC1(C2=N[N-]N=N2)CCC1)C3=O	REAL300019868735	0	46	-1.0	-56.08	365.73	6.59	-49.49
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NC1(C2=NN=N[N-]2)CCC1)C3=O	REAL300019868735	1	46	-1.0	-56.02	365.80	6.58	-49.44
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1(C3=N[N-]N=N3)CCC1)=C2	REAL300019868736	0	44	-1.0	-58.60	354.52	5.38	-53.22
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1(C3=NN=N[N-]3)CCC1)=C2	REAL300019868736	1	44	-1.0	-58.61	354.58	5.39	-53.22
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019868737	0	38	-1.0	-60.14	317.46	4.41	-55.73
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019868737	1	38	-1.0	-60.12	317.53	4.42	-55.70
COC1=CC2=NC=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C2C=C1	REAL300019868738	0	39	-1.0	-51.77	317.28	3.21	-48.56
COC1=CC2=NC=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C2C=C1	REAL300019868738	1	39	-1.0	-51.75	317.22	3.21	-48.54
CCSC1CCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019868739	0	43	-1.0	-55.25	334.18	5.54	-49.71
CCSC1CCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019868739	1	43	-1.0	-55.21	334.25	5.54	-49.67
CC1=CC(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC(C)=N1	REAL300019868740	0	41	-1.0	-49.84	336.08	4.45	-45.39
CC1=CC(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC(C)=N1	REAL300019868740	1	41	-1.0	-49.88	336.15	4.44	-45.44
CC1=CC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2C=C1	REAL300019868741	0	39	-1.0	-53.49	319.42	6.43	-47.06
CC1=CC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2C=C1	REAL300019868741	1	39	-1.0	-53.45	319.35	6.44	-47.01
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CSC(Cl)=C1Cl	REAL300019868742	0	27	-1.0	-52.28	273.02	3.56	-48.72
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CSC(Cl)=C1Cl	REAL300019868742	1	27	-1.0	-52.30	273.09	3.57	-48.73
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019868743	0	42	-1.0	-57.84	345.26	2.98	-54.86
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019868743	1	42	-1.0	-57.83	345.33	2.98	-54.85
CC1=NN(C2CCC2)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868744	0	40	-1.0	-53.78	320.12	3.86	-49.92
CC1=NN(C2CCC2)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868744	1	40	-1.0	-53.79	320.18	3.86	-49.93
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019868745	0	37	-1.0	-51.25	319.38	4.74	-46.51
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019868745	1	37	-1.0	-51.27	319.32	4.74	-46.53
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O=C(NC1(C2=N[N-]N=N2)CCC1)C1CC(OC(F)(F)F)C1	REAL300019868748	0	34	-1.0	-52.40	295.45	2.03	-50.37
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CS(=O)(=O)C1=COC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868749	0	33	-1.0	-56.93	298.96	-1.01	-57.94
CS(=O)(=O)C1=COC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868749	1	33	-1.0	-56.92	299.03	-1.01	-57.93
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CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)SC(C2=NNC=N2)=N1	REAL300019868807	1	38	-1.0	-54.81	334.10	2.87	-51.94
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O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019868816	1	41	-1.0	-52.08	336.47	3.37	-48.71
CSC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1[N+](=O)[O-]	REAL300019868817	0	36	-1.0	-48.91	315.68	5.06	-43.85
CSC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1[N+](=O)[O-]	REAL300019868817	1	36	-1.0	-48.89	315.74	5.05	-43.84
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CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868835	1	52	-1.0	-63.52	408.44	1.33	-62.19
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COC1(CC(=O)NC2(C3=NN=N[N-]3)CCC2)CN(C(=O)OC(C)(C)C)C1	REAL300019868837	1	51	-1.0	-57.86	397.89	2.92	-54.94
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CC(C)(C)OC1=CC(Br)=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868852	0	43	-1.0	-50.79	353.60	5.26	-45.53
CC(C)(C)OC1=CC(Br)=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868852	1	43	-1.0	-50.78	353.66	5.25	-45.53
CN1C=C(C2=NC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CO2)C=N1	REAL300019868853	0	36	-1.0	-51.77	315.60	-0.31	-52.08
CN1C=C(C2=NC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CO2)C=N1	REAL300019868853	1	36	-1.0	-51.78	315.54	-0.31	-52.09
COC1=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)NC2=C(C)C=C1	REAL300019868854	0	41	-1.0	-54.88	336.13	3.41	-51.47
COC1=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)NC2=C(C)C=C1	REAL300019868854	1	41	-1.0	-54.87	336.19	3.41	-51.46
CCCCOC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019868855	0	46	-1.0	-51.95	370.93	5.99	-45.96
CCCCOC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019868855	1	46	-1.0	-51.97	370.99	5.99	-45.98
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300019868856	0	47	-1.0	-59.79	389.43	1.90	-57.89
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300019868856	1	47	-1.0	-59.81	389.50	1.90	-57.91
COC1=NC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2C=C1	REAL300019868857	0	39	-1.0	-51.09	325.22	2.40	-48.69
COC1=NC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2C=C1	REAL300019868857	1	39	-1.0	-51.10	325.16	2.41	-48.69
CC1=CN2C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CN=C2S1	REAL300019868858	0	33	-1.0	-53.01	289.18	3.90	-49.11
CC1=CN2C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CN=C2S1	REAL300019868858	1	33	-1.0	-52.99	289.12	3.91	-49.08
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019868859	0	40	-1.0	-49.30	348.62	4.29	-45.01
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019868859	1	40	-1.0	-49.33	348.69	4.30	-45.03
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(Cl)=C(Cl)S1	REAL300019868860	0	27	-1.0	-46.28	276.86	3.63	-42.65
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(Cl)=C(Cl)S1	REAL300019868860	1	27	-1.0	-46.29	276.93	3.63	-42.66
CC(C)(C)C1=CC=NC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868861	0	41	-1.0	-51.69	325.76	4.15	-47.54
CC(C)(C)C1=CC=NC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868861	1	41	-1.0	-51.65	325.69	4.15	-47.50
COC1CC2(C1)CCC(C(=O)NC1(C3=N[N-]N=N3)CCC1)CC2	REAL300019868862	0	47	-1.0	-51.76	354.99	4.38	-47.38
COC1CC2(C1)CCC(C(=O)NC1(C3=NN=N[N-]3)CCC1)CC2	REAL300019868862	1	47	-1.0	-51.76	355.06	4.37	-47.39
CCCC(CCC1=CC=CC=C1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868863	0	48	-1.0	-53.46	372.96	7.56	-45.90
CCCC(CCC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868863	1	48	-1.0	-53.48	373.03	7.55	-45.93
CCC(C)(C)C1CCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300019868864	0	51	-1.0	-50.68	360.74	6.24	-44.44
CCC(C)(C)C1CCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300019868864	1	51	-1.0	-50.69	360.80	6.23	-44.46
CC1=CC2=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CN=C2C=C1	REAL300019868865	0	38	-1.0	-51.08	314.67	4.54	-46.54
CC1=CC2=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CN=C2C=C1	REAL300019868865	1	38	-1.0	-51.07	314.61	4.55	-46.52
CN1C=C(C2=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=NO2)N=N1	REAL300019868866	0	35	-1.0	-56.27	309.24	1.13	-55.14
CN1C=C(C2=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=NO2)N=N1	REAL300019868866	1	35	-1.0	-56.26	309.30	1.14	-55.12
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CCC2(CC(=O)C2)CC1	REAL300019868867	0	42	-1.0	-55.96	325.18	4.53	-51.43
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CCC2(CC(=O)C2)CC1	REAL300019868867	1	42	-1.0	-55.97	325.24	4.52	-51.45
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C2OCCC(=O)C2=C1	REAL300019868868	0	37	-1.0	-60.88	307.89	3.27	-57.61
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C2OCCC(=O)C2=C1	REAL300019868868	1	37	-1.0	-60.90	307.96	3.26	-57.64
CCC(CCC1=CC=CC=C1)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868869	0	45	-1.0	-53.06	351.49	6.81	-46.25
CCC(CCC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868869	1	45	-1.0	-53.06	351.56	6.80	-46.26
COC1(C(F)(F)C(=O)NC2(C3=N[N-]N=N3)CCC2)CCCC1	REAL300019868870	0	40	-1.0	-46.58	312.14	3.74	-42.84
COC1(C(F)(F)C(=O)NC2(C3=NN=N[N-]3)CCC2)CCCC1	REAL300019868870	1	40	-1.0	-46.56	312.20	3.74	-42.82
O=C(CCC1=CC=C2CCOCC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019868871	0	44	-1.0	-50.36	351.68	5.08	-45.28
O=C(CCC1=CC=C2CCOCC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019868871	1	44	-1.0	-50.35	351.75	5.07	-45.28
O=C(NC1(C2=N[N-]N=N2)CCC1)C1CC12CCC(F)(F)CC2	REAL300019868872	0	40	-1.0	-49.32	318.83	5.20	-44.12
O=C(NC1(C2=NN=N[N-]2)CCC1)C1CC12CCC(F)(F)CC2	REAL300019868872	1	40	-1.0	-49.34	318.89	5.20	-44.14
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1Br	REAL300019868873	0	32	-1.0	-48.42	288.67	2.87	-45.55
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1Br	REAL300019868873	1	32	-1.0	-48.43	288.61	2.86	-45.57
CN(C)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1[N+](=O)[O-]	REAL300019868874	0	40	-1.0	-49.42	332.63	4.80	-44.62
CN(C)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1[N+](=O)[O-]	REAL300019868874	1	40	-1.0	-49.38	332.70	4.79	-44.59
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019868875	0	34	-1.0	-48.50	299.77	3.39	-45.11
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019868875	1	34	-1.0	-48.51	299.70	3.38	-45.13
COC(=O)C1=CSC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868876	0	33	-1.0	-56.85	299.75	3.18	-53.67
COC(=O)C1=CSC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868876	1	33	-1.0	-56.88	299.81	3.19	-53.69
CC(C)(C)C1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868877	0	41	-1.0	-49.91	323.50	4.02	-45.89
CC(C)(C)C1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868877	1	41	-1.0	-49.92	323.43	4.03	-45.89
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019868878	0	38	-1.0	-49.28	341.02	5.64	-43.64
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019868878	1	38	-1.0	-49.27	341.09	5.64	-43.63
CC(C)(C)C1=CC=NC2=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=NN21	REAL300019868879	0	44	-1.0	-62.23	349.90	4.94	-57.29
CC(C)(C)C1=CC=NC2=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=NN21	REAL300019868879	1	44	-1.0	-62.31	349.83	4.93	-57.38
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868880	0	41	-1.0	-58.33	327.05	4.78	-53.55
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868880	1	41	-1.0	-58.35	327.12	4.78	-53.57
O=C(CCC1=CC=CC(Br)=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300019868881	0	36	-1.0	-49.21	324.14	5.64	-43.57
O=C(CCC1=CC=CC(Br)=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300019868881	1	36	-1.0	-49.26	324.20	5.63	-43.63
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(C(F)F)=NN1C	REAL300019868882	0	36	-1.0	-53.96	310.42	2.41	-51.55
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(C(F)F)=NN1C	REAL300019868882	1	36	-1.0	-53.97	310.48	2.40	-51.57
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868883	0	41	-1.0	-63.98	325.82	2.03	-61.95
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868883	1	41	-1.0	-63.98	325.89	2.04	-61.94
CCC1=CC=C(C(=O)C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300019868884	0	35	-1.0	-44.70	307.45	3.98	-40.72
CCC1=CC=C(C(=O)C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300019868884	1	35	-1.0	-44.70	307.51	3.98	-40.72
COC1=CC(Br)=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300019868885	0	34	-1.0	-47.88	303.54	3.53	-44.35
COC1=CC(Br)=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300019868885	1	34	-1.0	-47.87	303.60	3.54	-44.33
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868886	0	48	-1.0	-50.47	378.78	3.09	-47.38
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868886	1	48	-1.0	-50.45	378.85	3.08	-47.37
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(C2CCCC2)=NN1	REAL300019868887	0	40	-1.0	-48.64	318.07	3.09	-45.55
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(C2CCCC2)=NN1	REAL300019868887	1	40	-1.0	-48.64	318.14	3.09	-45.55
CC1(C)OC2=CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2NC1=O	REAL300019868888	0	42	-1.0	-54.40	342.27	2.08	-52.32
CC1(C)OC2=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2NC1=O	REAL300019868888	1	42	-1.0	-54.41	342.34	2.07	-52.34
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC2=C1CCC(=O)N2	REAL300019868889	0	38	-1.0	-52.45	305.74	2.68	-49.77
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC2=C1CCC(=O)N2	REAL300019868889	1	38	-1.0	-52.52	305.81	2.69	-49.83
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300019868890	0	38	-1.0	-54.24	324.56	2.46	-51.78
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300019868890	1	38	-1.0	-54.27	324.62	2.46	-51.81
COC(=O)C1=CC=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=CC=C12	REAL300019868891	0	42	-1.0	-51.35	342.56	6.25	-45.10
COC(=O)C1=CC=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=CC=C12	REAL300019868891	1	42	-1.0	-51.32	342.50	6.25	-45.07
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN=CC2=C1CCNC2=O	REAL300019868892	0	37	-1.0	-47.33	300.99	0.18	-47.15
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN=CC2=C1CCNC2=O	REAL300019868892	1	37	-1.0	-47.31	301.06	0.18	-47.13
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=NC=C1C(F)F	REAL300019868893	0	35	-1.0	-51.19	298.91	3.22	-47.97
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=NC=C1C(F)F	REAL300019868893	1	35	-1.0	-51.19	298.97	3.22	-47.97
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC2=C(CCCNC2=O)S1	REAL300019868894	0	38	-1.0	-59.49	321.24	1.80	-57.69
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC2=C(CCCNC2=O)S1	REAL300019868894	1	38	-1.0	-59.52	321.31	1.80	-57.72
CN(C)C(=O)C1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019868895	0	39	-1.0	-58.44	319.16	1.49	-56.95
CN(C)C(=O)C1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019868895	1	39	-1.0	-58.43	319.10	1.50	-56.93
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019868896	0	34	-1.0	-50.66	306.38	2.71	-47.95
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019868896	1	34	-1.0	-50.67	306.32	2.70	-47.97
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868897	0	50	-1.0	-51.13	395.53	1.28	-49.85
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868897	1	50	-1.0	-51.17	395.59	1.28	-49.89
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NC3(C4=N[N-]N=N4)CCC3)C2)C1	REAL300019868898	0	57	-1.0	-50.70	417.93	5.97	-44.73
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)C2)C1	REAL300019868898	1	57	-1.0	-50.73	417.99	5.96	-44.77
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868899	0	53	-1.0	-62.96	400.57	4.71	-58.25
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868899	1	53	-1.0	-63.00	400.63	4.70	-58.30
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868900	0	57	-1.0	-54.59	433.67	6.54	-48.05
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868900	1	57	-1.0	-54.60	433.74	6.53	-48.07
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868901	0	50	-1.0	-49.74	382.20	3.38	-46.36
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868901	1	50	-1.0	-49.80	382.26	3.37	-46.43
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019868902	0	51	-1.0	-50.82	400.27	3.69	-47.13
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019868902	1	51	-1.0	-50.80	400.33	3.68	-47.12
COC1=CC=CC=C1OC(C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868903	0	41	-1.0	-60.12	331.37	4.32	-55.80
COC1=CC=CC=C1OC(C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868903	1	41	-1.0	-60.10	331.44	4.31	-55.79
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CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019875576	1	59	-1.0	-42.89	429.90	7.32	-35.57
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CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875578	1	59	-1.0	-40.35	451.31	3.84	-36.51
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CC(C)(C)OC(=O)C1(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)CC1(C)C	REAL300019875581	0	54	-1.0	-40.15	406.38	7.57	-32.58
CC(C)(C)OC(=O)C1(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1(C)C	REAL300019875581	1	54	-1.0	-40.16	406.44	7.58	-32.58
CC(C)(C)OC(=O)C(C(=O)N1CCC(CC2=N[N-]N=N2)CC1)C1CCCC1	REAL300019875582	0	57	-1.0	-40.82	421.53	8.36	-32.46
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CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C=N1	REAL300019875682	1	43	-1.0	-46.71	356.54	1.31	-45.40
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CC1=CN2C=CN=C2C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300019875685	0	42	-1.0	-49.69	341.86	6.67	-43.02
CC1=CN2C=CN=C2C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300019875685	1	42	-1.0	-49.70	341.80	6.66	-43.04
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COC1=CC=CC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1C	REAL300019875699	0	43	-1.0	-41.16	335.05	5.24	-35.92
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CCC1=CNC(=O)C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300019875700	0	42	-1.0	-53.14	334.43	3.64	-49.50
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CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC(CC4=N[N-]N=N4)CC3)[C@@H]2C1	REAL300019875715	0	57	-1.0	-43.53	428.26	6.74	-36.79
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC(CC4=NN=N[N-]4)CC3)[C@@H]2C1	REAL300019875715	1	57	-1.0	-43.51	428.32	6.75	-36.76
COC(=O)C=CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)O1	REAL300019875716	0	43	-1.0	-41.92	360.84	5.75	-36.17
COC(=O)C=CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300019875716	1	43	-1.0	-41.93	360.90	5.76	-36.17
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300019875717	0	52	-1.0	-44.53	398.47	9.02	-35.51
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300019875717	1	52	-1.0	-44.55	398.53	9.04	-35.51
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CCN1N=CC(Cl)=C1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875719	0	39	-1.0	-40.14	333.79	4.45	-35.69
CCN1N=CC(Cl)=C1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875719	1	39	-1.0	-40.14	333.73	4.44	-35.70
COC(=O)C1=C(C)C=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)O1	REAL300019875720	0	42	-1.0	-40.04	344.93	4.88	-35.16
COC(=O)C1=C(C)C=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300019875720	1	42	-1.0	-40.06	344.99	4.89	-35.17
COC(=O)C1=CN(CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)N=C1	REAL300019875721	0	42	-1.0	-46.47	350.59	4.32	-42.15
COC(=O)C1=CN(CC(=O)N2CCC(CC3=N[N-]N=N3)CC2)N=C1	REAL300019875721	1	42	-1.0	-46.45	350.53	4.30	-42.15
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875722	0	61	-1.0	-41.83	450.93	5.53	-36.30
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875722	1	61	-1.0	-41.87	450.99	5.55	-36.32
C[C@@H](CC(=O)N1CCC(CC2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300019875723	0	52	-1.0	-44.11	399.43	4.29	-39.82
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CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019875724	0	54	-1.0	-41.78	410.04	4.63	-37.15
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019875724	1	54	-1.0	-41.75	410.10	4.64	-37.11
CN1C=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C(C2=CC=CO2)=N1	REAL300019875725	0	43	-1.0	-52.82	355.12	4.74	-48.08
CN1C=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C(C2=CC=CO2)=N1	REAL300019875725	1	43	-1.0	-52.81	355.06	4.73	-48.08
NC(=O)C1=CC=C(C=CC(=O)N2CCC(CC3=N[N-]N=N3)CC2)O1	REAL300019875726	0	41	-1.0	-46.82	344.93	1.78	-45.04
NC(=O)C1=CC=C(C=CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300019875726	1	41	-1.0	-46.83	344.99	1.80	-45.03
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)OC(S(N)(=O)=O)=C1	REAL300019875727	0	41	-1.0	-47.00	344.57	-0.87	-47.87
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)OC(S(N)(=O)=O)=C1	REAL300019875727	1	41	-1.0	-47.03	344.63	-0.86	-47.89
CSC1=CC=C(O)C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300019875728	0	41	-1.0	-44.98	339.41	4.14	-40.84
CSC1=CC=C(O)C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300019875728	1	41	-1.0	-45.01	339.47	4.16	-40.85
CCCCC(C(=O)N1CCC(CC2=N[N-]N=N2)CC1)C(C)C	REAL300019875729	0	50	-1.0	-37.63	357.96	6.92	-30.71
CCCCC(C(=O)N1CCC(CC2=NN=N[N-]2)CC1)C(C)C	REAL300019875729	1	50	-1.0	-37.62	358.02	6.93	-30.69
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875730	0	54	-1.0	-48.41	407.46	6.39	-42.02
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875730	1	54	-1.0	-48.44	407.52	6.41	-42.03
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N#CCC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019884206	0	40	-1.0	-59.87	332.15	6.38	-53.49
N#CCC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019884206	1	40	-1.0	-59.88	332.22	6.38	-53.50
CC(C)(C)SCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884207	0	48	-1.0	-46.46	376.13	7.22	-39.24
CC(C)(C)SCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884207	1	48	-1.0	-46.46	376.19	7.23	-39.23
CC(C)CC1=CC=C(CCCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019884208	0	57	-1.0	-45.84	437.73	10.47	-35.37
CC(C)CC1=CC=C(CCCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019884208	1	57	-1.0	-45.80	437.79	10.49	-35.31
CC1=NOC(C)=C1C(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884209	0	47	-1.0	-44.52	359.90	6.04	-38.48
CC1=NOC(C)=C1C(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884209	1	47	-1.0	-44.53	359.96	6.06	-38.47
CC(C)(CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300019884210	0	51	-1.0	-45.82	382.50	8.38	-37.44
CC(C)(CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019884210	1	51	-1.0	-45.80	382.57	8.38	-37.42
COC1=CC=C(CCCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(OC)=C1	REAL300019884211	0	53	-1.0	-49.34	414.33	6.44	-42.90
COC1=CC=C(CCCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(OC)=C1	REAL300019884211	1	53	-1.0	-49.33	414.39	6.46	-42.87
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019884212	0	45	-1.0	-65.48	370.55	3.56	-61.92
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019884212	1	45	-1.0	-65.51	370.62	3.56	-61.95
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019884213	0	44	-1.0	-60.30	358.01	1.09	-59.21
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019884213	1	44	-1.0	-60.34	358.07	1.09	-59.25
CC1=NNC(C)=C1C(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884214	0	48	-1.0	-45.44	362.49	4.80	-40.64
CC1=NNC(C)=C1C(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884214	1	48	-1.0	-45.43	362.43	4.79	-40.64
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884215	0	46	-1.0	-49.57	358.57	5.91	-43.66
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884215	1	46	-1.0	-49.61	358.51	5.91	-43.70
O=C(C1CCCN(CC(F)(F)F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884216	0	47	-1.0	-43.15	356.50	3.67	-39.48
O=C(C1CCCN(CC(F)(F)F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884216	1	47	-1.0	-43.16	356.56	3.70	-39.46
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884217	0	42	-1.0	-58.36	342.42	5.11	-53.25
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884217	1	42	-1.0	-58.36	342.35	5.11	-53.25
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884218	0	48	-1.0	-44.32	375.64	5.27	-39.05
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884218	1	48	-1.0	-44.34	375.71	5.28	-39.06
CCC(C)N1N=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1C1CC1	REAL300019884219	0	52	-1.0	-52.32	393.74	6.90	-45.42
CCC(C)N1N=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1C1CC1	REAL300019884219	1	52	-1.0	-52.34	393.80	6.91	-45.43
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCC1	REAL300019884220	0	48	-1.0	-42.97	336.53	6.05	-36.92
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCC1	REAL300019884220	1	48	-1.0	-42.98	336.59	6.06	-36.92
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NN1C1CCCC1	REAL300019884221	0	49	-1.0	-52.95	376.48	6.34	-46.61
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NN1C1CCCC1	REAL300019884221	1	49	-1.0	-52.96	376.55	6.34	-46.62
CCC1=CSC(N2C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=N2)=N1	REAL300019884222	0	45	-1.0	-58.84	379.07	5.92	-52.92
CCC1=CSC(N2C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=N2)=N1	REAL300019884222	1	45	-1.0	-58.84	379.01	5.91	-52.93
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884223	0	42	-1.0	-75.24	343.40	6.58	-68.66
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884223	1	42	-1.0	-75.26	343.47	6.59	-68.67
C=C(C)C(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)OCC	REAL300019884224	0	46	-1.0	-44.28	361.54	5.95	-38.33
C=C(C)C(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)OCC	REAL300019884224	1	46	-1.0	-44.26	361.61	5.97	-38.29
O=C(C(C1=CC=CC=C1)C1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884225	0	46	-1.0	-44.16	361.51	8.05	-36.11
O=C(C(C1=CC=CC=C1)C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884225	1	46	-1.0	-44.21	361.57	8.06	-36.15
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=C(F)C=CC=C1F	REAL300019884226	0	42	-1.0	-44.71	333.44	6.51	-38.20
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=C(F)C=CC=C1F	REAL300019884226	1	42	-1.0	-44.77	333.51	6.52	-38.25
CC(C)C(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019884227	0	48	-1.0	-43.39	373.26	7.80	-35.59
CC(C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019884227	1	48	-1.0	-43.41	373.32	7.81	-35.60
N#CCOC1=CC=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019884228	0	44	-1.0	-58.78	364.84	6.22	-52.56
N#CCOC1=CC=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019884228	1	44	-1.0	-58.80	364.90	6.22	-52.58
CC1=CC=C(C2=NC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CS2)N1C	REAL300019884229	0	46	-1.0	-54.71	375.70	6.44	-48.27
CC1=CC=C(C2=NC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CS2)N1C	REAL300019884229	1	46	-1.0	-54.67	375.64	6.43	-48.24
CN1C(=O)CCC2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC=C21	REAL300019884230	0	47	-1.0	-55.60	366.59	6.11	-49.49
CN1C(=O)CCC2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CC=C21	REAL300019884230	1	47	-1.0	-55.61	366.65	6.12	-49.49
CC1=C(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NN1C	REAL300019884231	0	45	-1.0	-55.27	356.09	5.22	-50.05
CC1=C(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NN1C	REAL300019884231	1	45	-1.0	-55.27	356.15	5.23	-50.04
COC1CCC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019884232	0	49	-1.0	-44.67	363.84	5.63	-39.04
COC1CCC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019884232	1	49	-1.0	-44.69	363.91	5.64	-39.05
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884233	0	41	-1.0	-53.13	337.03	5.62	-47.51
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884233	1	41	-1.0	-53.06	336.96	5.62	-47.44
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884234	0	42	-1.0	-60.22	351.96	3.19	-57.03
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884234	1	42	-1.0	-60.20	351.90	3.19	-57.01
O=C(CCC1=CC(Br)=CC=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884235	0	42	-1.0	-52.04	362.26	7.67	-44.37
O=C(CCC1=CC(Br)=CC=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884235	1	42	-1.0	-52.03	362.33	7.67	-44.36
CCC(CC)N1N=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1C	REAL300019884236	0	51	-1.0	-56.09	391.99	7.12	-48.97
CCC(CC)N1N=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1C	REAL300019884236	1	51	-1.0	-56.12	392.06	7.13	-48.99
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NN1C1CCCCC1	REAL300019884237	0	52	-1.0	-55.66	395.42	7.51	-48.15
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NN1C1CCCCC1	REAL300019884237	1	52	-1.0	-55.65	395.48	7.51	-48.14
CC(CC1=CC=CC=C1Cl)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884238	0	45	-1.0	-45.54	362.66	7.66	-37.88
CC(CC1=CC=CC=C1Cl)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884238	1	45	-1.0	-45.58	362.72	7.67	-37.91
CC1=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NN1C	REAL300019884239	0	43	-1.0	-56.83	344.72	4.99	-51.84
CC1=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NN1C	REAL300019884239	1	43	-1.0	-56.83	344.78	4.99	-51.84
O=C(C1=CC=CN=C1OCC(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884240	0	42	-1.0	-67.38	352.52	3.46	-63.92
O=C(C1=CC=CN=C1OCC(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884240	1	42	-1.0	-67.37	352.45	3.45	-63.92
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884241	0	47	-1.0	-60.24	378.02	6.74	-53.50
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884241	1	47	-1.0	-60.27	378.08	6.75	-53.52
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC=C1F	REAL300019884242	0	39	-1.0	-59.22	322.51	5.93	-53.29
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC=C1F	REAL300019884242	1	39	-1.0	-59.25	322.56	5.94	-53.31
COCC1=NC(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019884243	0	42	-1.0	-52.61	349.01	2.74	-49.87
COCC1=NC(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019884243	1	42	-1.0	-52.61	349.07	2.75	-49.86
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)NC(C2=CC(C)=CC=C2)=N1	REAL300019884244	0	49	-1.0	-53.90	389.61	7.39	-46.51
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)NC(C2=CC(C)=CC=C2)=N1	REAL300019884244	1	49	-1.0	-53.96	389.67	7.39	-46.57
CC(C)(C)S(=O)(=O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884245	0	44	-1.0	-59.23	350.36	2.28	-56.95
CC(C)(C)S(=O)(=O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884245	1	44	-1.0	-59.22	350.43	2.29	-56.93
COC1=CC=CC=C1SCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884246	0	44	-1.0	-59.45	361.34	6.07	-53.38
COC1=CC=CC=C1SCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884246	1	44	-1.0	-59.45	361.41	6.07	-53.38
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884247	0	45	-1.0	-44.46	365.87	7.77	-36.69
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884247	1	45	-1.0	-44.44	365.94	7.78	-36.66
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884248	0	42	-1.0	-53.96	351.80	3.10	-50.86
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884248	1	42	-1.0	-53.98	351.72	3.09	-50.89
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NN1C1=CC=NC=C1	REAL300019884249	0	45	-1.0	-53.12	361.10	5.00	-48.12
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NN1C1=CC=NC=C1	REAL300019884249	1	45	-1.0	-53.16	361.17	5.00	-48.16
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884250	0	46	-1.0	-58.12	374.55	7.67	-50.45
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884250	1	46	-1.0	-58.12	374.61	7.68	-50.44
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884251	0	48	-1.0	-57.68	395.37	6.24	-51.44
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884251	1	48	-1.0	-57.72	395.43	6.24	-51.48
CCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019884252	0	45	-1.0	-40.96	353.41	7.31	-33.65
CCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019884252	1	45	-1.0	-40.98	353.47	7.31	-33.67
CC1=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300019884253	0	45	-1.0	-58.71	361.54	7.32	-51.39
CC1=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300019884253	1	45	-1.0	-58.75	361.60	7.33	-51.42
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019884254	0	48	-1.0	-67.12	396.26	4.62	-62.50
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019884254	1	48	-1.0	-67.13	396.31	4.63	-62.50
CCSC1=CC(Cl)=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884255	0	43	-1.0	-55.65	366.32	7.53	-48.12
CCSC1=CC(Cl)=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884255	1	43	-1.0	-55.66	366.39	7.54	-48.12
CCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCC(C)CC1	REAL300019884256	0	54	-1.0	-43.39	385.82	7.94	-35.45
CCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCC(C)CC1	REAL300019884256	1	54	-1.0	-43.40	385.88	7.96	-35.44
CC(C)CN1N=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC1=O	REAL300019884257	0	49	-1.0	-48.48	380.08	5.36	-43.12
CC(C)CN1N=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1=O	REAL300019884257	1	49	-1.0	-48.46	380.14	5.36	-43.10
O=C(C1=CC=C(O)C(F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884258	0	37	-1.0	-43.35	305.38	2.38	-40.97
O=C(C1=CC=C(O)C(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884258	1	37	-1.0	-43.37	305.45	2.39	-40.98
O=C(C1=CC=C([O-])C(F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884258	1	36	-2.0	-108.89	301.80	3.14	-105.75
O=C(C1=CC=C([O-])C(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884258	1	36	-2.0	-108.96	301.86	3.14	-105.82
O=C(CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C2NC(=O)CCC2=C1	REAL300019884259	0	52	-1.0	-53.83	415.36	6.03	-47.80
O=C(CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C2NC(=O)CCC2=C1	REAL300019884259	1	52	-1.0	-53.80	415.43	6.03	-47.77
CCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCCC1	REAL300019884260	0	48	-1.0	-44.59	334.43	6.05	-38.54
CCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCCC1	REAL300019884260	1	48	-1.0	-44.60	334.48	6.06	-38.54
CC1=CC(C)=C(Br)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019884261	0	42	-1.0	-56.00	348.48	7.01	-48.99
CC1=CC(C)=C(Br)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019884261	1	42	-1.0	-56.04	348.54	7.01	-49.03
COCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300019884262	0	50	-1.0	-55.50	396.91	6.00	-49.50
COCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300019884262	1	50	-1.0	-55.55	396.98	6.00	-49.55
CNC1=NN=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019884263	0	39	-1.0	-59.34	331.90	2.46	-56.88
CNC1=NN=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019884263	1	39	-1.0	-59.38	331.96	2.47	-56.91
CCC1=CC=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019884264	0	43	-1.0	-53.45	348.95	6.50	-46.95
CCC1=CC=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019884264	1	43	-1.0	-53.44	349.01	6.51	-46.93
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884265	0	43	-1.0	-45.07	359.99	7.71	-37.36
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884265	1	43	-1.0	-45.08	360.05	7.72	-37.36
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884266	0	40	-1.0	-52.87	341.91	6.90	-45.97
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884266	1	40	-1.0	-52.86	341.97	6.91	-45.95
COC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1Cl	REAL300019884267	0	39	-1.0	-50.39	329.73	4.04	-46.35
COC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1Cl	REAL300019884267	1	39	-1.0	-50.37	329.66	4.03	-46.34
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019884268	0	47	-1.0	-47.76	368.39	7.15	-40.61
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019884268	1	47	-1.0	-47.77	368.45	7.16	-40.61
CC(C)C1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019884269	0	42	-1.0	-53.60	341.59	6.31	-47.29
CC(C)C1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019884269	1	42	-1.0	-53.62	341.66	6.31	-47.31
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884270	0	50	-1.0	-46.00	391.90	8.44	-37.56
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884270	1	50	-1.0	-46.03	391.96	8.46	-37.57
O=C(C1=C(F)C=CC=C1SC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884271	0	47	-1.0	-57.56	395.28	9.30	-48.26
O=C(C1=C(F)C=CC=C1SC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884271	1	47	-1.0	-57.60	395.29	9.30	-48.30
COC1=CC=CC=C1C(=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884272	0	42	-1.0	-54.65	343.45	5.76	-48.89
COC1=CC=CC=C1C(=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884272	1	42	-1.0	-54.68	343.51	5.77	-48.91
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884273	0	43	-1.0	-53.28	357.81	7.00	-46.28
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884273	1	43	-1.0	-53.33	357.74	6.99	-46.34
CC1=NC(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C)=N1	REAL300019884274	0	43	-1.0	-49.96	345.02	4.37	-45.59
CC1=NC(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C)=N1	REAL300019884274	1	43	-1.0	-49.97	345.08	4.37	-45.60
NC(=O)C1=NC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884275	0	39	-1.0	-69.32	318.80	1.69	-67.63
NC(=O)C1=NC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884275	1	39	-1.0	-69.35	318.73	1.69	-67.66
CN(C)C1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1	REAL300019884276	0	43	-1.0	-55.30	336.90	4.64	-50.66
CN(C)C1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1	REAL300019884276	1	43	-1.0	-55.32	336.83	4.64	-50.68
CN1CCN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1=O	REAL300019884277	0	45	-1.0	-63.51	341.95	1.26	-62.25
CN1CCN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1=O	REAL300019884277	1	45	-1.0	-63.52	342.01	1.26	-62.26
C[NH+](C)CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCCC1	REAL300019884278	0	54	0.0	-72.09	364.30	7.31	-64.78
C[NH+](C)CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCCC1	REAL300019884278	1	54	0.0	-72.12	364.37	7.33	-64.79
O=C(C1=C2SC=CC2=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884279	0	39	-1.0	-60.26	326.85	6.55	-53.71
O=C(C1=C2SC=CC2=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884279	1	39	-1.0	-60.29	326.91	6.56	-53.73
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884280	0	39	-1.0	-45.86	325.37	3.03	-42.83
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884280	1	39	-1.0	-45.81	325.30	3.03	-42.78
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1(C)C	REAL300019884281	0	50	-1.0	-45.24	376.69	6.82	-38.42
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1(C)C	REAL300019884281	1	50	-1.0	-45.26	376.75	6.83	-38.43
CCCC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CO1	REAL300019884282	0	41	-1.0	-50.65	330.42	3.30	-47.35
CCCC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CO1	REAL300019884282	1	41	-1.0	-50.64	330.48	3.31	-47.33
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884283	0	45	-1.0	-54.22	386.88	5.37	-48.85
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884283	1	45	-1.0	-54.17	386.81	5.37	-48.80
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884284	0	46	-1.0	-45.70	388.41	6.71	-38.99
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884284	1	46	-1.0	-45.71	388.45	6.71	-39.00
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=C2)=N1	REAL300019884285	0	52	-1.0	-59.61	417.38	6.67	-52.94
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C2)=N1	REAL300019884285	1	52	-1.0	-59.61	417.45	6.67	-52.94
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C2)=N1	REAL300019884285	1	53	0.0	-74.53	420.53	7.11	-67.42
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884286	0	41	-2.0	-91.60	359.31	1.39	-90.21
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884286	1	41	-2.0	-91.62	359.36	1.39	-90.23
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884287	0	40	-2.0	-92.27	335.54	2.98	-89.29
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884287	1	40	-2.0	-92.26	335.61	2.99	-89.27
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884288	0	36	-2.0	-93.38	319.66	3.76	-89.62
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884288	1	36	-2.0	-93.40	319.73	3.76	-89.64
C[N@H+](CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCCC1	REAL300019884289	0	54	0.0	-66.67	387.56	7.55	-59.12
C[N@@H+](CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCCC1	REAL300019884289	1	54	0.0	-67.11	387.55	7.55	-59.56
C[N@H+](CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCCC1	REAL300019884289	1	54	0.0	-66.65	387.62	7.56	-59.09
C[N@@H+](CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCCC1	REAL300019884289	1	54	0.0	-67.13	387.61	7.56	-59.57
CCC1CCCCC1OCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884290	0	52	-1.0	-58.14	386.67	7.62	-50.52
CCC1CCCCC1OCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884290	1	52	-1.0	-58.13	386.73	7.62	-50.51
COC1=CC=C(C(=O)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1Cl	REAL300019884291	0	42	-1.0	-53.36	361.49	5.06	-48.30
COC1=CC=C(C(=O)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1Cl	REAL300019884291	1	42	-1.0	-53.41	361.56	5.06	-48.35
CN1C=C(N2C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=CC2=O)C=N1	REAL300019884292	0	46	-1.0	-53.96	374.21	5.15	-48.81
CN1C=C(N2C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=CC2=O)C=N1	REAL300019884292	1	46	-1.0	-53.98	374.15	5.14	-48.84
CC1=NN(CC(F)F)C(C)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884293	0	45	-1.0	-55.37	373.33	5.38	-49.99
CC1=NN(CC(F)F)C(C)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884293	1	45	-1.0	-55.38	373.40	5.39	-49.99
O=C(C1=COC(C2CC2)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884294	0	39	-1.0	-50.77	318.70	3.33	-47.44
O=C(C1=COC(C2CC2)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884294	1	39	-1.0	-50.77	318.76	3.34	-47.43
O=C(CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C2OCCOC2=C1	REAL300019884295	0	53	-1.0	-58.65	421.19	6.77	-51.88
O=C(CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300019884295	1	53	-1.0	-58.65	421.25	6.79	-51.86
CC(C)(O)C(F)(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884296	0	39	-1.0	-41.90	307.78	2.49	-39.41
CC(C)(O)C(F)(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884296	1	39	-1.0	-41.92	307.84	2.50	-39.42
C=CCOC1=CC(OC)=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884297	0	48	-1.0	-60.48	383.08	5.60	-54.88
C=CCOC1=CC(OC)=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884297	1	48	-1.0	-60.48	383.15	5.60	-54.88
CC1=CN=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(O)=C1	REAL300019884298	0	39	-1.0	-41.47	316.55	2.89	-38.58
CC1=CN=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(O)=C1	REAL300019884298	1	39	-1.0	-41.43	316.62	2.90	-38.53
CC1=CN=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C([O-])=C1	REAL300019884298	1	38	-2.0	-109.38	313.01	3.82	-105.56
CC1=CN=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C([O-])=C1	REAL300019884298	1	38	-2.0	-109.37	313.08	3.83	-105.54
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884299	0	46	-1.0	-55.71	383.03	6.53	-49.18
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884299	1	46	-1.0	-55.76	383.10	6.54	-49.22
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884300	0	50	-1.0	-54.63	410.14	7.27	-47.36
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884300	1	50	-1.0	-54.66	410.20	7.27	-47.39
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884301	0	47	-1.0	-57.12	373.78	2.48	-54.64
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884301	1	47	-1.0	-57.10	373.72	2.48	-54.62
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884302	0	48	-1.0	-46.84	395.21	8.81	-38.03
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884302	1	48	-1.0	-46.83	395.27	8.81	-38.02
CN1N=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300019884303	0	40	-1.0	-57.48	334.09	2.45	-55.03
CN1N=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300019884303	1	40	-1.0	-57.42	334.02	2.44	-54.98
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019884304	0	56	-1.0	-51.44	420.54	9.33	-42.11
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019884304	1	56	-1.0	-51.43	420.60	9.35	-42.08
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)NN=C1C1=CC=CC=C1	REAL300019884305	0	46	-1.0	-51.56	365.91	6.14	-45.42
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)NN=C1C1=CC=CC=C1	REAL300019884305	1	46	-1.0	-51.60	365.97	6.15	-45.45
CC1=C(C2=CC=CC=C2)NN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884305	1	46	-1.0	-53.53	364.55	6.29	-47.24
N#CC1=CC=C(C(=O)NCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019884306	0	44	-1.0	-50.93	369.26	4.37	-46.56
N#CC1=CC=C(C(=O)NCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019884306	1	44	-1.0	-50.93	369.33	4.38	-46.55
O=C(C1=C2C=CC=NN2N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884307	0	38	-1.0	-57.71	314.04	3.29	-54.42
O=C(C1=C2C=CC=NN2N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884307	1	38	-1.0	-57.73	313.97	3.29	-54.44
CC1=CC(C)=NC(=O)N1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884308	0	44	-1.0	-67.57	352.05	3.65	-63.92
CC1=CC(C)=NC(=O)N1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884308	1	44	-1.0	-67.57	352.11	3.66	-63.91
CC1=C(Br)C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)N1	REAL300019884309	0	39	-1.0	-58.65	333.41	3.24	-55.41
CC1=C(Br)C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)N1	REAL300019884309	1	39	-1.0	-58.64	333.47	3.25	-55.39
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884310	0	44	-2.0	-82.27	349.60	1.87	-80.40
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884310	1	44	-2.0	-82.31	349.66	1.86	-80.45
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884310	1	45	-1.0	-42.03	358.79	3.38	-38.65
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019884311	0	50	-1.0	-61.51	411.74	3.24	-58.27
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019884311	1	50	-1.0	-61.55	411.80	3.25	-58.30
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)OC(C2CC2)=N1	REAL300019884312	0	42	-1.0	-50.68	337.04	3.33	-47.35
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)OC(C2CC2)=N1	REAL300019884312	1	42	-1.0	-50.75	337.10	3.34	-47.41
O=C(CC1=CC=C2COCC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884313	0	44	-1.0	-54.53	350.09	5.51	-49.02
O=C(CC1=CC=C2COCC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884313	1	44	-1.0	-54.49	350.15	5.51	-48.98
CC(CCC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884314	0	50	-1.0	-43.57	367.28	6.79	-36.78
CC(CCC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884314	1	50	-1.0	-43.55	367.34	6.80	-36.75
O=C(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019884315	0	38	-1.0	-49.30	322.54	5.26	-44.04
O=C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019884315	1	38	-1.0	-49.27	322.60	5.27	-44.00
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019884316	0	47	-1.0	-61.88	390.70	2.39	-59.49
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019884316	1	47	-1.0	-61.88	390.76	2.39	-59.49
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884317	0	43	-1.0	-56.05	360.48	7.70	-48.35
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884317	1	43	-1.0	-56.06	360.54	7.70	-48.36
CC1=NC(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1C	REAL300019884318	0	43	-1.0	-54.95	342.03	3.27	-51.68
CC1=NC(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1C	REAL300019884318	1	43	-1.0	-54.96	342.09	3.28	-51.68
CC1=CC(Br)=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019884319	0	39	-1.0	-50.92	332.62	6.48	-44.44
CC1=CC(Br)=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019884319	1	39	-1.0	-50.93	332.69	6.49	-44.44
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019884320	0	44	-1.0	-44.89	359.52	7.25	-37.64
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019884320	1	44	-1.0	-44.88	359.58	7.25	-37.63
CN1N=NC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019884321	0	41	-1.0	-54.21	331.48	3.71	-50.50
CN1N=NC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019884321	1	41	-1.0	-54.24	331.42	3.71	-50.53
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884322	0	47	-1.0	-42.35	386.43	7.79	-34.56
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884322	1	47	-1.0	-42.36	386.49	7.80	-34.56
COC1=CC=C(C2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CCC2)C=C1OC	REAL300019884323	0	54	-1.0	-45.67	407.23	6.57	-39.10
COC1=CC=C(C2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CCC2)C=C1OC	REAL300019884323	1	54	-1.0	-45.71	407.29	6.59	-39.12
CC1(C)CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCO1	REAL300019884324	0	49	-1.0	-43.82	359.19	5.24	-38.58
CC1(C)CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCO1	REAL300019884324	1	49	-1.0	-43.82	359.26	5.26	-38.56
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884325	0	44	-1.0	-55.04	366.65	6.52	-48.52
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884325	1	44	-1.0	-55.08	366.71	6.53	-48.55
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884326	0	49	-1.0	-55.41	409.21	9.10	-46.31
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884326	1	49	-1.0	-55.41	409.28	9.11	-46.30
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019884327	0	57	-1.0	-52.67	428.37	7.99	-44.68
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019884327	1	57	-1.0	-52.68	428.44	7.99	-44.69
CC1CCN(C(=O)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019884328	0	46	-1.0	-51.52	354.45	4.44	-47.08
CC1CCN(C(=O)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019884328	1	46	-1.0	-51.56	354.51	4.44	-47.12
CC1CCCN(C(=O)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019884329	0	46	-1.0	-43.63	354.33	4.39	-39.24
CC1CCCN(C(=O)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019884329	1	46	-1.0	-43.69	354.39	4.40	-39.29
O=C(C1=COC(C2CCOCC2)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884330	0	46	-1.0	-51.06	362.31	2.63	-48.43
O=C(C1=COC(C2CCOCC2)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884330	1	46	-1.0	-51.07	362.37	2.64	-48.43
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019884331	0	47	-2.0	-120.78	392.31	1.45	-119.33
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019884331	1	47	-2.0	-120.81	392.38	1.45	-119.36
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019884331	1	48	-1.0	-57.02	395.97	0.63	-56.39
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019884331	1	48	-1.0	-57.04	396.04	0.64	-56.40
CNC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300019884332	0	43	-1.0	-56.49	348.27	5.17	-51.32
CNC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300019884332	1	43	-1.0	-56.49	348.34	5.18	-51.31
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884333	0	49	-1.0	-50.74	382.50	4.97	-45.77
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884333	1	49	-1.0	-50.71	382.44	4.97	-45.74
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019884334	0	53	-1.0	-45.31	408.49	4.04	-41.27
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019884334	1	53	-1.0	-45.28	408.55	4.05	-41.23
NC(=O)C1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019884335	0	39	-1.0	-52.26	320.59	1.06	-51.20
NC(=O)C1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019884335	1	39	-1.0	-52.29	320.53	1.06	-51.23
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884336	0	47	-1.0	-61.80	390.42	9.25	-52.55
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884336	1	47	-1.0	-61.83	390.48	9.25	-52.58
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884337	0	59	-1.0	-42.27	418.33	6.97	-35.30
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884337	1	59	-1.0	-42.26	418.39	6.99	-35.27
O=C(C1=C(C2CCCC2)N=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884338	0	45	-1.0	-54.50	358.35	5.63	-48.87
O=C(C1=C(C2CCCC2)N=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884338	1	45	-1.0	-54.52	358.42	5.63	-48.89
COC1=CC=C(C(=O)CCCCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019884339	0	54	-1.0	-48.37	427.49	7.73	-40.64
COC1=CC=C(C(=O)CCCCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019884339	1	54	-1.0	-48.35	427.56	7.73	-40.62
CC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)O1	REAL300019884340	0	45	-1.0	-57.46	371.40	4.39	-53.07
CC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)O1	REAL300019884340	1	45	-1.0	-57.49	371.47	4.40	-53.09
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019884341	0	51	-1.0	-64.01	413.65	5.23	-58.78
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019884341	1	51	-1.0	-64.02	413.71	5.23	-58.79
CC1=CC(Cl)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1C	REAL300019884342	0	42	-1.0	-56.47	343.23	6.88	-49.59
CC1=CC(Cl)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1C	REAL300019884342	1	42	-1.0	-56.46	343.29	6.88	-49.58
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884343	0	41	-1.0	-50.10	329.74	5.96	-44.14
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884343	1	41	-1.0	-50.11	329.81	5.97	-44.14
CC(C)C1CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCO1	REAL300019884344	0	52	-1.0	-43.77	383.47	6.21	-37.56
CC(C)C1CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCO1	REAL300019884344	1	52	-1.0	-43.75	383.53	6.22	-37.53
CC1=C(C(=O)NCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CO1	REAL300019884345	0	43	-1.0	-51.49	350.10	2.76	-48.73
CC1=C(C(=O)NCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CO1	REAL300019884345	1	43	-1.0	-51.51	350.17	2.77	-48.74
CCOC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CO1	REAL300019884346	0	39	-1.0	-49.15	320.09	1.39	-47.76
CCOC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CO1	REAL300019884346	1	39	-1.0	-49.12	320.02	1.39	-47.73
O=C(CSC1=NN=C2C=CC=CN21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884347	0	42	-1.0	-57.58	358.00	7.24	-50.34
O=C(CSC1=NN=C2C=CC=CN21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884347	1	42	-1.0	-57.60	357.94	7.24	-50.36
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)S2)O1	REAL300019884348	0	43	-1.0	-53.70	364.20	6.96	-46.74
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)S2)O1	REAL300019884348	1	43	-1.0	-53.73	364.26	6.96	-46.77
CCC1=NN=C(C)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884349	0	43	-1.0	-51.89	340.82	4.29	-47.60
CCC1=NN=C(C)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884349	1	43	-1.0	-51.88	340.89	4.30	-47.58
CCC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C)N=N1	REAL300019884350	0	43	-1.0	-51.82	342.13	4.33	-47.49
CCC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C)N=N1	REAL300019884350	1	43	-1.0	-51.83	342.20	4.33	-47.50
CC(C)(C)N1N=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019886202	0	43	-1.0	-52.53	343.54	3.50	-49.03
CC(C)(C)N1N=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019886202	1	43	-1.0	-52.49	343.47	3.50	-48.99
O=C(CC12CCCCC1C2(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886203	0	46	-1.0	-48.30	350.09	6.98	-41.32
O=C(CC12CCCCC1C2(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886203	1	46	-1.0	-48.28	350.15	6.98	-41.30
CC1=CC(Br)=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1C	REAL300019886204	0	42	-1.0	-50.49	345.94	6.97	-43.52
CC1=CC(Br)=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1C	REAL300019886204	1	42	-1.0	-50.49	346.01	6.97	-43.52
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886205	0	52	-1.0	-43.33	382.13	8.23	-35.10
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886205	1	52	-1.0	-43.33	382.19	8.25	-35.08
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886206	0	50	-1.0	-47.09	391.42	7.64	-39.45
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886206	1	50	-1.0	-47.12	391.49	7.66	-39.46
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886207	0	53	-1.0	-56.68	425.38	9.50	-47.18
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886207	1	53	-1.0	-56.70	425.44	9.50	-47.20
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886208	0	39	-1.0	-59.76	329.89	5.42	-54.34
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886208	1	39	-1.0	-59.75	329.82	5.42	-54.33
CC(=O)NC(CCC(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886209	0	51	-1.0	-54.77	383.82	5.56	-49.21
CC(=O)NC(CCC(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886209	1	51	-1.0	-54.81	383.88	5.57	-49.24
COC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1C#N	REAL300019886210	0	41	-1.0	-53.69	339.62	4.92	-48.77
COC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1C#N	REAL300019886210	1	41	-1.0	-53.75	339.68	4.93	-48.82
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300019886211	0	39	-1.0	-51.29	333.44	6.47	-44.82
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300019886211	1	39	-1.0	-51.30	333.51	6.47	-44.83
CC1=CC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)N=CN2C=C1	REAL300019886212	0	42	-1.0	-62.90	335.87	7.99	-54.91
CC1=CC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)N=CN2C=C1	REAL300019886212	1	42	-1.0	-62.90	335.81	7.98	-54.92
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886213	0	38	-1.0	-56.44	338.65	5.16	-51.28
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886213	1	38	-1.0	-56.42	338.58	5.16	-51.26
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886214	0	41	-1.0	-56.04	335.84	5.71	-50.33
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886214	1	41	-1.0	-56.07	335.77	5.70	-50.37
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886215	0	39	-1.0	-52.82	354.39	6.59	-46.23
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886215	1	39	-1.0	-52.81	354.33	6.59	-46.22
O=C(CCC1=CSC=C1Br)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886216	0	39	-1.0	-51.51	344.89	6.50	-45.01
O=C(CCC1=CSC=C1Br)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886216	1	39	-1.0	-51.52	344.95	6.50	-45.02
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886217	0	42	-1.0	-47.74	346.29	5.26	-42.48
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886217	1	42	-1.0	-47.74	346.22	5.24	-42.50
N#CC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCCC1	REAL300019886218	0	46	-1.0	-55.04	346.26	6.19	-48.85
N#CC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCCC1	REAL300019886218	1	46	-1.0	-55.05	346.32	6.19	-48.86
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886219	0	38	-1.0	-56.12	336.03	5.07	-51.05
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886219	1	38	-1.0	-56.14	335.96	5.06	-51.08
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886220	0	50	-1.0	-47.49	397.38	7.11	-40.38
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886220	1	50	-1.0	-47.52	397.44	7.12	-40.40
O=C(C1=CN=NN1C1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886221	0	42	-1.0	-50.87	337.01	4.92	-45.95
O=C(C1=CN=NN1C1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886221	1	42	-1.0	-50.86	336.95	4.91	-45.95
CC(C)C1=CC=C(C2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CCCCC2)C=C1	REAL300019886222	0	61	-1.0	-42.81	433.57	10.18	-32.63
CC(C)C1=CC=C(C2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CCCCC2)C=C1	REAL300019886222	1	61	-1.0	-42.85	433.63	10.20	-32.65
CC(C)(CC(F)(F)F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886223	0	41	-1.0	-47.04	312.39	5.08	-41.96
CC(C)(CC(F)(F)F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886223	1	41	-1.0	-47.05	312.45	5.09	-41.96
O=C(C1COCC1C1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886224	0	47	-1.0	-46.14	355.82	5.80	-40.34
O=C(C1COCC1C1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886224	1	47	-1.0	-46.17	355.87	5.82	-40.35
CN1N=CC(C2CC2)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886225	0	43	-1.0	-52.07	347.08	5.19	-46.88
CN1N=CC(C2CC2)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886225	1	43	-1.0	-52.10	347.02	5.19	-46.91
CC1(C)OCC2CC21C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886226	0	44	-1.0	-45.21	323.65	3.77	-41.44
CC1(C)OCC2CC21C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886226	1	44	-1.0	-45.16	323.71	3.78	-41.38
CC1=CC(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1OC(F)(F)F	REAL300019886227	0	47	-1.0	-52.87	388.89	7.27	-45.60
CC1=CC(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300019886227	1	47	-1.0	-52.90	388.95	7.27	-45.63
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCCC(CC4=N[N-]N=N4)C3)C2=C1	REAL300019886228	0	55	-1.0	-46.21	422.53	9.11	-37.10
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCCC(CC4=NN=N[N-]4)C3)C2=C1	REAL300019886228	1	55	-1.0	-46.28	422.60	9.12	-37.16
COC1=NOC(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886229	0	42	-1.0	-51.74	343.41	2.60	-49.14
COC1=NOC(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886229	1	42	-1.0	-51.76	343.47	2.60	-49.16
O=C(C1=C2C=CNC2=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886230	0	38	-1.0	-54.90	308.26	5.14	-49.76
O=C(C1=C2C=CNC2=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886230	1	38	-1.0	-54.91	308.32	5.14	-49.77
O=C(C1=C(Cl)C=CC=C1Br)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886231	0	36	-1.0	-54.97	329.48	6.31	-48.66
O=C(C1=C(Cl)C=CC=C1Br)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886231	1	36	-1.0	-54.97	329.55	6.31	-48.66
CN1C=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL300019886232	0	39	-1.0	-56.57	323.65	3.25	-53.32
CN1C=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL300019886232	1	39	-1.0	-56.56	323.71	3.26	-53.30
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC=CC1	REAL300019886233	0	52	-1.0	-41.50	388.63	7.16	-34.34
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC=CC1	REAL300019886233	1	52	-1.0	-41.56	388.69	7.17	-34.39
CC(C)(C)OC(=O)C(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)(C)C	REAL300019886234	0	56	-1.0	-49.88	404.60	8.28	-41.60
CC(C)(C)OC(=O)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)(C)C	REAL300019886234	1	56	-1.0	-49.89	404.66	8.30	-41.59
CC(C)(C)OC(=O)C(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CC1	REAL300019886235	0	51	-1.0	-50.15	390.43	7.25	-42.90
CC(C)(C)OC(=O)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL300019886235	1	51	-1.0	-50.14	390.49	7.26	-42.88
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC2CCC1C2	REAL300019886236	0	58	-1.0	-44.01	411.76	8.04	-35.97
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC2CCC1C2	REAL300019886236	1	58	-1.0	-44.02	411.82	8.06	-35.96
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019886237	0	57	-1.0	-44.67	423.97	8.28	-36.39
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019886237	1	57	-1.0	-44.66	424.03	8.29	-36.37
C=C(C)CC(NC(C)=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886238	0	46	-1.0	-54.24	356.93	4.66	-49.58
C=C(C)CC(NC(C)=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886238	1	46	-1.0	-54.24	356.99	4.67	-49.57
COC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300019886239	0	46	-1.0	-41.14	340.03	4.69	-36.45
COC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300019886239	1	46	-1.0	-41.14	340.09	4.70	-36.44
CN1C=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300019886240	0	47	-1.0	-60.26	371.26	8.08	-52.18
CN1C=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300019886240	1	47	-1.0	-60.31	371.33	8.08	-52.23
CCCCCC1=NNC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886241	0	48	-1.0	-50.71	376.00	5.71	-45.00
CCCCCC1=NNC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886241	1	48	-1.0	-50.74	376.06	5.71	-45.03
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886242	0	46	-1.0	-47.36	355.04	3.61	-43.75
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886242	1	46	-1.0	-47.32	355.11	3.62	-43.70
CNC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CS1	REAL300019886243	0	37	-1.0	-53.33	311.55	3.10	-50.23
CNC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CS1	REAL300019886243	1	37	-1.0	-53.32	311.49	3.10	-50.22
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C)N1C1CCOCC1	REAL300019886244	0	54	-1.0	-55.82	395.51	6.41	-49.41
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C)N1C1CCOCC1	REAL300019886244	1	54	-1.0	-55.81	395.57	6.42	-49.39
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886245	0	42	-1.0	-47.28	351.70	6.44	-40.84
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886245	1	42	-1.0	-47.28	351.64	6.43	-40.85
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC(NCC(F)(F)F)=N1	REAL300019886246	0	46	-1.0	-52.14	382.32	4.97	-47.17
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC(NCC(F)(F)F)=N1	REAL300019886246	1	46	-1.0	-52.12	382.38	4.98	-47.14
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019886247	0	40	-1.0	-55.52	333.95	5.54	-49.98
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019886247	1	40	-1.0	-55.55	334.02	5.54	-50.01
CC1(C)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300019886248	0	54	-1.0	-43.68	385.98	7.54	-36.14
CC1(C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300019886248	1	54	-1.0	-43.71	386.04	7.56	-36.15
O=C(CN1C=C(C2CC2)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886249	0	43	-1.0	-62.62	345.66	5.72	-56.90
O=C(CN1C=C(C2CC2)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886249	1	43	-1.0	-62.66	345.60	5.71	-56.95
O=C(C1=CC=CC2=C1COCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886250	0	44	-1.0	-57.33	340.96	5.25	-52.08
O=C(C1=CC=CC2=C1COCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886250	1	44	-1.0	-57.37	341.03	5.25	-52.12
CC(C)(C)N1N=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1Br	REAL300019886251	0	45	-1.0	-52.92	365.05	5.16	-47.76
CC(C)(C)N1N=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1Br	REAL300019886251	1	45	-1.0	-52.92	364.99	5.16	-47.76
O=C(C1CC2(CC2(F)F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886252	0	40	-1.0	-43.98	325.37	6.01	-37.97
O=C(C1CC2(CC2(F)F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886252	1	40	-1.0	-44.02	325.43	6.02	-38.00
CC1=CC(F)=CC(C)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886253	0	42	-1.0	-50.89	339.06	6.50	-44.39
CC1=CC(F)=CC(C)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886253	1	42	-1.0	-50.91	339.13	6.51	-44.40
CN1N=CC(C2CCC2)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886254	0	46	-1.0	-52.61	363.33	5.68	-46.93
CN1N=CC(C2CCC2)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886254	1	46	-1.0	-52.61	363.27	5.68	-46.93
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(N2C=NN=N2)CC1	REAL300019886255	0	38	-1.0	-43.69	311.86	3.63	-40.06
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(N2C=NN=N2)CC1	REAL300019886255	1	38	-1.0	-43.62	311.80	3.61	-40.01
C[C@@H](C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300019886256	0	52	-1.0	-43.72	390.39	5.24	-38.48
C[C@@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300019886256	1	52	-1.0	-43.77	390.45	5.26	-38.51
COC(=O)C1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C)O1	REAL300019886257	0	42	-1.0	-49.79	349.61	4.87	-44.92
COC(=O)C1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C)O1	REAL300019886257	1	42	-1.0	-49.83	349.67	4.87	-44.96
O=C(C(CO)C1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886258	0	43	-1.0	-45.32	338.18	3.24	-42.08
O=C(C(CO)C1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886258	1	43	-1.0	-45.33	338.24	3.26	-42.07
O=C(C1CC[N@@H+]1C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886259	0	49	0.0	-64.20	360.89	6.79	-57.41
O=C(C1CC[N@H+]1C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886259	1	49	0.0	-62.85	359.01	6.69	-56.16
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886260	0	35	-1.0	-48.64	320.73	5.29	-43.35
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886260	1	35	-1.0	-48.63	320.67	5.29	-43.34
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886261	0	43	-1.0	-58.86	349.80	1.49	-57.37
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886261	1	43	-1.0	-58.91	349.86	1.50	-57.41
CCC1=CNC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019886262	0	42	-1.0	-64.15	336.01	4.27	-59.88
CCC1=CNC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019886262	1	42	-1.0	-64.18	336.07	4.28	-59.90
O=C(CC1=CN=CC2=CC=CC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886263	0	44	-1.0	-58.22	352.05	6.58	-51.64
O=C(CC1=CN=CC2=CC=CC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886263	1	44	-1.0	-58.19	352.00	6.57	-51.62
CC(=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)CN1CCOCC1	REAL300019886264	0	49	-1.0	-52.80	370.86	2.94	-49.86
CC(=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CN1CCOCC1	REAL300019886264	1	49	-1.0	-52.78	370.92	2.94	-49.84
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886265	0	38	-1.0	-52.69	322.93	0.27	-52.42
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886265	1	38	-1.0	-52.70	323.00	0.28	-52.42
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886266	0	39	-1.0	-63.58	330.08	4.33	-59.25
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886266	1	39	-1.0	-63.58	330.15	4.34	-59.24
CN(C)C1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300019886267	0	47	-1.0	-54.65	380.20	6.60	-48.05
CN(C)C1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300019886267	1	47	-1.0	-54.63	380.26	6.60	-48.03
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886268	0	40	-1.0	-53.74	344.77	6.61	-47.13
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886268	1	40	-1.0	-53.77	344.83	6.62	-47.15
CC1=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)SC(SCC(C)C)=N1	REAL300019886269	0	51	-1.0	-55.99	423.04	7.39	-48.60
CC1=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)SC(SCC(C)C)=N1	REAL300019886269	1	51	-1.0	-55.99	423.11	7.39	-48.60
O=C(C1=NN2C=CC=NC2=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886270	0	37	-1.0	-62.90	307.49	6.17	-56.73
O=C(C1=NN2C=CC=NC2=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886270	1	37	-1.0	-62.90	307.43	6.17	-56.73
CC(=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CO1	REAL300019886271	0	40	-1.0	-51.27	322.42	5.58	-45.69
CC(=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CO1	REAL300019886271	1	40	-1.0	-51.27	322.48	5.59	-45.68
COC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886272	0	43	-1.0	-51.44	348.27	5.57	-45.87
COC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886272	1	43	-1.0	-51.49	348.33	5.57	-45.92
CC1=NNC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C12	REAL300019886273	0	42	-1.0	-54.83	338.46	4.48	-50.35
CC1=NNC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C12	REAL300019886273	1	42	-1.0	-54.81	338.52	4.49	-50.32
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886274	0	41	-1.0	-60.08	340.25	5.79	-54.29
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886274	1	41	-1.0	-60.10	340.18	5.78	-54.32
NC(=O)N=NC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886275	0	42	-1.0	-56.99	351.09	0.37	-56.62
NC(=O)N=NC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886275	1	42	-1.0	-56.97	351.15	0.37	-56.60
O=C(C1=CNC(=S)N1C1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886276	0	41	-1.0	-59.43	330.76	5.33	-54.10
O=C(C1=CNC(=S)N1C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886276	1	41	-1.0	-59.45	330.83	5.34	-54.11
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886277	0	46	-1.0	-55.74	375.42	4.96	-50.78
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886277	1	46	-1.0	-55.72	375.48	4.97	-50.75
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886278	0	41	-1.0	-51.66	341.47	3.10	-48.56
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886278	1	41	-1.0	-51.66	341.41	3.09	-48.57
CC1=CC=NC=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886279	0	41	-1.0	-55.99	326.12	4.90	-51.09
CC1=CC=NC=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886279	1	41	-1.0	-55.99	326.18	4.90	-51.09
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886280	0	46	-1.0	-57.97	389.65	5.51	-52.46
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886280	1	46	-1.0	-57.99	389.72	5.51	-52.48
COCCCN1N=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CC1=O	REAL300019886281	0	48	-1.0	-51.59	386.08	3.54	-48.05
COCCCN1N=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CC1=O	REAL300019886281	1	48	-1.0	-51.59	386.15	3.54	-48.05
CC(C)(C)N1C=C(Br)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019886282	0	45	-1.0	-55.05	371.03	6.20	-48.85
CC(C)(C)N1C=C(Br)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019886282	1	45	-1.0	-55.08	370.97	6.20	-48.88
O=C(C1=C2C=CSC2=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886283	0	37	-1.0	-50.43	312.46	5.33	-45.10
O=C(C1=C2C=CSC2=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886283	1	37	-1.0	-50.40	312.40	5.33	-45.07
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886284	0	53	-1.0	-50.80	375.60	6.47	-44.33
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886284	1	53	-1.0	-50.79	375.66	6.49	-44.30
O=C(C1=CC=NN1C(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886285	0	36	-1.0	-54.30	298.67	3.08	-51.22
O=C(C1=CC=NN1C(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886285	1	36	-1.0	-54.34	298.60	3.08	-51.26
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886286	0	38	-1.0	-62.85	315.69	2.65	-60.20
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886286	1	38	-1.0	-62.85	315.63	2.64	-60.21
CC(C)(C)OC(=O)CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCOCC1	REAL300019886287	0	58	-1.0	-51.58	412.71	6.30	-45.28
CC(C)(C)OC(=O)CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCOCC1	REAL300019886287	1	58	-1.0	-51.57	412.78	6.31	-45.26
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC=C21	REAL300019886288	0	50	-1.0	-56.17	393.26	6.65	-49.52
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CC=C21	REAL300019886288	1	50	-1.0	-56.19	393.32	6.65	-49.54
CC(C)C1=CC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886289	0	45	-1.0	-55.40	346.71	7.03	-48.37
CC(C)C1=CC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886289	1	45	-1.0	-55.38	346.77	7.04	-48.34
CC1=NN(C(C)CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886290	0	45	-1.0	-44.29	352.52	5.23	-39.06
CC1=NN(C(C)CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886290	1	45	-1.0	-44.27	352.58	5.24	-39.03
O=C(CCCC1=CC=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886291	0	44	-1.0	-47.99	351.37	6.02	-41.97
O=C(CCCC1=CC=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886291	1	44	-1.0	-47.99	351.31	6.02	-41.97
O=C(C1=CC=C(CF)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886292	0	39	-1.0	-54.59	317.89	6.02	-48.57
O=C(C1=CC=C(CF)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886292	1	39	-1.0	-54.68	317.96	6.03	-48.65
COC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300019886293	0	43	-1.0	-51.92	356.84	5.60	-46.32
COC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300019886293	1	43	-1.0	-51.97	356.90	5.61	-46.36
COC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCOC1	REAL300019886294	0	44	-1.0	-48.29	336.66	3.25	-45.04
COC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCOC1	REAL300019886294	1	44	-1.0	-48.24	336.72	3.26	-44.98
CC(C)(C)N1N=NC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019886295	0	46	-1.0	-62.00	367.46	3.80	-58.20
CC(C)(C)N1N=NC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019886295	1	46	-1.0	-62.01	367.52	3.80	-58.21
O=C(C1=CC=C2COCCC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886296	0	44	-1.0	-56.08	343.65	5.32	-50.76
O=C(C1=CC=C2COCCC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886296	1	44	-1.0	-56.08	343.71	5.32	-50.76
COCCCOCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886297	0	46	-1.0	-51.56	364.77	3.14	-48.42
COCCCOCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886297	1	46	-1.0	-51.63	364.83	3.15	-48.48
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886298	0	44	-1.0	-48.95	360.68	5.18	-43.77
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886298	1	44	-1.0	-48.95	360.74	5.18	-43.77
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886299	0	39	-1.0	-52.10	343.57	7.14	-44.96
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886299	1	39	-1.0	-52.09	343.63	7.15	-44.94
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886300	0	47	-1.0	-46.89	370.19	6.82	-40.07
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886300	1	47	-1.0	-46.89	370.25	6.82	-40.07
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886301	0	45	-1.0	-55.34	366.96	6.76	-48.58
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886301	1	45	-1.0	-55.33	367.03	6.76	-48.57
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886302	0	55	-1.0	-53.87	415.96	10.02	-43.85
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886302	1	55	-1.0	-53.89	416.02	10.02	-43.87
COCC1=CN=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886303	0	42	-1.0	-55.38	339.29	3.10	-52.28
COCC1=CN=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886303	1	42	-1.0	-55.34	339.22	3.09	-52.25
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C(F)(F)F)CCCCC1	REAL300019886304	0	45	-1.0	-40.09	328.86	5.80	-34.29
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C(F)(F)F)CCCCC1	REAL300019886304	1	45	-1.0	-40.04	328.92	5.81	-34.23
CN(C)C(=O)C1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019886305	0	52	-1.0	-47.62	384.93	5.43	-42.19
CN(C)C(=O)C1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019886305	1	52	-1.0	-47.67	384.99	5.44	-42.23
CC1=C(Br)C=NC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886306	0	38	-1.0	-49.23	321.03	4.50	-44.73
CC1=C(Br)C=NC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886306	1	38	-1.0	-49.23	321.09	4.50	-44.73
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1C=CC=N1	REAL300019886307	0	42	-1.0	-48.13	317.76	4.88	-43.25
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1C=CC=N1	REAL300019886307	1	42	-1.0	-48.13	317.70	4.87	-43.26
CC(C)[C@@H](C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300019886308	0	53	-1.0	-57.08	401.50	9.15	-47.93
CC(C)[C@@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300019886308	1	53	-1.0	-57.07	401.56	9.17	-47.90
COC1=CC=C(OC(C)(C)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886309	0	50	-1.0	-45.15	373.51	5.15	-40.00
COC1=CC=C(OC(C)(C)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886309	1	50	-1.0	-45.21	373.57	5.16	-40.05
CC(C)CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300019886310	0	51	-1.0	-44.39	394.94	8.66	-35.73
CC(C)CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019886310	1	51	-1.0	-44.38	395.00	8.66	-35.72
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019886311	0	49	-1.0	-57.17	383.93	5.42	-51.75
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019886311	1	49	-1.0	-57.18	383.99	5.43	-51.75
O=C(CC1=C(Cl)C=CC=C1Br)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886312	0	39	-1.0	-52.15	346.23	7.15	-45.00
O=C(CC1=C(Cl)C=CC=C1Br)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886312	1	39	-1.0	-52.18	346.28	7.15	-45.03
COC1=CC=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1Cl	REAL300019886313	0	43	-1.0	-55.68	357.12	5.97	-49.71
COC1=CC=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1Cl	REAL300019886313	1	43	-1.0	-55.68	357.18	5.97	-49.71
O=C(C1=CN=C2CCCN12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886314	0	40	-1.0	-57.10	311.43	4.97	-52.13
O=C(C1=CN=C2CCCN12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886314	1	40	-1.0	-57.15	311.50	4.98	-52.17
CC1=NC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(N)=N1	REAL300019886315	0	39	-1.0	-48.83	313.93	2.03	-46.80
CC1=NC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(N)=N1	REAL300019886315	1	39	-1.0	-48.86	313.99	2.03	-46.83
CCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300019886316	0	55	-1.0	-46.73	410.07	6.39	-40.34
CCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300019886316	1	55	-1.0	-46.71	410.13	6.41	-40.30
O=C(CCC1CC1(Cl)Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886317	0	39	-1.0	-45.96	338.14	6.56	-39.40
O=C(CCC1CC1(Cl)Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886317	1	39	-1.0	-45.93	338.20	6.57	-39.36
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886318	0	47	-1.0	-43.59	370.83	3.93	-39.66
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886318	1	47	-1.0	-43.58	370.89	3.94	-39.64
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886319	0	46	-1.0	-54.79	376.87	6.29	-48.50
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886319	1	46	-1.0	-54.81	376.93	6.29	-48.52
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886320	0	49	-1.0	-46.18	378.85	4.08	-42.10
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886320	1	49	-1.0	-46.13	378.91	4.08	-42.05
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886321	0	56	-1.0	-54.33	422.92	6.29	-48.04
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886321	1	56	-1.0	-54.36	422.98	6.30	-48.06
O=C(CC1=CC=C(Br)C=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886322	0	39	-1.0	-55.62	340.80	6.86	-48.76
O=C(CC1=CC=C(Br)C=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886322	1	39	-1.0	-55.64	340.87	6.86	-48.78
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886323	0	42	-1.0	-62.54	347.98	5.16	-57.38
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886323	1	42	-1.0	-62.56	347.92	5.16	-57.40
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(N2C=NN=N2)CCOCC1	REAL300019886324	0	45	-1.0	-40.68	339.55	3.28	-37.40
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(N2C=NN=N2)CCOCC1	REAL300019886324	1	45	-1.0	-40.68	339.49	3.27	-37.41
CC(C)N(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019886325	0	55	-1.0	-58.44	412.90	6.81	-51.63
CC(C)N(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019886325	1	55	-1.0	-58.42	412.97	6.82	-51.60
CC(=O)C1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300019886326	0	51	-1.0	-56.57	396.28	7.71	-48.86
CC(=O)C1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300019886326	1	51	-1.0	-56.54	396.35	7.72	-48.82
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886327	0	55	0.0	-77.98	415.66	6.69	-71.29
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886327	1	55	0.0	-73.93	400.88	6.38	-67.55
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886327	1	55	0.0	-77.93	415.59	6.67	-71.26
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886327	1	55	0.0	-73.94	400.81	6.37	-67.57
NC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300019886328	0	48	-1.0	-52.72	384.98	5.76	-46.96
NC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300019886328	1	48	-1.0	-52.73	384.91	5.76	-46.97
O=C(C1=C2CCCCN2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886329	0	44	-1.0	-57.93	339.78	6.56	-51.37
O=C(C1=C2CCCCN2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886329	1	44	-1.0	-57.97	339.84	6.57	-51.40
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C2)=N1	REAL300019886330	0	49	-1.0	-62.37	390.70	8.39	-53.98
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=C2)=N1	REAL300019886330	1	49	-1.0	-62.41	390.63	8.38	-54.03
CCNC1=NC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019886331	0	40	-1.0	-54.98	332.61	3.15	-51.83
CCNC1=NC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019886331	1	40	-1.0	-54.98	332.55	3.15	-51.83
O=C(C1=CC=C(C2CC2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886332	0	43	-1.0	-54.73	337.33	7.24	-47.49
O=C(C1=CC=C(C2CC2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886332	1	43	-1.0	-54.72	337.39	7.25	-47.47
COC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCC1	REAL300019886333	0	46	-1.0	-44.96	345.09	5.81	-39.15
COC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCC1	REAL300019886333	1	46	-1.0	-44.96	345.16	5.82	-39.14
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886334	0	46	-1.0	-44.26	358.77	8.04	-36.22
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886334	1	46	-1.0	-44.29	358.83	8.05	-36.24
O=C(C1CC2=CC=CC=C2CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886335	0	44	-1.0	-47.18	341.32	6.50	-40.68
O=C(C1CC2=CC=CC=C2CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886335	1	44	-1.0	-47.20	341.38	6.51	-40.69
COC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCCC1	REAL300019886336	0	49	-1.0	-45.12	358.24	6.24	-38.88
COC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCCC1	REAL300019886336	1	49	-1.0	-45.15	358.30	6.24	-38.91
CC(CC1=CC=CO1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886337	0	42	-1.0	-44.59	332.09	5.51	-39.08
CC(CC1=CC=CO1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886337	1	42	-1.0	-44.57	332.15	5.53	-39.04
CC1CC2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC=C2O1	REAL300019886338	0	44	-1.0	-53.78	346.93	5.81	-47.97
CC1CC2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CC=C2O1	REAL300019886338	1	44	-1.0	-53.79	347.00	5.82	-47.97
O=C(C1CC2(C1)CCCCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886339	0	49	-1.0	-43.96	358.94	7.34	-36.62
O=C(C1CC2(C1)CCCCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886339	1	49	-1.0	-43.96	358.99	7.34	-36.62
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886340	0	42	-1.0	-54.74	351.70	7.95	-46.79
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886340	1	42	-1.0	-54.77	351.76	7.96	-46.81
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886341	0	42	-1.0	-65.51	362.21	6.98	-58.53
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886341	1	42	-1.0	-65.48	362.15	6.97	-58.51
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C)N1C1=CN(C)N=C1	REAL300019886342	0	50	-1.0	-58.55	398.84	6.94	-51.61
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C)N1C1=CN(C)N=C1	REAL300019886342	1	50	-1.0	-58.58	398.78	6.93	-51.65
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019886343	0	45	-1.0	-55.97	385.55	6.55	-49.42
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019886343	1	45	-1.0	-55.99	385.48	6.55	-49.44
COCC1=CSC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886344	0	40	-1.0	-55.52	334.06	3.87	-51.65
COCC1=CSC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886344	1	40	-1.0	-55.53	334.12	3.88	-51.65
CC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCO1	REAL300019886345	0	46	-1.0	-43.36	344.62	4.79	-38.57
CC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCO1	REAL300019886345	1	46	-1.0	-43.37	344.69	4.80	-38.57
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886346	0	49	0.0	-73.47	377.34	5.83	-67.64
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886346	1	49	0.0	-73.44	377.40	5.84	-67.60
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886347	0	50	-1.0	-56.43	400.71	5.93	-50.50
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886347	1	50	-1.0	-56.42	400.65	5.93	-50.49
NC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC(Br)=N1	REAL300019886348	0	37	-1.0	-49.73	321.58	2.71	-47.02
NC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC(Br)=N1	REAL300019886348	1	37	-1.0	-49.73	321.52	2.70	-47.03
O=C(C1=NOC2=C1COCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886349	0	40	-1.0	-45.23	318.14	3.37	-41.86
O=C(C1=NOC2=C1COCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886349	1	40	-1.0	-45.21	318.20	3.37	-41.84
CC1=CN2C=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC2=N1	REAL300019886350	0	42	-1.0	-55.02	342.51	6.51	-48.51
CC1=CN2C=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CC2=N1	REAL300019886350	1	42	-1.0	-55.06	342.57	6.51	-48.55
O=C(C1=CN(C2CC2)N=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886351	0	39	-1.0	-50.44	317.23	3.60	-46.84
O=C(C1=CN(C2CC2)N=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886351	1	39	-1.0	-50.38	317.16	3.60	-46.78
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CNC2=C1	REAL300019886352	0	50	-1.0	-62.07	395.96	4.90	-57.17
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CNC2=C1	REAL300019886352	1	50	-1.0	-62.10	396.03	4.90	-57.20
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886353	0	44	-1.0	-53.42	353.27	3.99	-49.43
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886353	1	44	-1.0	-53.43	353.33	4.01	-49.42
CNC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1F	REAL300019886354	0	41	-1.0	-42.14	328.45	4.03	-38.11
CNC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1F	REAL300019886354	1	41	-1.0	-42.13	328.52	4.03	-38.10
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019886355	0	59	-1.0	-50.75	439.84	5.16	-45.59
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019886355	1	59	-1.0	-50.68	439.90	5.17	-45.51
O=C(C1CCC2C(C1)C2(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886356	0	43	-1.0	-45.76	327.46	6.13	-39.63
O=C(C1CCC2C(C1)C2(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886356	1	43	-1.0	-45.78	327.52	6.15	-39.63
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886357	0	47	-1.0	-48.25	368.18	1.98	-46.27
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886357	1	47	-1.0	-48.28	368.24	2.00	-46.28
COC1=CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300019886358	0	47	-1.0	-60.54	382.62	5.70	-54.84
COC1=CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300019886358	1	47	-1.0	-60.55	382.69	5.70	-54.85
CC1=CC=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1Br	REAL300019886359	0	42	-1.0	-52.94	350.49	7.29	-45.65
CC1=CC=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1Br	REAL300019886359	1	42	-1.0	-52.97	350.55	7.29	-45.68
O=C(C1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1)N1CCOCC1	REAL300019886360	0	51	-1.0	-60.70	391.91	4.59	-56.11
O=C(C1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1)N1CCOCC1	REAL300019886360	1	51	-1.0	-60.73	391.96	4.60	-56.13
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886361	0	45	-1.0	-66.72	366.99	5.63	-61.09
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886361	1	45	-1.0	-66.73	366.94	5.62	-61.11
CC1=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NC=C1Cl	REAL300019886362	0	41	-1.0	-59.60	343.32	5.68	-53.92
CC1=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NC=C1Cl	REAL300019886362	1	41	-1.0	-59.62	343.38	5.69	-53.93
NC1=C(Cl)C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1Cl	REAL300019886363	0	38	-1.0	-50.95	333.61	4.24	-46.71
NC1=C(Cl)C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1Cl	REAL300019886363	1	38	-1.0	-50.99	333.68	4.24	-46.75
CCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300019886364	0	48	-1.0	-44.39	345.53	6.16	-38.23
CCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300019886364	1	48	-1.0	-44.41	345.60	6.18	-38.23
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886365	0	39	-1.0	-50.10	336.36	4.09	-46.01
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886365	1	39	-1.0	-50.07	336.29	4.08	-45.99
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886366	0	48	-1.0	-47.19	358.70	5.76	-41.43
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886366	1	48	-1.0	-47.15	358.76	5.76	-41.39
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C(F)(F)F)CCOCC1	REAL300019886367	0	43	-1.0	-40.35	321.49	3.37	-36.98
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C(F)(F)F)CCOCC1	REAL300019886367	1	43	-1.0	-40.38	321.55	3.38	-37.00
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886368	0	39	-1.0	-51.95	343.50	6.67	-45.28
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886368	1	39	-1.0	-51.97	343.56	6.67	-45.30
CSCC[C@H](NC(N)=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886369	0	45	-1.0	-53.65	361.12	1.76	-51.89
CSCC[C@H](NC(N)=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886369	1	45	-1.0	-53.63	361.18	1.76	-51.87
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019886370	0	49	-1.0	-42.77	370.35	8.50	-34.27
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019886370	1	49	-1.0	-42.81	370.41	8.50	-34.31
CC1=CCC(C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019886371	0	46	-1.0	-44.10	332.64	6.07	-38.03
CC1=CCC(C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019886371	1	46	-1.0	-44.11	332.69	6.09	-38.02
CCN1C(=O)NC2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC=C21	REAL300019886372	0	46	-1.0	-54.79	369.11	4.99	-49.80
CCN1C(=O)NC2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CC=C21	REAL300019886372	1	46	-1.0	-54.77	369.18	4.99	-49.78
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886373	0	47	-1.0	-54.85	374.12	5.63	-49.22
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886373	1	47	-1.0	-54.87	374.19	5.63	-49.24
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886374	0	46	-1.0	-42.64	354.41	5.01	-37.63
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886374	1	46	-1.0	-42.66	354.47	5.02	-37.64
CC1(C)CCCC(O)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886375	0	49	-1.0	-40.62	350.19	4.00	-36.62
CC1(C)CCCC(O)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886375	1	49	-1.0	-40.64	350.24	4.02	-36.62
COC(=O)N1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019886376	0	47	-1.0	-50.65	362.83	4.32	-46.33
COC(=O)N1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019886376	1	47	-1.0	-50.67	362.89	4.32	-46.35
O=C(CCC1=CC=CN=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886377	0	41	-1.0	-54.88	343.25	5.55	-49.33
O=C(CCC1=CC=CN=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886377	1	41	-1.0	-54.89	343.19	5.54	-49.35
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886378	0	59	-1.0	-48.79	431.65	7.37	-41.42
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886378	1	59	-1.0	-48.79	431.71	7.38	-41.41
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886379	0	48	-1.0	-57.75	402.26	7.36	-50.39
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886379	1	48	-1.0	-57.75	402.20	7.36	-50.39
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886380	0	59	-1.0	-45.79	451.31	3.83	-41.96
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886380	1	59	-1.0	-45.81	451.37	3.83	-41.98
CN1C(=O)CO[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[C@H]1C1=CC=CN=C1	REAL300019886381	0	50	-1.0	-45.73	380.86	3.39	-42.34
CN1C(=O)CO[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[C@H]1C1=CC=CN=C1	REAL300019886381	1	50	-1.0	-45.70	380.80	3.38	-42.32
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886382	0	51	-1.0	-46.19	381.73	6.05	-40.14
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886382	1	51	-1.0	-46.15	381.79	6.06	-40.09
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1(C)C	REAL300019886383	0	54	-1.0	-43.58	404.54	7.45	-36.13
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1(C)C	REAL300019886383	1	54	-1.0	-43.58	404.59	7.46	-36.12
CC(C)(C)OC(=O)C(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCC1	REAL300019886384	0	57	-1.0	-44.86	421.52	8.35	-36.51
CC(C)(C)OC(=O)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCC1	REAL300019886384	1	57	-1.0	-44.88	421.59	8.36	-36.52
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886385	0	43	-1.0	-59.83	368.83	2.50	-57.33
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886385	1	43	-1.0	-59.85	368.89	2.50	-57.35
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886386	0	46	-1.0	-53.83	375.73	6.86	-46.97
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886386	1	46	-1.0	-53.83	375.79	6.86	-46.97
O=C(C1=CC(Br)=CNC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886387	0	36	-1.0	-59.58	315.40	2.76	-56.82
O=C(C1=CC(Br)=CNC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886387	1	36	-1.0	-59.65	315.47	2.77	-56.88
COCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCCC1	REAL300019886388	0	49	-1.0	-46.05	350.08	4.68	-41.37
COCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCCC1	REAL300019886388	1	49	-1.0	-46.05	350.14	4.70	-41.35
O=C(C1=CN=C2CCCCCN12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886389	0	46	-1.0	-53.18	342.50	5.51	-47.67
O=C(C1=CN=C2CCCCCN12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886389	1	46	-1.0	-53.21	342.56	5.51	-47.70
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886390	0	45	-1.0	-54.43	363.88	8.07	-46.36
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886390	1	45	-1.0	-54.46	363.95	8.08	-46.38
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886391	0	42	-1.0	-62.88	350.66	1.61	-61.27
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886391	1	42	-1.0	-62.87	350.72	1.62	-61.25
O=C(C1=CC2=CSC=C2S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886392	0	36	-1.0	-53.55	317.39	5.58	-47.97
O=C(C1=CC2=CSC=C2S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886392	1	36	-1.0	-53.59	317.47	5.58	-48.01
CC1=CC=CC=C1CC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886393	0	48	-1.0	-43.56	363.70	7.69	-35.87
CC1=CC=CC=C1CC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886393	1	48	-1.0	-43.59	363.76	7.70	-35.89
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)OC(C(F)F)=C1	REAL300019886394	0	39	-1.0	-50.00	323.30	5.21	-44.79
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)OC(C(F)F)=C1	REAL300019886394	1	39	-1.0	-50.03	323.36	5.21	-44.82
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886395	0	44	-1.0	-46.80	356.03	8.42	-38.38
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886395	1	44	-1.0	-46.83	356.09	8.44	-38.39
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886396	0	43	-1.0	-47.84	370.41	8.39	-39.45
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886396	1	43	-1.0	-47.83	370.47	8.41	-39.42
CC1=CC=C2OC=C(CC(=O)N3CCCC(CC4=N[N-]N=N4)C3)C2=C1	REAL300019886397	0	45	-1.0	-57.82	363.41	7.24	-50.58
CC1=CC=C2OC=C(CC(=O)N3CCCC(CC4=NN=N[N-]4)C3)C2=C1	REAL300019886397	1	45	-1.0	-57.81	363.47	7.25	-50.56
COC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019886398	0	43	-1.0	-46.74	346.11	6.08	-40.66
COC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019886398	1	43	-1.0	-46.77	346.17	6.09	-40.68
CCCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300019886399	0	48	-1.0	-45.26	387.59	8.55	-36.71
CCCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300019886399	1	48	-1.0	-45.26	387.65	8.57	-36.69
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C)N1C1=NN(C)C=C1	REAL300019886400	0	50	-1.0	-63.35	394.94	7.67	-55.68
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C)N1C1=NN(C)C=C1	REAL300019886400	1	50	-1.0	-63.30	394.87	7.66	-55.64
CC(C)C1=NC=CN1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886401	0	45	-1.0	-59.22	356.68	6.04	-53.18
CC(C)C1=NC=CN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886401	1	45	-1.0	-59.17	356.74	6.04	-53.13
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886401	1	46	0.0	-60.13	355.38	6.65	-53.48
O=C(C1CN(C2CCOC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886402	0	46	-1.0	-43.82	350.89	1.27	-42.55
O=C(C1C[NH+](C2CCOC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886402	1	47	0.0	-66.77	353.58	4.11	-62.66
O=C(C1CN(C2CCOC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886402	1	46	-1.0	-43.87	350.95	1.28	-42.59
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886403	0	46	-1.0	-56.94	370.08	8.59	-48.35
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886403	1	46	-1.0	-56.94	370.14	8.60	-48.34
COC1=CC=C([C@]2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C[C@H](O)C2)C=C1	REAL300019886404	0	51	-1.0	-44.02	387.70	3.17	-40.85
COC1=CC=C([C@]2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C[C@H](O)C2)C=C1	REAL300019886404	1	51	-1.0	-44.04	387.76	3.18	-40.86
O=C(CN1CSCCSC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886405	0	43	-1.0	-54.50	348.62	3.98	-50.52
O=C(CN1CSCCSC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886405	1	43	-1.0	-54.48	348.68	3.98	-50.50
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300019886406	0	49	0.0	-76.29	336.72	5.55	-70.74
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCC[NH+](CCC1)C2	REAL300019886406	1	49	0.0	-76.29	336.78	5.56	-70.73
O=C(CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=C(F)C=CC=C1F	REAL300019886407	0	44	-1.0	-55.13	363.00	6.89	-48.24
O=C(CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=C(F)C=CC=C1F	REAL300019886407	1	44	-1.0	-55.16	363.07	6.89	-48.27
O=C(C1=CN=C2COCCN12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886408	0	41	-1.0	-53.37	321.69	2.82	-50.55
O=C(C1=CN=C2COCCN12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886408	1	41	-1.0	-53.41	321.75	2.83	-50.58
N#CC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCOCC1	REAL300019886409	0	44	-1.0	-49.97	337.84	3.86	-46.11
N#CC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCOCC1	REAL300019886409	1	44	-1.0	-49.97	337.91	3.88	-46.09
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886410	0	52	-1.0	-66.19	409.09	6.30	-59.89
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886410	1	52	-1.0	-66.19	409.16	6.30	-59.89
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886411	0	57	-1.0	-60.96	424.32	3.99	-56.97
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886411	1	57	-1.0	-60.95	424.38	4.01	-56.94
O=C(C1CC(=O)NC2CCCCC21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886412	0	50	-1.0	-52.25	360.77	3.84	-48.41
O=C(C1CC(=O)NC2CCCCC21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886412	1	50	-1.0	-52.22	360.83	3.85	-48.37
N#CC1=CN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019886413	0	39	-2.0	-111.68	340.33	0.63	-111.05
N#CC1=CN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300019886413	1	39	-2.0	-111.71	340.40	0.64	-111.07
O=C(C1=CN=C(C2CC2)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886414	0	39	-1.0	-55.20	318.42	2.40	-52.80
O=C(C1=CN=C(C2CC2)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886414	1	39	-1.0	-55.21	318.47	2.41	-52.80
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O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886415	1	50	0.0	-70.73	372.24	4.91	-65.82
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CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886417	0	53	-1.0	-49.56	411.17	1.39	-48.17
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886417	1	53	-1.0	-49.58	411.23	1.41	-48.17
N#CC1=CN(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019886418	0	42	-2.0	-97.46	361.41	1.15	-96.31
N#CC1=CN(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300019886418	1	42	-2.0	-97.46	361.48	1.15	-96.31
COC1=CC=C(CN2CCC2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886419	0	52	-1.0	-49.71	403.83	4.16	-45.55
COC1=CC=C(CN2CCC2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886419	1	52	-1.0	-49.71	403.90	4.16	-45.55
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886420	0	47	-1.0	-51.03	365.96	4.07	-46.96
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886420	1	47	-1.0	-51.00	365.89	4.07	-46.93
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886421	0	44	-1.0	-61.20	356.57	2.16	-59.04
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886421	1	44	-1.0	-61.19	356.64	2.17	-59.02
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886421	1	43	-2.0	-130.72	353.01	2.98	-127.74
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886421	1	43	-2.0	-130.72	353.08	2.99	-127.73
CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886422	0	57	-1.0	-53.95	418.66	3.12	-50.83
CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886422	1	57	-1.0	-53.92	418.72	3.12	-50.80
CN(CCC1=CC=CC=C1)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886423	0	50	-1.0	-53.48	386.97	6.08	-47.40
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C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886423	1	51	0.0	-66.89	388.32	8.34	-58.55
CN(CCC1=CC=CC=C1)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886423	1	50	-1.0	-53.52	387.04	6.08	-47.44
COCCOCC[N@H+](C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886424	0	55	0.0	-66.94	417.35	4.56	-62.38
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886424	1	55	0.0	-67.13	417.39	4.57	-62.56
COCCOCC[N@H+](C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886424	1	55	0.0	-66.92	417.41	4.58	-62.34
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886424	1	55	0.0	-67.16	417.45	4.59	-62.57
CC1=NN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)O1	REAL300019886425	0	38	-1.0	-61.65	318.39	0.99	-60.66
CC1=NN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)O1	REAL300019886425	1	38	-1.0	-61.67	318.45	1.00	-60.67
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1CSCCSC1	REAL300019886426	0	46	-1.0	-44.79	354.41	3.98	-40.81
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1CSCCSC1	REAL300019886426	1	46	-1.0	-44.80	354.47	4.00	-40.80
O=C(CCN1CSCCSC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886427	0	46	-1.0	-53.77	368.05	4.32	-49.45
O=C(CCN1CSCCSC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886427	1	46	-1.0	-53.76	368.10	4.32	-49.44
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NC(=O)C1=CN(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)NC1=O	REAL300019886428	1	46	-1.0	-56.00	376.64	-0.39	-56.39
O=C(C1CC2=C(Cl)C=CC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886429	0	40	-1.0	-44.65	335.08	7.23	-37.42
O=C(C1CC2=C(Cl)C=CC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886429	1	40	-1.0	-44.67	335.14	7.23	-37.44
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886430	0	41	-1.0	-60.97	346.28	5.25	-55.72
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886430	1	41	-1.0	-60.94	346.33	5.24	-55.70
CC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CO1	REAL300019886431	0	42	-1.0	-43.58	332.46	5.69	-37.89
CC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CO1	REAL300019886431	1	42	-1.0	-43.58	332.52	5.71	-37.87
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O=C(C1CCC2=CC=CC=C2CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886432	1	49	-1.0	-42.89	366.34	8.15	-34.74
O=C(CC(C1CCC1)C1CCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886433	0	52	-1.0	-43.64	378.23	8.41	-35.23
O=C(CC(C1CCC1)C1CCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886433	1	52	-1.0	-43.62	378.29	8.42	-35.20
CC1=CC=C(COC(C)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886434	0	49	-1.0	-48.94	384.85	7.71	-41.23
CC1=CC=C(COC(C)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886434	1	49	-1.0	-48.91	384.91	7.73	-41.18
O=C(C1C2CCCCCCC21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886435	0	49	-1.0	-43.63	356.56	7.51	-36.12
O=C(C1C2CCCCCCC21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886435	1	49	-1.0	-43.64	356.62	7.50	-36.14
O=C(C1=CC2=NN=NN2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886436	0	37	-1.0	-56.78	307.64	3.38	-53.40
O=C(C1=CC2=NN=NN2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886436	1	37	-1.0	-56.70	307.58	3.37	-53.33
O=C(C1CCC(C2CC2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886437	0	49	-1.0	-43.36	365.07	7.68	-35.68
O=C(C1CCC(C2CC2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886437	1	49	-1.0	-43.38	365.13	7.69	-35.69
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O=C(C1=C2SC=CC2=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886438	1	37	-1.0	-52.06	316.21	5.21	-46.85
CCCCCCCCC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886439	0	56	-1.0	-43.48	419.54	9.01	-34.47
CCCCCCCCC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886439	1	56	-1.0	-43.51	419.60	9.03	-34.48
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019886440	0	53	-1.0	-47.13	408.84	4.67	-42.46
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019886440	1	53	-1.0	-47.11	408.90	4.68	-42.43
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886441	0	59	-1.0	-54.82	436.36	7.15	-47.67
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886441	1	59	-1.0	-54.81	436.42	7.17	-47.64
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886442	0	45	-1.0	-62.13	362.00	5.55	-56.58
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886442	1	45	-1.0	-62.13	361.94	5.55	-56.58
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886443	0	45	-1.0	-62.13	362.00	5.55	-56.58
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886443	1	45	-1.0	-62.13	361.94	5.55	-56.58
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886444	0	49	-1.0	-45.82	379.67	7.31	-38.51
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886444	1	49	-1.0	-45.80	379.73	7.33	-38.47
O=C(C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886445	0	49	-1.0	-46.87	398.28	9.74	-37.13
O=C(C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886445	1	49	-1.0	-46.85	398.35	9.75	-37.10
CN1CCC(C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1=O	REAL300019886446	0	43	-1.0	-43.67	323.74	3.24	-40.43
CN1CCC(C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1=O	REAL300019886446	1	43	-1.0	-43.63	323.80	3.26	-40.37
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886447	0	46	0.0	-62.77	330.21	1.31	-61.46
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886447	1	46	0.0	-60.55	331.62	1.41	-59.14
CN1CC(O)CC1(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886447	1	45	-1.0	-45.72	328.95	-0.75	-46.47
CN1CC(O)CC1(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886447	1	45	-1.0	-45.72	329.01	-0.75	-46.47
O=C(C1CCC2CCCC[N@@H+]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886448	0	49	0.0	-58.03	356.17	6.71	-51.32
O=C(C1CCC2CCCC[N@H+]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886448	1	49	0.0	-57.92	348.80	6.40	-51.52
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886449	0	47	-1.0	-65.22	390.06	5.97	-59.25
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886449	1	47	-1.0	-65.21	389.99	5.97	-59.24
COC1=CC=C(CNC(=O)C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886450	0	51	-1.0	-52.85	415.82	4.48	-48.37
COC1=CC=C(CNC(=O)C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886450	1	51	-1.0	-52.86	415.88	4.48	-48.38
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=NC=CS1	REAL300019886451	0	41	-1.0	-43.17	322.00	3.93	-39.24
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=NC=CS1	REAL300019886451	1	41	-1.0	-43.16	321.94	3.92	-39.24
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886452	0	40	-1.0	-45.44	353.15	7.20	-38.24
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886452	1	40	-1.0	-45.41	353.21	7.22	-38.19
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886453	0	44	-1.0	-55.88	362.68	6.34	-49.54
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886453	1	44	-1.0	-55.92	362.74	6.35	-49.57
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886454	0	40	-1.0	-37.53	349.73	5.53	-32.00
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886454	1	40	-1.0	-37.48	349.78	5.54	-31.94
COC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1Br	REAL300019886455	0	40	-1.0	-52.08	339.89	5.18	-46.90
COC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1Br	REAL300019886455	1	40	-1.0	-52.11	339.95	5.18	-46.93
O=C(C1C2CC3=CC=CC=C3C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886456	0	44	-1.0	-43.26	347.21	8.02	-35.24
O=C(C1C2CC3=CC=CC=C3C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886456	1	44	-1.0	-43.27	347.27	8.04	-35.23
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1OC(F)(F)F	REAL300019886457	0	43	-1.0	-51.05	354.35	5.69	-45.36
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300019886457	1	43	-1.0	-51.03	354.41	5.70	-45.33
O=C(C1COC2=CC(F)=CC=C2C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886458	0	44	-1.0	-42.00	350.08	5.99	-36.01
O=C(C1COC2=CC(F)=CC=C2C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886458	1	44	-1.0	-42.03	350.14	6.00	-36.03
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C(S(C)(=O)=O)O1	REAL300019886459	0	42	-1.0	-60.68	356.58	1.73	-58.95
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C(S(C)(=O)=O)O1	REAL300019886459	1	42	-1.0	-60.69	356.64	1.73	-58.96
CC1=CC=CC=C1COC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886460	0	49	-1.0	-48.96	379.57	7.76	-41.20
CC1=CC=CC=C1COC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886460	1	49	-1.0	-48.95	379.64	7.77	-41.18
CSC1=CC(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886461	0	40	-1.0	-51.10	331.93	5.37	-45.73
CSC1=CC(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886461	1	40	-1.0	-51.15	332.00	5.38	-45.77
O=C(C=CC1=CC=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886462	0	37	-1.0	-53.51	313.15	5.79	-47.72
O=C(C=CC1=CC=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886462	1	37	-1.0	-53.55	313.21	5.79	-47.76
COC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300019886463	0	49	-1.0	-41.36	375.63	6.55	-34.81
COC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300019886463	1	49	-1.0	-41.37	375.70	6.56	-34.81
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886464	0	45	-1.0	-46.45	347.07	6.42	-40.03
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886464	1	45	-1.0	-46.48	347.13	6.42	-40.06
CC(C)C1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886465	0	45	-1.0	-56.23	348.59	7.06	-49.17
CC(C)C1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886465	1	45	-1.0	-56.21	348.65	7.06	-49.15
O=C(C1=CSC(C(F)(F)F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886466	0	36	-1.0	-54.45	319.56	5.35	-49.10
O=C(C1=CSC(C(F)(F)F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886466	1	36	-1.0	-54.46	319.62	5.36	-49.10
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886467	0	49	-1.0	-43.89	373.91	8.49	-35.40
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886467	1	49	-1.0	-43.92	373.97	8.50	-35.42
COCCCN1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886468	0	46	-1.0	-54.74	369.46	3.66	-51.08
COCCCN1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886468	1	46	-1.0	-54.72	369.40	3.65	-51.07
O=C(C1=CN(C2CC2)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886469	0	40	-1.0	-53.26	322.30	4.48	-48.78
O=C(C1=CN(C2CC2)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886469	1	40	-1.0	-53.17	322.24	4.47	-48.70
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NN1C1CCOCC1	REAL300019886470	0	50	-1.0	-56.66	385.88	5.09	-51.57
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NN1C1CCOCC1	REAL300019886470	1	50	-1.0	-56.68	385.95	5.09	-51.59
CN1C=C(N2CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CC2=O)C=N1	REAL300019886471	0	47	-1.0	-48.47	371.03	4.12	-44.35
CN1C=C(N2CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CC2=O)C=N1	REAL300019886471	1	47	-1.0	-48.45	370.97	4.10	-44.35
CC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=NC=C1	REAL300019886472	0	44	-1.0	-44.32	343.76	5.70	-38.62
CC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=NC=C1	REAL300019886472	1	44	-1.0	-44.35	343.82	5.72	-38.63
O=C(C1=C2C=CSC2=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886473	0	38	-1.0	-53.51	320.99	4.67	-48.84
O=C(C1=C2C=CSC2=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886473	1	38	-1.0	-53.53	320.93	4.66	-48.87
CCOC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCOCC1	REAL300019886474	0	47	-1.0	-41.41	342.64	3.20	-38.21
CCOC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCOCC1	REAL300019886474	1	47	-1.0	-41.44	342.70	3.21	-38.23
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886475	0	43	-1.0	-48.05	369.40	7.52	-40.53
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886475	1	43	-1.0	-48.05	369.46	7.54	-40.51
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886476	0	45	-1.0	-58.65	367.05	5.61	-53.04
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886476	1	45	-1.0	-58.63	366.98	5.60	-53.03
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886477	0	42	-1.0	-52.27	365.84	7.62	-44.65
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886477	1	42	-1.0	-52.27	365.90	7.63	-44.64
O=C(C1=C(Br)N=C2COCCN21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886478	0	41	-1.0	-53.68	350.28	3.53	-50.15
O=C(C1=C(Br)N=C2COCCN21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886478	1	41	-1.0	-53.71	350.35	3.53	-50.18
CC1=CC=CC=C1COCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886479	0	46	-1.0	-60.34	364.77	7.31	-53.03
CC1=CC=CC=C1COCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886479	1	46	-1.0	-60.34	364.83	7.31	-53.03
CC1=CC=CC(COCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886480	0	46	-1.0	-58.92	369.97	7.29	-51.63
CC1=CC=CC(COCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886480	1	46	-1.0	-58.97	370.03	7.30	-51.67
O=C(C1=C2SC=CC2=CC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886481	0	38	-1.0	-58.00	321.29	5.49	-52.51
O=C(C1=C2SC=CC2=CC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886481	1	38	-1.0	-58.00	321.23	5.48	-52.52
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886482	0	47	-1.0	-46.27	377.28	6.41	-39.86
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886482	1	47	-1.0	-46.23	377.33	6.43	-39.80
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886483	0	45	-1.0	-63.36	341.97	4.41	-58.95
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886483	1	45	-1.0	-63.34	342.03	4.43	-58.91
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886484	0	42	-2.0	-97.35	358.69	1.21	-96.14
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886484	1	42	-2.0	-97.38	358.62	1.21	-96.17
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886484	1	43	-1.0	-56.93	358.76	1.36	-55.57
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886484	1	43	-1.0	-56.97	358.69	1.35	-55.62
O=C(CN1C=CC(C(F)F)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886485	0	39	-1.0	-67.29	328.92	4.43	-62.86
O=C(CN1C=CC(C(F)F)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886485	1	39	-1.0	-67.33	328.99	4.44	-62.89
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886486	0	42	-1.0	-53.44	343.96	4.49	-48.95
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886486	1	42	-1.0	-53.46	344.03	4.49	-48.97
CC1=CN2C=CN=C2C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886487	0	42	-1.0	-62.62	342.43	6.65	-55.97
CC1=CN2C=CN=C2C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886487	1	42	-1.0	-62.64	342.49	6.65	-55.99
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886488	0	39	-1.0	-49.40	344.74	5.36	-44.04
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886488	1	39	-1.0	-49.33	344.68	5.35	-43.98
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886489	0	47	-1.0	-50.34	367.30	4.45	-45.89
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886489	1	47	-1.0	-50.34	367.24	4.44	-45.90
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886490	0	53	-1.0	-47.24	405.11	4.23	-43.01
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886490	1	53	-1.0	-47.25	405.17	4.25	-43.00
O=C(C1CCCC2(CC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886491	0	46	-1.0	-44.00	345.68	6.92	-37.08
O=C(C1CCCC2(CC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886491	1	46	-1.0	-43.99	345.74	6.93	-37.06
CCCN1N=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886492	0	42	-1.0	-52.35	329.60	4.57	-47.78
CCCN1N=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886492	1	42	-1.0	-52.33	329.54	4.56	-47.77
CC1=CC=C(COCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886493	0	46	-1.0	-58.91	369.97	7.30	-51.61
CC1=CC=C(COCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886493	1	46	-1.0	-58.90	370.02	7.31	-51.59
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886494	0	39	-1.0	-51.80	334.92	4.44	-47.36
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886494	1	39	-1.0	-51.76	334.99	4.45	-47.31
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886495	0	39	-1.0	-60.32	330.24	6.20	-54.12
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886495	1	39	-1.0	-60.34	330.30	6.21	-54.13
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886496	0	50	-1.0	-48.14	383.35	6.16	-41.98
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886496	1	50	-1.0	-48.12	383.40	6.17	-41.95
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886497	0	43	-1.0	-57.88	355.49	6.27	-51.61
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886497	1	43	-1.0	-57.88	355.43	6.27	-51.61
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886498	0	38	-1.0	-54.60	335.86	5.19	-49.41
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886498	1	38	-1.0	-54.58	335.79	5.18	-49.40
COC1=CC(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC(OC)=C1O	REAL300019886499	0	51	-1.0	-54.63	404.98	4.03	-50.60
COC1=CC(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC(OC)=C1O	REAL300019886499	1	51	-1.0	-54.66	405.03	4.04	-50.62
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886500	0	46	-1.0	-47.86	370.86	5.46	-42.40
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886500	1	46	-1.0	-47.91	370.92	5.46	-42.45
COC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1C	REAL300019886501	0	43	-1.0	-56.42	337.65	5.19	-51.23
COC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1C	REAL300019886501	1	43	-1.0	-56.43	337.72	5.19	-51.24
CCC1=CNC(=O)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886502	0	42	-1.0	-63.16	336.96	3.57	-59.59
CCC1=CNC(=O)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886502	1	42	-1.0	-63.17	337.02	3.57	-59.60
O=C(C(O)CC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886503	0	43	-1.0	-44.07	341.45	4.67	-39.40
O=C(C(O)CC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886503	1	43	-1.0	-44.09	341.51	4.67	-39.42
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886504	0	61	0.0	-70.76	449.95	10.16	-60.60
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886504	1	61	0.0	-69.36	455.08	10.41	-58.95
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886504	1	61	0.0	-70.77	450.01	10.18	-60.59
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886504	1	61	0.0	-69.39	455.14	10.43	-58.96
CN1N=CC(Cl)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886505	0	36	-1.0	-51.03	312.61	3.57	-47.46
CN1N=CC(Cl)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886505	1	36	-1.0	-51.02	312.54	3.57	-47.45
CC1=CC(F)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(F)=C1	REAL300019886506	0	39	-1.0	-58.31	327.60	6.14	-52.17
CC1=CC(F)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(F)=C1	REAL300019886506	1	39	-1.0	-58.34	327.66	6.14	-52.20
CC1=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC(C)=C1	REAL300019886507	0	45	-1.0	-54.46	356.90	7.54	-46.92
CC1=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC(C)=C1	REAL300019886507	1	45	-1.0	-54.48	356.97	7.54	-46.94
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886508	0	46	-1.0	-51.38	379.96	5.45	-45.93
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886508	1	46	-1.0	-51.36	379.90	5.44	-45.92
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886509	0	48	-1.0	-58.63	364.72	5.64	-52.99
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886509	1	48	-1.0	-58.64	364.79	5.64	-53.00
COC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1OC(C)C	REAL300019886510	0	50	-1.0	-61.87	390.29	6.54	-55.33
COC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1OC(C)C	REAL300019886510	1	50	-1.0	-61.88	390.36	6.55	-55.33
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886511	0	39	-1.0	-54.72	339.69	5.49	-49.23
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886511	1	39	-1.0	-54.69	339.65	5.49	-49.20
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886512	0	46	-1.0	-55.21	380.50	5.38	-49.83
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886512	1	46	-1.0	-55.23	380.43	5.37	-49.86
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886513	0	47	-1.0	-54.57	374.09	5.64	-48.93
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886513	1	47	-1.0	-54.60	374.15	5.64	-48.96
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886514	0	47	-1.0	-56.74	374.12	5.64	-51.10
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886514	1	47	-1.0	-56.72	374.17	5.65	-51.07
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886515	0	40	-1.0	-55.34	326.74	2.87	-52.47
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886515	1	40	-1.0	-55.37	326.81	2.88	-52.49
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886516	0	42	-1.0	-54.23	361.77	6.88	-47.35
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886516	1	42	-1.0	-54.22	361.70	6.87	-47.35
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCC(CC4=N[N-]N=N4)C3)[C@@H]2C1	REAL300019886517	0	57	-1.0	-46.24	427.65	6.73	-39.51
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCC(CC4=NN=N[N-]4)C3)[C@@H]2C1	REAL300019886517	1	57	-1.0	-46.30	427.71	6.74	-39.56
COC(=O)C=CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886518	0	43	-1.0	-52.08	361.20	5.64	-46.44
COC(=O)C=CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886518	1	43	-1.0	-52.06	361.26	5.65	-46.41
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886519	0	52	-1.0	-54.20	399.02	9.03	-45.17
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886519	1	52	-1.0	-54.20	399.07	9.03	-45.17
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886520	0	36	-1.0	-55.46	321.65	5.89	-49.57
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886520	1	36	-1.0	-55.48	321.71	5.89	-49.59
CCN1N=CC(Cl)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886521	0	39	-1.0	-49.66	333.62	4.42	-45.24
CCN1N=CC(Cl)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886521	1	39	-1.0	-49.61	333.56	4.42	-45.19
COC(=O)C1=C(C)C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886522	0	42	-1.0	-48.57	345.41	4.86	-43.71
COC(=O)C1=C(C)C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886522	1	42	-1.0	-48.61	345.47	4.86	-43.75
COC(=O)C1=CN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1	REAL300019886523	0	42	-1.0	-62.87	351.12	4.30	-58.57
COC(=O)C1=CN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1	REAL300019886523	1	42	-1.0	-62.88	351.06	4.30	-58.58
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886524	0	61	-1.0	-42.81	448.95	5.49	-37.32
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886524	1	61	-1.0	-42.88	449.02	5.50	-37.38
C[C@@H](CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300019886525	0	52	-1.0	-51.57	399.40	4.27	-47.30
C[C@@H](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300019886525	1	52	-1.0	-51.55	399.46	4.27	-47.28
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886526	0	54	-1.0	-57.08	410.69	4.60	-52.48
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886526	1	54	-1.0	-57.08	410.74	4.62	-52.46
CN1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C2=CC=CO2)=N1	REAL300019886527	0	43	-1.0	-64.37	355.82	4.71	-59.66
CN1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C2=CC=CO2)=N1	REAL300019886527	1	43	-1.0	-64.40	355.76	4.71	-59.69
NC(=O)C1=CC=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886528	0	41	-1.0	-54.60	345.49	1.79	-52.81
NC(=O)C1=CC=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886528	1	41	-1.0	-54.63	345.55	1.80	-52.83
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)OC(S(N)(=O)=O)=C1	REAL300019886529	0	41	-1.0	-53.03	345.29	-0.87	-53.90
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)OC(S(N)(=O)=O)=C1	REAL300019886529	1	41	-1.0	-53.05	345.35	-0.87	-53.92
CSC1=CC=C(O)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886530	0	41	-1.0	-56.07	340.66	3.66	-52.41
CSC1=CC=C(O)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886530	1	41	-1.0	-56.07	340.72	3.66	-52.41
CCCCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)C	REAL300019886531	0	50	-1.0	-43.13	361.36	6.95	-36.18
CCCCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)C	REAL300019886531	1	50	-1.0	-43.12	361.42	6.96	-36.16
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886532	0	54	-1.0	-51.59	408.51	6.28	-45.31
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886532	1	54	-1.0	-51.57	408.57	6.30	-45.27
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886533	0	46	-1.0	-65.11	376.67	6.08	-59.03
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886533	1	46	-1.0	-65.10	376.61	6.07	-59.03
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019886534	0	55	-1.0	-41.36	371.84	8.99	-32.37
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019886534	1	55	-1.0	-41.37	371.90	9.01	-32.36
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886535	0	40	-1.0	-50.47	335.56	3.80	-46.67
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886535	1	40	-1.0	-50.49	335.62	3.81	-46.68
CC1=CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1	REAL300019886536	0	53	-1.0	-58.84	420.56	10.18	-48.66
CC1=CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1	REAL300019886536	1	53	-1.0	-58.82	420.63	10.18	-48.64
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C21	REAL300019886537	0	44	-1.0	-48.38	365.65	4.65	-43.73
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=C21	REAL300019886537	1	44	-1.0	-48.38	365.59	4.65	-43.73
O=C(C1CCC2(CC2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886538	0	46	-1.0	-43.97	345.83	6.91	-37.06
O=C(C1CCC2(CC2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886538	1	46	-1.0	-43.96	345.89	6.92	-37.04
O=C(C1CCC2=CC(F)=CC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886539	0	43	-1.0	-45.61	342.69	7.22	-38.39
O=C(C1CCC2=CC(F)=CC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886539	1	43	-1.0	-45.58	342.76	7.22	-38.36
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1C	REAL300019886540	0	49	-1.0	-44.71	379.38	8.72	-35.99
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1C	REAL300019886540	1	49	-1.0	-44.75	379.44	8.74	-36.01
CCOCCN1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886541	0	46	-1.0	-52.47	369.82	3.84	-48.63
CCOCCN1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886541	1	46	-1.0	-52.45	369.76	3.84	-48.61
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886542	0	47	-1.0	-41.94	377.65	6.90	-35.04
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886542	1	47	-1.0	-41.97	377.70	6.92	-35.05
O=C(C1=C(C(F)(F)F)SC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886543	0	36	-1.0	-56.31	317.73	5.30	-51.01
O=C(C1=C(C(F)(F)F)SC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886543	1	36	-1.0	-56.34	317.79	5.30	-51.04
CC1=NN(C2CCOCC2)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886544	0	50	-1.0	-52.25	382.61	4.58	-47.67
CC1=NN(C2CCOCC2)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886544	1	50	-1.0	-52.27	382.67	4.59	-47.68
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886545	0	55	-1.0	-41.53	407.20	2.75	-38.78
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886545	1	55	-1.0	-41.58	407.26	2.76	-38.82
CN1N=C(Cl)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1Cl	REAL300019886546	0	36	-1.0	-51.49	329.96	3.97	-47.52
CN1N=C(Cl)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1Cl	REAL300019886546	1	36	-1.0	-51.50	329.88	3.96	-47.54
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886547	0	52	-1.0	-44.48	388.85	9.57	-34.91
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886547	1	52	-1.0	-44.45	388.90	9.58	-34.87
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886548	0	49	-1.0	-55.52	389.51	7.59	-47.93
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886548	1	49	-1.0	-55.52	389.44	7.59	-47.93
CN1C=C(Cl)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019886549	0	36	-1.0	-57.51	307.37	4.12	-53.39
CN1C=C(Cl)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019886549	1	36	-1.0	-57.54	307.31	4.11	-53.43
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2CCCC2)CCNC1=O	REAL300019886550	0	50	-1.0	-54.89	360.83	3.05	-51.84
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2CCCC2)CCNC1=O	REAL300019886550	1	50	-1.0	-54.92	360.89	3.05	-51.87
CCOC1=CC=CC(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886551	0	47	-1.0	-57.09	374.28	6.94	-50.15
CCOC1=CC=CC(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886551	1	47	-1.0	-57.10	374.34	6.94	-50.16
COC1=CC=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886552	0	44	-1.0	-55.68	352.36	6.03	-49.65
COC1=CC=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886552	1	44	-1.0	-55.66	352.43	6.03	-49.63
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886553	0	39	-1.0	-54.53	336.71	6.77	-47.76
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886553	1	39	-1.0	-54.57	336.77	6.77	-47.80
O=C(C1=C(Cl)SC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886554	0	33	-1.0	-55.82	296.32	4.76	-51.06
O=C(C1=C(Cl)SC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886554	1	33	-1.0	-55.89	296.39	4.76	-51.13
CC1(C)CC1(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300019886555	0	49	-1.0	-46.14	372.05	8.13	-38.01
CC1(C)CC1(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019886555	1	49	-1.0	-46.16	372.11	8.13	-38.03
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886556	0	43	-1.0	-53.80	366.54	6.42	-47.38
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886556	1	43	-1.0	-53.81	366.60	6.42	-47.39
CC(=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CS1	REAL300019886557	0	40	-1.0	-50.57	331.50	6.56	-44.01
CC(=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CS1	REAL300019886557	1	40	-1.0	-50.54	331.56	6.56	-43.98
O=C(C1=CSC=C1C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886558	0	36	-1.0	-60.16	316.15	5.25	-54.91
O=C(C1=CSC=C1C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886558	1	36	-1.0	-60.17	316.22	5.25	-54.92
CCCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300019886559	0	48	-1.0	-45.49	386.37	8.42	-37.07
CCCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019886559	1	48	-1.0	-45.48	386.43	8.44	-37.04
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886560	0	53	-1.0	-54.44	412.47	5.24	-49.20
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886560	1	53	-1.0	-54.46	412.53	5.25	-49.21
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886561	0	46	-1.0	-48.28	364.27	4.08	-44.20
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886561	1	46	-1.0	-48.27	364.20	4.07	-44.20
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886562	0	42	-1.0	-52.10	347.56	1.80	-50.30
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886562	1	42	-1.0	-52.13	347.61	1.81	-50.32
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCCCC1	REAL300019886563	0	60	-1.0	-41.85	408.15	8.25	-33.60
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCCCC1	REAL300019886563	1	60	-1.0	-41.82	408.21	8.26	-33.56
CN1C=C(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=N1	REAL300019886564	0	41	-1.0	-55.45	332.28	3.50	-51.95
CN1C=C(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=N1	REAL300019886564	1	41	-1.0	-55.47	332.34	3.50	-51.97
CCOCCOCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886565	0	49	-1.0	-48.87	386.07	4.26	-44.61
CCOCCOCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886565	1	49	-1.0	-48.90	386.13	4.27	-44.63
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886566	0	44	-1.0	-60.14	368.55	4.54	-55.60
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886566	1	44	-1.0	-60.15	368.61	4.55	-55.60
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019886567	0	45	-1.0	-44.09	375.54	5.76	-38.33
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019886567	1	45	-1.0	-44.13	375.60	5.77	-38.36
COC1=CC=CC(C(OC)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886568	0	47	-1.0	-45.91	369.58	5.29	-40.62
COC1=CC=CC(C(OC)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886568	1	47	-1.0	-45.95	369.64	5.31	-40.64
COCCOCCOCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886569	0	53	-1.0	-50.31	419.69	3.63	-46.68
COCCOCCOCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886569	1	53	-1.0	-50.36	419.76	3.63	-46.73
COC1=CC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2C=C1OC	REAL300019886570	0	50	-1.0	-58.11	393.89	6.67	-51.44
COC1=CC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2C=C1OC	REAL300019886570	1	50	-1.0	-58.14	393.95	6.67	-51.47
CSC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(C)O1	REAL300019886571	0	40	-1.0	-50.96	336.01	5.30	-45.66
CSC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(C)O1	REAL300019886571	1	40	-1.0	-51.03	336.07	5.30	-45.73
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886572	0	48	-1.0	-58.30	362.51	4.27	-54.03
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886572	1	48	-1.0	-58.30	362.45	4.25	-54.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019886573	0	49	-2.0	-130.26	395.07	6.64	-123.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019886573	1	49	-2.0	-130.30	395.13	6.65	-123.65
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886574	0	43	-1.0	-73.15	349.98	1.06	-72.09
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886574	1	43	-1.0	-73.17	350.05	1.06	-72.11
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(N2C=CC=C2)S1	REAL300019886575	0	44	-1.0	-58.58	360.96	7.83	-50.75
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(N2C=CC=C2)S1	REAL300019886575	1	44	-1.0	-58.59	361.03	7.83	-50.76
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886576	0	42	-2.0	-120.08	344.05	4.94	-115.14
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886576	1	42	-2.0	-120.08	343.98	4.92	-115.16
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886576	1	42	-2.0	-119.89	344.13	4.95	-114.94
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886576	1	42	-2.0	-119.87	344.07	4.94	-114.93
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886577	0	39	-2.0	-86.14	330.27	2.60	-83.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886577	1	39	-2.0	-86.15	330.20	2.60	-83.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886577	1	39	-2.0	-86.08	330.33	2.61	-83.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886577	1	39	-2.0	-86.12	330.27	2.61	-83.51
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886578	0	48	-1.0	-66.55	399.52	5.28	-61.27
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886578	1	48	-1.0	-66.51	399.46	5.27	-61.24
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886579	0	42	-1.0	-48.88	375.53	3.10	-45.78
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886579	1	42	-1.0	-48.92	375.47	3.09	-45.83
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886580	0	36	-1.0	-53.45	307.41	3.05	-50.40
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886580	1	36	-1.0	-53.46	307.48	3.05	-50.41
O=C(CC1=CC(C2CC2)=NO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886581	0	42	-1.0	-59.52	341.17	5.88	-53.64
O=C(CC1=CC(C2CC2)=NO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886581	1	42	-1.0	-59.56	341.23	5.88	-53.68
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886582	0	42	-2.0	-91.63	347.60	0.72	-90.91
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886582	1	42	-2.0	-91.69	347.67	0.73	-90.96
CN1C=CC(NC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2)=N1	REAL300019886583	0	48	-1.0	-58.37	381.35	6.16	-52.21
CN1C=CC(NC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2)=N1	REAL300019886583	1	48	-1.0	-58.35	381.29	6.16	-52.19
CC1=NOC(C2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CC2)=C1	REAL300019886584	0	42	-1.0	-42.24	340.27	5.48	-36.76
CC1=NOC(C2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CC2)=C1	REAL300019886584	1	42	-1.0	-42.23	340.33	5.50	-36.73
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886585	0	50	-1.0	-46.13	377.85	4.69	-41.44
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886585	1	50	-1.0	-46.16	377.91	4.70	-41.46
O=C(C1CCCC2CCC[N@@H+]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886586	0	49	0.0	-59.63	342.77	6.06	-53.57
O=C(C1CCCC2CCC[N@H+]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886586	1	49	0.0	-57.92	342.37	5.93	-51.99
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C)(C)C1(C)C	REAL300019886587	0	60	-1.0	-42.08	425.95	8.12	-33.96
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C)(C)C1(C)C	REAL300019886587	1	60	-1.0	-42.05	426.01	8.14	-33.91
CC1CN(C)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886588	0	45	-1.0	-46.42	340.25	2.44	-43.98
CC1CN(C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886588	1	45	-1.0	-46.39	340.31	2.46	-43.93
CC1C[N@H+](C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886588	1	46	0.0	-78.06	336.02	4.46	-73.60
CC1C[N@@H+](C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886588	1	46	0.0	-70.50	336.37	4.71	-65.79
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886589	0	47	-1.0	-43.90	368.20	3.22	-40.68
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886589	1	47	-1.0	-43.89	368.25	3.21	-40.68
CN1C=NC2=CN=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=C21	REAL300019886590	0	41	-1.0	-50.49	327.94	4.52	-45.97
CN1C=NC2=CN=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C21	REAL300019886590	1	41	-1.0	-50.53	328.01	4.52	-46.01
C[N@@H+]1CCCC1CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886591	0	48	0.0	-67.15	356.50	6.43	-60.72
C[N@H+]1CCCC1CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886591	1	48	0.0	-65.32	351.06	5.94	-59.38
C[N@@H+]1CCCC1CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886591	1	48	0.0	-67.15	356.56	6.44	-60.71
C[N@H+]1CCCC1CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886591	1	48	0.0	-65.36	351.12	5.96	-59.40
O=C(C=CCN1C=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886592	0	39	-1.0	-61.75	323.39	6.25	-55.50
O=C(C=CCN1C=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886592	1	39	-1.0	-61.71	323.33	6.24	-55.47
O=C(C1CCCN1C1=NC=CC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886593	0	46	-1.0	-50.91	359.31	5.55	-45.36
O=C(C1CCCN1C1=NC=CC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886593	1	46	-1.0	-50.95	359.25	5.54	-45.41
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886594	0	40	-1.0	-53.50	322.01	5.11	-48.39
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886594	1	40	-1.0	-53.50	322.07	5.12	-48.38
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886595	0	45	-1.0	-56.18	360.20	6.35	-49.83
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886595	1	45	-1.0	-56.20	360.26	6.34	-49.86
O=C(CCC1=NN=C(C2CC2)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886596	0	44	-1.0	-53.48	359.02	1.59	-51.89
O=C(CCC1=NN=C(C2CC2)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886596	1	44	-1.0	-53.49	359.08	1.60	-51.89
CC(C)N1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C2CCOCC2)=N1	REAL300019886597	0	56	-1.0	-57.19	427.34	5.72	-51.47
CC(C)N1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C2CCOCC2)=N1	REAL300019886597	1	56	-1.0	-57.20	427.40	5.73	-51.47
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886598	0	54	-1.0	-57.59	420.12	1.84	-55.75
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886598	1	54	-1.0	-57.63	420.18	1.84	-55.79
CC(=O)NC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=N1	REAL300019886599	0	42	-1.0	-58.13	339.63	3.71	-54.42
CC(=O)NC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=N1	REAL300019886599	1	42	-1.0	-58.12	339.56	3.71	-54.41
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886600	0	56	-1.0	-53.82	417.92	7.70	-46.12
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886600	1	56	-1.0	-53.89	417.99	7.71	-46.18
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886601	0	45	-1.0	-58.16	367.96	8.27	-49.89
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886601	1	45	-1.0	-58.15	367.89	8.26	-49.89
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886602	0	39	-1.0	-51.82	320.47	6.61	-45.21
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886602	1	39	-1.0	-51.78	320.41	6.60	-45.18
O=C(C=CC=C(Cl)Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886603	0	34	-1.0	-53.86	309.73	5.44	-48.42
O=C(C=CC=C(Cl)Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886603	1	34	-1.0	-53.86	309.79	5.45	-48.41
CC1=C(CO)C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886604	0	40	-1.0	-57.74	324.53	1.65	-56.09
CC1=C(CO)C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886604	1	40	-1.0	-57.73	324.59	1.65	-56.08
CN1CCCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1=O	REAL300019886605	0	46	-1.0	-38.42	326.80	4.54	-33.88
CN1CCCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1=O	REAL300019886605	1	46	-1.0	-38.48	326.86	4.54	-33.94
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886606	0	44	-1.0	-48.07	363.44	5.34	-42.73
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886606	1	44	-1.0	-48.12	363.50	5.35	-42.77
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886607	0	47	-1.0	-47.01	361.10	1.40	-45.61
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886607	1	47	-1.0	-47.02	361.17	1.41	-45.61
NC1=C2N=CN(CCC(=O)N3CCCC(CC4=N[N-]N=N4)C3)C2=NC=N1	REAL300019886608	0	45	-1.0	-54.29	367.61	5.57	-48.72
NC1=C2N=CN(CCC(=O)N3CCCC(CC4=NN=N[N-]4)C3)C2=NC=N1	REAL300019886608	1	45	-1.0	-54.31	367.67	5.58	-48.73
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886609	0	41	-1.0	-54.79	348.65	1.72	-53.07
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886609	1	41	-1.0	-54.77	348.71	1.73	-53.04
O=C(C1=CNN=C1I)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886610	0	33	-1.0	-39.09	298.08	2.54	-36.55
O=C(C1=CNN=C1I)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886610	1	33	-1.0	-39.08	298.15	2.54	-36.54
C[N@H+](CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)CC(C)(C)C	REAL300019886611	0	50	0.0	-63.14	356.98	6.29	-56.85
C[N@@H+](CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)CC(C)(C)C	REAL300019886611	1	50	0.0	-62.63	358.93	6.45	-56.18
C[N@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CC(C)(C)C	REAL300019886611	1	50	0.0	-63.14	357.04	6.31	-56.83
C[N@@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CC(C)(C)C	REAL300019886611	1	50	0.0	-62.67	358.99	6.47	-56.20
CN1C=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC1=O	REAL300019886612	0	38	-1.0	-63.05	310.98	4.48	-58.57
CN1C=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC1=O	REAL300019886612	1	38	-1.0	-63.04	310.92	4.48	-58.56
O=C(CC=CCC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886613	0	46	-1.0	-55.56	369.68	8.42	-47.14
O=C(CC=CCC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886613	1	46	-1.0	-55.57	369.75	8.42	-47.15
CC1=CC=C(NC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)N=CS2)C=C1	REAL300019886614	0	47	-1.0	-54.49	383.24	6.61	-47.88
CC1=CC=C(NC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)N=CS2)C=C1	REAL300019886614	1	47	-1.0	-54.46	383.18	6.60	-47.86
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2=CC=NC=C2)CCC1	REAL300019886615	0	45	-1.0	-44.27	343.85	5.62	-38.65
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2=CC=NC=C2)CCC1	REAL300019886615	1	45	-1.0	-44.24	343.79	5.61	-38.63
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886616	0	39	-1.0	-54.41	331.23	0.03	-54.38
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886616	1	39	-1.0	-54.43	331.30	0.03	-54.40
CN1CCOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1=O	REAL300019886617	0	41	-1.0	-46.06	319.02	2.51	-43.55
CN1CCOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1=O	REAL300019886617	1	41	-1.0	-46.07	319.08	2.52	-43.55
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886618	0	58	-1.0	-46.27	427.73	3.84	-42.43
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886618	1	58	-1.0	-46.28	427.80	3.85	-42.43
C#CCN(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019886619	0	51	-1.0	-60.68	403.52	6.66	-54.02
C#CCN(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019886619	1	51	-1.0	-60.71	403.58	6.67	-54.04
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886620	0	48	-1.0	-57.72	398.37	7.55	-50.17
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886620	1	48	-1.0	-57.72	398.30	7.54	-50.18
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2=CC=CC=N2)CC1	REAL300019886621	0	42	-1.0	-43.38	337.07	5.63	-37.75
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2=CC=CC=N2)CC1	REAL300019886621	1	42	-1.0	-43.38	337.01	5.63	-37.75
O=C(CC1CCCS1(=O)=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886622	0	42	-1.0	-62.30	335.04	2.06	-60.24
O=C(CC1CCCS1(=O)=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886622	1	42	-1.0	-62.33	335.10	2.07	-60.26
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886623	0	45	-1.0	-53.07	373.19	6.74	-46.33
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886623	1	45	-1.0	-53.10	373.27	6.75	-46.35
CC1=CC=C(C(=O)C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886624	0	45	-1.0	-50.92	366.79	7.25	-43.67
CC1=CC=C(C(=O)C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886624	1	45	-1.0	-50.97	366.86	7.26	-43.71
CC1=CN(C(C)(C)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886625	0	45	-1.0	-48.07	337.89	5.68	-42.39
CC1=CN(C(C)(C)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886625	1	45	-1.0	-48.04	337.95	5.70	-42.34
O=C(C1=CC=C2NC=NC2=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886626	0	39	-1.0	-70.24	321.79	4.89	-65.35
O=C(C1=CC=C2NC=NC2=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886626	1	39	-1.0	-70.23	321.85	4.90	-65.33
NC1=NN=NN1C1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886627	0	43	-1.0	-57.24	351.14	5.12	-52.12
NC1=NN=NN1C1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886627	1	43	-1.0	-57.26	351.07	5.12	-52.14
CC1=NN=C(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019886628	0	40	-1.0	-53.98	327.62	-0.06	-54.04
CC1=NN=C(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886628	1	40	-1.0	-53.99	327.68	-0.06	-54.05
O=C(C1=NN=C(C2CC2)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886629	0	38	-1.0	-50.20	313.84	0.90	-49.30
O=C(C1=NN=C(C2CC2)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886629	1	38	-1.0	-50.20	313.90	0.90	-49.30
CC1=CC=CC=C1NC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=CS1	REAL300019886630	0	47	-1.0	-55.00	378.45	6.50	-48.50
CC1=CC=CC=C1NC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=CS1	REAL300019886630	1	47	-1.0	-55.00	378.38	6.49	-48.51
CCN1C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CN=C1Br	REAL300019886631	0	39	-1.0	-49.61	328.76	4.88	-44.73
CCN1C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CN=C1Br	REAL300019886631	1	39	-1.0	-49.55	328.70	4.88	-44.67
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886632	0	39	-1.0	-60.34	333.09	3.15	-57.19
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886632	1	39	-1.0	-60.35	333.15	3.15	-57.20
O=C(NC(CO)C(=O)N1CCCC(CC2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300019886633	0	51	-1.0	-46.87	413.84	1.65	-45.22
O=C(NC(CO)C(=O)N1CCCC(CC2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300019886633	1	51	-1.0	-46.90	413.90	1.67	-45.23
O=C(C1=CC=CN2N=NN=C12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886634	0	37	-1.0	-63.08	311.33	3.57	-59.51
O=C(C1=CC=CN2N=NN=C12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886634	1	37	-1.0	-63.03	311.26	3.57	-59.46
O=C(C1=CC(F)=CNC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886635	0	36	-1.0	-60.32	300.54	2.23	-58.09
O=C(C1=CC(F)=CNC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886635	1	36	-1.0	-60.32	300.60	2.24	-58.08
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886636	0	39	-1.0	-52.80	341.82	6.46	-46.34
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886636	1	39	-1.0	-52.84	341.75	6.46	-46.38
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C(C#N)C=C1	REAL300019886637	0	46	-1.0	-48.57	352.41	7.08	-41.49
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C(C#N)C=C1	REAL300019886637	1	46	-1.0	-48.59	352.47	7.09	-41.50
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019886638	0	59	-1.0	-47.25	439.07	5.37	-41.88
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019886638	1	59	-1.0	-47.24	439.14	5.38	-41.86
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886639	0	40	-1.0	-52.48	346.44	6.23	-46.25
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886639	1	40	-1.0	-52.47	346.51	6.24	-46.23
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886640	0	46	-1.0	-60.79	390.46	5.99	-54.80
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886640	1	46	-1.0	-60.76	390.40	5.99	-54.77
O=CC1=CC=C(F)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886641	0	38	-1.0	-59.67	319.34	5.00	-54.67
O=CC1=CC=C(F)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886641	1	38	-1.0	-59.67	319.40	5.01	-54.66
O=CC1=CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886642	0	41	-1.0	-58.38	337.39	5.94	-52.44
O=CC1=CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886642	1	41	-1.0	-58.35	337.46	5.94	-52.41
O=CC1=CNC2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC=C12	REAL300019886643	0	42	-1.0	-68.40	342.70	4.96	-63.44
O=CC1=CNC2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CC=C12	REAL300019886643	1	42	-1.0	-68.44	342.76	4.97	-63.47
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886644	0	52	-1.0	-64.05	416.81	8.76	-55.29
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886644	1	52	-1.0	-64.08	416.88	8.77	-55.31
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886645	0	52	-1.0	-63.68	414.08	9.11	-54.57
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886645	1	52	-1.0	-63.69	414.15	9.12	-54.57
O=CC1=CC(Br)=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886646	0	38	-1.0	-40.27	329.65	5.43	-34.84
O=CC1=CC(Br)=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886646	1	38	-1.0	-40.29	329.69	5.45	-34.84
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886647	0	43	-1.0	-51.31	344.57	0.67	-50.64
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886647	1	43	-1.0	-51.32	344.50	0.67	-50.65
O=C(N1CCCC(CC2=N[N-]N=N2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019886648	0	47	-1.0	-48.18	357.90	4.10	-44.08
O=C(N1CCCC(CC2=NN=N[N-]2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019886648	1	47	-1.0	-48.15	357.96	4.11	-44.04
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886649	0	46	-1.0	-56.47	370.96	6.21	-50.26
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886649	1	46	-1.0	-56.46	371.03	6.21	-50.25
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CN=CC=N1	REAL300019886650	0	40	-1.0	-49.06	316.30	2.69	-46.37
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CN=CC=N1	REAL300019886650	1	40	-1.0	-49.08	316.36	2.70	-46.38
O=C(C1=CN=C2SC=CC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886651	0	38	-1.0	-51.66	321.83	4.58	-47.08
O=C(C1=CN=C2SC=CC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886651	1	38	-1.0	-51.67	321.76	4.58	-47.09
O=C(CC(F)(F)C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886652	0	35	-1.0	-54.51	303.99	4.54	-49.97
O=C(CC(F)(F)C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886652	1	35	-1.0	-54.54	304.05	4.54	-50.00
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886653	0	38	-1.0	-51.38	329.27	4.49	-46.89
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886653	1	38	-1.0	-51.39	329.20	4.48	-46.91
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886654	0	50	-1.0	-64.25	404.35	4.60	-59.65
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886654	1	50	-1.0	-64.24	404.41	4.61	-59.63
O=C(C1=COC(C(F)(F)F)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886655	0	35	-1.0	-46.48	306.85	2.18	-44.30
O=C(C1=COC(C(F)(F)F)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886655	1	35	-1.0	-46.41	306.79	2.18	-44.23
O=C(C1=C(F)C=NC=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886656	0	35	-1.0	-53.93	301.32	3.72	-50.21
O=C(C1=C(F)C=NC=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886656	1	35	-1.0	-53.88	301.26	3.71	-50.17
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886657	0	38	-1.0	-53.18	333.84	5.15	-48.03
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886657	1	38	-1.0	-53.14	333.78	5.15	-47.99
COC1=CC=C(C=O)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886658	0	42	-1.0	-59.42	342.09	4.51	-54.91
COC1=CC=C(C=O)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886658	1	42	-1.0	-59.44	342.15	4.51	-54.93
O=CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1F	REAL300019886659	0	38	-1.0	-59.36	318.70	4.97	-54.39
O=CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1F	REAL300019886659	1	38	-1.0	-59.40	318.77	4.98	-54.42
O=C(C1=CSN=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886660	0	32	-1.0	-55.28	289.90	3.34	-51.94
O=C(C1=CSN=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886660	1	32	-1.0	-55.28	289.83	3.34	-51.94
CS(=O)(=O)N1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886661	0	41	-1.0	-49.81	339.40	0.46	-49.35
CS(=O)(=O)N1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886661	1	41	-1.0	-49.85	339.46	0.47	-49.38
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886662	0	49	-1.0	-53.44	395.66	7.52	-45.92
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886662	1	49	-1.0	-53.46	395.59	7.51	-45.95
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886663	0	48	-1.0	-50.85	395.51	4.79	-46.06
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886663	1	48	-1.0	-50.89	395.57	4.79	-46.10
O=C(C1=CSC=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886664	0	33	-1.0	-56.77	295.87	4.71	-52.06
O=C(C1=CSC=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886664	1	33	-1.0	-56.77	295.94	4.71	-52.06
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886665	0	47	-1.0	-46.34	357.96	5.46	-40.88
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886665	1	47	-1.0	-46.38	358.02	5.47	-40.91
CC1=NC(C2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)S2)=CS1	REAL300019886666	0	42	-1.0	-54.64	367.60	5.77	-48.87
CC1=NC(C2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)S2)=CS1	REAL300019886666	1	42	-1.0	-54.62	367.54	5.77	-48.85
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886667	0	52	-1.0	-56.74	419.05	7.78	-48.96
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886667	1	52	-1.0	-56.77	419.11	7.79	-48.98
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886668	0	50	-1.0	-49.77	388.26	8.15	-41.62
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886668	1	50	-1.0	-49.76	388.32	8.17	-41.59
CCC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(C)(C)C	REAL300019886669	0	50	-1.0	-42.91	355.32	6.61	-36.30
CCC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(C)(C)C	REAL300019886669	1	50	-1.0	-42.94	355.39	6.61	-36.33
CCC1=CC=C(F)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886670	0	42	-1.0	-50.63	332.44	6.59	-44.04
CCC1=CC=C(F)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886670	1	42	-1.0	-50.66	332.51	6.60	-44.06
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886671	0	48	-1.0	-51.83	379.96	2.15	-49.68
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886671	1	48	-1.0	-51.82	380.02	2.16	-49.66
COCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CS1	REAL300019886672	0	40	-1.0	-56.69	334.03	3.96	-52.73
COCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CS1	REAL300019886672	1	40	-1.0	-56.69	334.10	3.97	-52.72
CN1C=CC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019886673	0	43	-1.0	-57.51	343.12	6.90	-50.61
CN1C=CC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019886673	1	43	-1.0	-57.54	343.18	6.91	-50.63
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019886674	0	48	-1.0	-45.88	374.14	7.27	-38.61
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019886674	1	48	-1.0	-45.88	374.07	7.26	-38.62
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2CCCCO2)CCC1	REAL300019886675	0	50	-1.0	-45.46	356.84	6.11	-39.35
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2CCCCO2)CCC1	REAL300019886675	1	50	-1.0	-45.45	356.90	6.12	-39.33
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019886676	0	48	-1.0	-46.02	376.60	8.03	-37.99
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019886676	1	48	-1.0	-46.02	376.66	8.04	-37.98
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019886677	0	47	-1.0	-55.83	370.23	6.41	-49.42
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019886677	1	47	-1.0	-55.82	370.17	6.40	-49.42
COC1=CC=C(F)C(OC)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886678	0	44	-1.0	-57.38	362.30	4.22	-53.16
COC1=CC=C(F)C(OC)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886678	1	44	-1.0	-57.37	362.36	4.23	-53.14
COC1=CC=NC(OC)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886679	0	43	-1.0	-60.65	350.08	1.50	-59.15
COC1=CC=NC(OC)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886679	1	43	-1.0	-60.57	350.02	1.50	-59.07
COC(=O)C1=NN(C)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886680	0	42	-1.0	-49.10	343.17	3.49	-45.61
COC(=O)C1=NN(C)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886680	1	42	-1.0	-49.05	343.11	3.49	-45.56
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C[C@H]1C	REAL300019886681	0	46	-1.0	-53.34	362.03	5.48	-47.86
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C[C@H]1C	REAL300019886681	1	46	-1.0	-53.37	362.09	5.50	-47.87
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886682	0	52	-1.0	-58.94	410.47	6.91	-52.03
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886682	1	52	-1.0	-58.95	410.53	6.91	-52.04
O=C(C=CC1=CC=C(Cl)S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886683	0	37	-1.0	-51.66	330.15	6.41	-45.25
O=C(C=CC1=CC=C(Cl)S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886683	1	37	-1.0	-51.69	330.21	6.41	-45.28
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886684	0	44	-1.0	-59.05	367.80	6.58	-52.47
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886684	1	44	-1.0	-59.03	367.86	6.58	-52.45
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886685	0	47	-1.0	-54.95	364.35	4.40	-50.55
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886685	1	47	-1.0	-54.92	364.29	4.40	-50.52
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCC(CC3=N[N-]N=N3)C1)OC2=O	REAL300019886686	0	49	-1.0	-42.57	362.04	5.94	-36.63
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCC(CC3=NN=N[N-]3)C1)OC2=O	REAL300019886686	1	49	-1.0	-42.57	362.10	5.95	-36.62
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C(C2=CC=CC=C2)O1	REAL300019886687	0	46	-1.0	-52.34	372.74	7.88	-44.46
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C(C2=CC=CC=C2)O1	REAL300019886687	1	46	-1.0	-52.36	372.80	7.88	-44.48
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886688	0	44	-1.0	-49.92	348.63	3.68	-46.24
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886688	1	44	-1.0	-49.94	348.69	3.69	-46.25
O=C(CC1CCC(F)(F)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886689	0	45	-1.0	-43.92	344.54	6.62	-37.30
O=C(CC1CCC(F)(F)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886689	1	45	-1.0	-43.91	344.61	6.64	-37.27
CC1=CN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300019886690	0	42	-1.0	-65.89	355.98	5.21	-60.68
CC1=CN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300019886690	1	42	-1.0	-65.90	355.92	5.20	-60.70
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886691	0	46	-1.0	-45.66	362.16	8.20	-37.46
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886691	1	46	-1.0	-45.73	362.22	8.21	-37.52
O=C(C1=CC=C(C(F)F)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886692	0	36	-1.0	-50.26	305.65	4.54	-45.72
O=C(C1=CC=C(C(F)F)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886692	1	36	-1.0	-50.28	305.72	4.54	-45.74
O=C(C1=C(C(F)F)N=CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886693	0	35	-1.0	-56.90	294.96	1.05	-55.85
O=C(C1=C(C(F)F)N=CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886693	1	35	-1.0	-56.91	295.02	1.06	-55.85
O=C(C1=CC=CC(C#CCO)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886694	0	42	-1.0	-62.96	348.89	3.95	-59.01
O=C(C1=CC=CC(C#CCO)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886694	1	42	-1.0	-63.00	348.95	3.96	-59.04
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886695	0	50	-1.0	-47.21	386.80	-0.34	-47.55
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886695	1	50	-1.0	-47.20	386.87	-0.32	-47.52
O=C(CCCN1C=NC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886696	0	41	-1.0	-53.68	332.30	6.43	-47.25
O=C(CCCN1C=NC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886696	1	41	-1.0	-53.68	332.24	6.42	-47.26
CC1=C(C=O)C(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N1	REAL300019886697	0	42	-1.0	-53.53	334.93	4.41	-49.12
CC1=C(C=O)C(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N1	REAL300019886697	1	42	-1.0	-53.57	335.00	4.41	-49.16
O=C(CN1CCNC(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886698	0	42	-1.0	-63.13	326.36	-0.44	-63.57
O=C(CN1CCNC(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886698	1	42	-1.0	-63.14	326.43	-0.44	-63.58
COC1=CC(CO)=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886699	0	44	-1.0	-61.51	351.82	2.05	-59.46
COC1=CC(CO)=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886699	1	44	-1.0	-61.51	351.89	2.05	-59.46
O=C(CC1CCN(CC(F)F)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886700	0	50	-1.0	-47.26	371.30	4.55	-42.71
O=C(CC1CCN(CC(F)F)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886700	1	50	-1.0	-47.30	371.36	4.57	-42.73
COC1=CC(OC)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1C=O	REAL300019886701	0	46	-1.0	-47.49	363.50	4.72	-42.77
COC1=CC(OC)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1C=O	REAL300019886701	1	46	-1.0	-47.52	363.54	4.71	-42.81
NC1=C2N=CN(CCCC(=O)N3CCCC(CC4=N[N-]N=N4)C3)C2=NC=N1	REAL300019886702	0	48	-1.0	-56.29	388.63	6.36	-49.93
NC1=C2N=CN(CCCC(=O)N3CCCC(CC4=NN=N[N-]4)C3)C2=NC=N1	REAL300019886702	1	48	-1.0	-56.34	388.69	6.38	-49.96
NC1=C2N=CN(CCCCC(=O)N3CCCC(CC4=N[N-]N=N4)C3)C2=NC=N1	REAL300019886703	0	51	-1.0	-50.47	410.13	7.15	-43.32
NC1=C2N=CN(CCCCC(=O)N3CCCC(CC4=NN=N[N-]4)C3)C2=NC=N1	REAL300019886703	1	51	-1.0	-50.47	410.19	7.16	-43.31
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)[NH+]1CCCCC1	REAL300019886704	0	51	0.0	-57.63	352.31	6.14	-51.49
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019886704	1	51	0.0	-57.66	352.37	6.14	-51.52
O=C(CC(O)COCC1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886705	0	50	-1.0	-52.21	400.42	4.87	-47.34
O=C(CC(O)COCC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886705	1	50	-1.0	-52.24	400.48	4.89	-47.35
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(Cl)=NN1	REAL300019886706	0	36	-1.0	-52.67	312.42	2.83	-49.84
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(Cl)=NN1	REAL300019886706	1	36	-1.0	-52.75	312.50	2.85	-49.90
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886707	0	47	-1.0	-49.74	377.33	6.42	-43.32
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886707	1	47	-1.0	-49.76	377.40	6.43	-43.33
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886708	0	56	-1.0	-45.87	420.04	6.31	-39.56
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886708	1	56	-1.0	-45.87	420.10	6.32	-39.55
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886709	0	42	-1.0	-54.73	354.14	7.39	-47.34
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886709	1	42	-1.0	-54.67	354.08	7.38	-47.29
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019886710	0	46	-1.0	-71.96	368.91	3.47	-68.49
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019886710	1	46	-1.0	-71.96	368.98	3.47	-68.49
CC1CCC2=NC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CN2C1	REAL300019886711	0	46	-1.0	-55.03	354.37	6.77	-48.26
CC1CCC2=NC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CN2C1	REAL300019886711	1	46	-1.0	-55.03	354.43	6.77	-48.26
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886712	0	45	-1.0	-56.88	361.90	6.90	-49.98
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886712	1	45	-1.0	-56.87	361.83	6.90	-49.97
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886713	0	50	-1.0	-56.94	397.10	10.12	-46.82
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886713	1	50	-1.0	-57.00	397.16	10.13	-46.87
CC1=NC=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019886714	0	39	-1.0	-54.38	330.17	4.68	-49.70
CC1=NC=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019886714	1	39	-1.0	-54.36	330.23	4.68	-49.68
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886715	0	46	-1.0	-67.18	362.47	4.45	-62.73
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886715	1	46	-1.0	-67.18	362.41	4.45	-62.73
O=C(C1=CC=NC2=CC=NN21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886716	0	38	-1.0	-57.67	315.98	4.12	-53.55
O=C(C1=CC=NC2=CC=NN21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886716	1	38	-1.0	-57.68	315.91	4.11	-53.57
NC(=O)C1=CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886717	0	42	-1.0	-58.06	345.98	1.27	-56.79
NC(=O)C1=CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886717	1	42	-1.0	-58.07	345.91	1.26	-56.81
O=CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019886718	0	35	-1.0	-55.46	303.39	4.01	-51.45
O=CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019886718	1	35	-1.0	-55.52	303.45	4.01	-51.51
O=C(C1=NC=CN=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886719	0	34	-1.0	-56.48	291.20	2.85	-53.63
O=C(C1=NC=CN=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886719	1	34	-1.0	-56.47	291.14	2.85	-53.62
O=C(C1=NC2=CC=NN2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886720	0	38	-1.0	-50.27	312.15	4.92	-45.35
O=C(C1=NC2=CC=NN2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886720	1	38	-1.0	-50.27	312.09	4.92	-45.35
CN1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N(C)C1=O	REAL300019886721	0	40	-1.0	-58.22	323.94	3.93	-54.29
CN1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N(C)C1=O	REAL300019886721	1	40	-1.0	-58.29	324.00	3.94	-54.35
CC1=C(C)C(=O)N(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1=O	REAL300019886722	0	46	-1.0	-57.25	376.98	4.84	-52.41
CC1=C(C)C(=O)N(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1=O	REAL300019886722	1	46	-1.0	-57.25	377.04	4.85	-52.40
O=C(C1CC2CSCC(C1)C2=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886723	0	46	-1.0	-44.94	344.81	5.79	-39.15
O=C(C1CC2CSCC(C1)C2=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886723	1	46	-1.0	-44.98	344.87	5.80	-39.18
CCOC(=O)C1CCCN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886724	0	53	-1.0	-53.01	406.07	5.11	-47.90
CCOC(=O)C1CCCN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886724	1	53	-1.0	-53.03	406.14	5.12	-47.91
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886724	1	54	0.0	-64.81	407.48	7.29	-57.52
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886724	1	54	0.0	-64.88	407.50	7.29	-57.59
CCC(C)C(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1C=CC=C1C=O	REAL300019886725	0	51	-1.0	-43.42	378.05	6.95	-36.47
CCC(C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1C=CC=C1C=O	REAL300019886725	1	51	-1.0	-43.44	378.11	6.96	-36.48
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886726	0	56	0.0	-67.37	400.33	6.06	-61.31
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886726	1	56	0.0	-67.45	400.39	6.07	-61.38
O=C(C1CCC(N2CCOCC2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886726	1	55	-1.0	-44.76	387.91	3.57	-41.19
O=C(C1CCC(N2CCOCC2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886726	1	55	-1.0	-44.79	387.97	3.58	-41.21
CC1=NNC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300019886727	0	39	-1.0	-53.54	323.67	3.48	-50.06
CC1=NNC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300019886727	1	39	-1.0	-53.54	323.74	3.48	-50.06
O=CC1=CC=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019886728	0	42	-1.0	-59.91	346.10	6.44	-53.47
O=CC1=CC=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019886728	1	42	-1.0	-59.91	346.16	6.44	-53.47
O=CC1=CC(F)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1F	REAL300019886729	0	38	-1.0	-40.52	324.50	5.04	-35.48
O=CC1=CC(F)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1F	REAL300019886729	1	38	-1.0	-40.56	324.56	5.04	-35.52
CN1CCOC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019886730	0	46	-1.0	-53.74	355.17	3.79	-49.95
CN1CCOC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019886730	1	46	-1.0	-53.73	355.23	3.79	-49.94
CC1CCN2C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)N=C2C1	REAL300019886731	0	46	-1.0	-55.03	354.46	6.80	-48.23
CC1CCN2C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)N=C2C1	REAL300019886731	1	46	-1.0	-55.01	354.52	6.80	-48.21
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886732	0	52	0.0	-65.64	360.88	4.47	-61.17
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886732	1	52	0.0	-65.59	360.95	4.49	-61.10
CC(C)(CN1CCOCC1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886732	1	51	-1.0	-46.35	363.22	2.71	-43.64
CC(C)(CN1CCOCC1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886732	1	51	-1.0	-46.36	363.29	2.71	-43.65
CN1CC[N@H+](C)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886733	0	50	0.0	-57.57	361.55	3.90	-53.67
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886733	1	50	0.0	-58.69	359.22	3.80	-54.89
CN1CC[N@H+](C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886733	1	50	0.0	-57.62	361.61	3.91	-53.71
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886733	1	50	0.0	-58.73	359.29	3.82	-54.91
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889202	0	61	-1.0	-45.47	444.88	5.17	-40.30
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889202	1	61	-1.0	-45.51	444.94	5.18	-40.33
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889203	0	42	-1.0	-49.30	345.90	5.81	-43.49
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889203	1	42	-1.0	-49.28	345.96	5.81	-43.47
CC1=C2C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)N=CC2=NN1	REAL300019889204	0	41	-1.0	-55.62	332.50	3.54	-52.08
CC1=C2C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)N=CC2=NN1	REAL300019889204	1	41	-1.0	-55.59	332.57	3.55	-52.04
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889205	0	39	-1.0	-58.06	332.66	6.62	-51.44
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889205	1	39	-1.0	-58.02	332.60	6.61	-51.41
O=C(CCCCC1CSSC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889206	0	47	-1.0	-48.12	381.30	8.69	-39.43
O=C(CCCCC1CSSC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889206	1	47	-1.0	-48.16	381.36	8.70	-39.46
CNC(=O)N1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019889207	0	48	-1.0	-53.40	364.47	3.38	-50.02
CNC(=O)N1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019889207	1	48	-1.0	-53.48	364.53	3.38	-50.10
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889208	0	41	-1.0	-51.79	340.82	5.96	-45.83
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889208	1	41	-1.0	-51.79	340.76	5.96	-45.83
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCC1	REAL300019889209	0	59	-1.0	-41.91	430.94	5.78	-36.13
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCC1	REAL300019889209	1	59	-1.0	-41.94	431.00	5.79	-36.15
O=C(C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889210	0	52	-1.0	-42.28	410.19	9.99	-32.29
O=C(C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889210	1	52	-1.0	-42.35	410.25	10.00	-32.35
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889211	0	52	-1.0	-42.62	409.75	8.99	-33.63
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889211	1	52	-1.0	-42.67	409.81	9.00	-33.67
CC1=CC2=CC=CN=C2C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889212	0	44	-1.0	-45.07	344.23	6.51	-38.56
CC1=CC2=CC=CN=C2C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889212	1	44	-1.0	-45.06	344.22	6.51	-38.55
O=C(C1=CN=C2N=CC=CN12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889213	0	38	-1.0	-57.21	308.11	6.03	-51.18
O=C(C1=CN=C2N=CC=CN12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889213	1	38	-1.0	-57.20	308.04	6.03	-51.17
O=C(CC1=CC(Br)=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889214	0	36	-1.0	-52.48	325.80	5.95	-46.53
O=C(CC1=CC(Br)=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889214	1	36	-1.0	-52.49	325.87	5.95	-46.54
CC1OC2(C)CC1(C(=O)N1CCCC(CC3=N[N-]N=N3)C1)C2	REAL300019889215	0	44	-1.0	-42.68	331.89	3.97	-38.71
CC1OC2(C)CC1(C(=O)N1CCCC(CC3=NN=N[N-]3)C1)C2	REAL300019889215	1	44	-1.0	-42.66	331.95	3.99	-38.67
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12COC(C=CC1)C2	REAL300019889216	0	42	-1.0	-44.72	312.25	3.74	-40.98
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12COC(C=CC1)C2	REAL300019889216	1	42	-1.0	-44.76	312.32	3.75	-41.01
CN1C=C(C2=CC=CC=C2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019889217	0	46	-1.0	-63.41	367.53	6.54	-56.87
CN1C=C(C2=CC=CC=C2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019889217	1	46	-1.0	-63.38	367.46	6.54	-56.84
O=C(C1=C(C2CCC2)ON=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889218	0	42	-1.0	-50.20	331.73	5.48	-44.72
O=C(C1=C(C2CCC2)ON=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889218	1	42	-1.0	-50.23	331.80	5.49	-44.74
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C2=CC=CN=C2C=C1	REAL300019889219	0	44	-1.0	-54.58	352.81	6.11	-48.47
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C2=CC=CN=C2C=C1	REAL300019889219	1	44	-1.0	-54.52	352.75	6.11	-48.41
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889220	0	47	-1.0	-54.35	391.14	9.49	-44.86
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889220	1	47	-1.0	-54.37	391.20	9.50	-44.87
COC1(C2=CC=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=C2)COC1	REAL300019889221	0	48	-1.0	-59.92	370.38	4.53	-55.39
COC1(C2=CC=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C2)COC1	REAL300019889221	1	48	-1.0	-59.96	370.44	4.54	-55.42
COCCN1C=CC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=CC=C21	REAL300019889222	0	50	-1.0	-44.75	399.67	6.89	-37.86
COCCN1C=CC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=CC=C21	REAL300019889222	1	50	-1.0	-44.74	399.74	6.90	-37.84
CC(C)N1C=CC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=CC=C21	REAL300019889223	0	49	-1.0	-45.48	384.07	8.31	-37.17
CC(C)N1C=CC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=CC=C21	REAL300019889223	1	49	-1.0	-45.45	384.14	8.31	-37.14
C[C@@H](C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300019889224	0	42	-1.0	-45.09	332.71	6.57	-38.52
C[C@@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300019889224	1	42	-1.0	-45.10	332.77	6.59	-38.51
CCC(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)CC(F)(F)F	REAL300019889225	0	44	-1.0	-46.45	339.89	6.05	-40.40
CCC(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CC(F)(F)F	REAL300019889225	1	44	-1.0	-46.47	339.95	6.06	-40.41
O=C(C1=CC=NN1CC1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889226	0	43	-1.0	-52.52	339.36	5.39	-47.13
O=C(C1=CC=NN1CC1CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889226	1	43	-1.0	-52.50	339.29	5.38	-47.12
O=C(C1CCC(F)(F)CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889227	0	40	-1.0	-49.02	315.08	4.52	-44.50
O=C(C1CCC(F)(F)CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889227	1	40	-1.0	-49.00	315.15	4.53	-44.47
C[C@@H]1C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C[C@H](C)O1	REAL300019889228	0	46	-1.0	-45.48	348.10	4.77	-40.71
C[C@@H]1C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C[C@H](C)O1	REAL300019889228	1	46	-1.0	-45.45	348.16	4.78	-40.67
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12COC(C1)CCC2	REAL300019889229	0	44	-1.0	-42.18	317.15	3.82	-38.36
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12COC(C1)CCC2	REAL300019889229	1	44	-1.0	-42.20	317.22	3.83	-38.37
CC12CCC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)(CO1)C2	REAL300019889230	0	44	-1.0	-44.58	327.53	3.92	-40.66
CC12CCC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)(CO1)C2	REAL300019889230	1	44	-1.0	-44.60	327.59	3.94	-40.66
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889231	0	52	-1.0	-45.04	411.84	10.12	-34.92
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889231	1	52	-1.0	-45.01	411.90	10.12	-34.89
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889232	0	42	-1.0	-50.86	357.30	6.45	-44.41
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889232	1	42	-1.0	-50.85	357.24	6.44	-44.41
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889233	0	42	-1.0	-50.63	367.62	6.90	-43.73
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889233	1	42	-1.0	-50.64	367.55	6.89	-43.75
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889234	0	42	-1.0	-52.46	367.66	6.90	-45.56
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889234	1	42	-1.0	-52.40	367.59	6.90	-45.50
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)NC2=CC(F)=CC(F)=C21	REAL300019889235	0	43	-1.0	-51.47	351.07	6.33	-45.14
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)NC2=CC(F)=CC(F)=C21	REAL300019889235	1	43	-1.0	-51.48	351.13	6.33	-45.15
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889236	0	59	-1.0	-45.05	439.90	5.44	-39.61
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889236	1	59	-1.0	-45.08	439.96	5.45	-39.63
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889237	0	36	-1.0	-58.54	318.54	5.84	-52.70
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889237	1	36	-1.0	-58.54	318.60	5.85	-52.69
COC(=O)CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019889238	0	45	-1.0	-58.17	366.86	6.65	-51.52
COC(=O)CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019889238	1	45	-1.0	-58.20	366.92	6.66	-51.54
NC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C(F)C(F)=C1F	REAL300019889239	0	38	-1.0	-45.73	320.58	3.44	-42.29
NC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C(F)C(F)=C1F	REAL300019889239	1	38	-1.0	-45.72	320.65	3.44	-42.28
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889240	0	59	-1.0	-53.99	436.27	7.13	-46.86
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889240	1	59	-1.0	-53.99	436.33	7.14	-46.85
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889241	0	53	-1.0	-48.17	392.69	5.87	-42.30
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889241	1	53	-1.0	-48.20	392.75	5.88	-42.32
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889242	0	61	-1.0	-41.52	431.65	6.70	-34.82
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889242	1	61	-1.0	-41.56	431.71	6.71	-34.85
O=C(C1=C(Br)C=CN=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889243	0	35	-1.0	-54.84	315.19	4.06	-50.78
O=C(C1=C(Br)C=CN=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889243	1	35	-1.0	-54.87	315.13	4.06	-50.81
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889244	0	38	-1.0	-51.81	325.05	3.43	-48.38
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889244	1	38	-1.0	-51.88	325.11	3.44	-48.44
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CO1	REAL300019889245	0	52	-1.0	-51.17	413.94	1.55	-49.62
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CO1	REAL300019889245	1	52	-1.0	-51.22	414.00	1.56	-49.66
CN(C)C1=CC=C(Br)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889246	0	44	-1.0	-55.86	360.29	6.17	-49.69
CN(C)C1=CC=C(Br)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889246	1	44	-1.0	-55.90	360.35	6.17	-49.73
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889247	0	46	-1.0	-59.82	371.20	3.75	-56.07
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889247	1	46	-1.0	-59.82	371.27	3.75	-56.07
O=C(C1=NN2CC(F)CC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889248	0	40	-1.0	-54.97	322.43	4.48	-50.49
O=C(C1=NN2CC(F)CC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889248	1	40	-1.0	-54.99	322.49	4.49	-50.50
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCN(CCC1)S2(=O)=O	REAL300019889249	0	45	-1.0	-48.66	339.88	1.37	-47.29
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCN(CCC1)S2(=O)=O	REAL300019889249	1	45	-1.0	-48.72	339.94	1.38	-47.34
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889250	0	45	-1.0	-43.84	368.37	4.62	-39.22
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889250	1	45	-1.0	-43.81	368.31	4.61	-39.20
CC1=CC=CC(C2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CC2(F)F)=C1	REAL300019889251	0	46	-1.0	-43.82	364.96	7.74	-36.08
CC1=CC=CC(C2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CC2(F)F)=C1	REAL300019889251	1	46	-1.0	-43.83	365.02	7.75	-36.08
O=C(C1=C(C2CC2)ON=C1Br)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889252	0	39	-1.0	-48.72	344.83	5.81	-42.91
O=C(C1=C(C2CC2)ON=C1Br)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889252	1	39	-1.0	-48.75	344.90	5.81	-42.94
N#CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC2C=CC1C2	REAL300019889253	0	42	-1.0	-45.58	322.79	5.53	-40.05
N#CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC2C=CC1C2	REAL300019889253	1	42	-1.0	-45.59	322.85	5.55	-40.04
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889254	0	37	-1.0	-52.26	322.23	4.34	-47.92
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889254	1	37	-1.0	-52.28	322.29	4.34	-47.94
CC1=CC2=C(C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)N2)O1	REAL300019889255	0	40	-1.0	-55.44	322.52	4.54	-50.90
CC1=CC2=C(C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)N2)O1	REAL300019889255	1	40	-1.0	-55.52	322.59	4.55	-50.97
CC(C)C1=CNC2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=NC2=C1	REAL300019889256	0	48	-1.0	-67.94	376.29	6.04	-61.90
CC(C)C1=CNC2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=NC2=C1	REAL300019889256	1	48	-1.0	-67.97	376.36	6.05	-61.92
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889258	0	38	-1.0	-69.91	332.46	4.63	-65.28
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889258	1	38	-1.0	-69.95	332.53	4.64	-65.31
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889259	0	59	-1.0	-43.95	446.87	3.58	-40.37
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889259	1	59	-1.0	-43.96	446.93	3.60	-40.36
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889260	0	43	-1.0	-46.53	359.26	8.02	-38.51
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889260	1	43	-1.0	-46.49	359.32	8.03	-38.46
C=CCN(CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019889261	0	56	-1.0	-54.85	435.12	7.18	-47.67
C=CCN(CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019889261	1	56	-1.0	-54.84	435.18	7.18	-47.66
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889262	0	59	-1.0	-52.12	440.45	6.84	-45.28
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889262	1	59	-1.0	-52.14	440.51	6.85	-45.29
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=CC2=CC=CC=C21	REAL300019889263	0	45	-1.0	-54.93	351.93	7.97	-46.96
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CC2=CC=CC=C21	REAL300019889263	1	45	-1.0	-54.95	352.00	7.97	-46.98
COC1=CC=CC(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019889264	0	45	-1.0	-52.42	361.89	3.77	-48.65
COC1=CC=CC(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019889264	1	45	-1.0	-52.53	361.95	3.78	-48.75
CN1N=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C2=C1CCOC2	REAL300019889265	0	44	-1.0	-58.29	343.67	3.55	-54.74
CN1N=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C2=C1CCOC2	REAL300019889265	1	44	-1.0	-58.31	343.73	3.56	-54.75
CC1=CC=CC([C@@H](C)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889266	0	45	-1.0	-42.63	347.73	7.19	-35.44
CC1=CC=CC([C@@H](C)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889266	1	45	-1.0	-42.66	347.78	7.21	-35.45
COC1=CC(C)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019889267	0	42	-1.0	-50.35	334.63	2.47	-47.88
COC1=CC(C)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019889267	1	42	-1.0	-50.34	334.70	2.48	-47.86
CC1=CC=C(C2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CCC(=O)CC2)C=C1	REAL300019889268	0	54	-1.0	-46.10	397.26	8.03	-38.07
CC1=CC=C(C2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CCC(=O)CC2)C=C1	REAL300019889268	1	54	-1.0	-46.10	397.32	8.05	-38.05
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2CCOCC2)CC1(F)F	REAL300019889269	0	47	-1.0	-49.64	353.63	4.62	-45.02
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2CCOCC2)CC1(F)F	REAL300019889269	1	47	-1.0	-49.65	353.69	4.62	-45.03
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019889270	0	44	-1.0	-54.96	368.49	4.25	-50.71
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019889270	1	44	-1.0	-54.95	368.42	4.25	-50.70
CN1C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC2=C1C=CS2	REAL300019889271	0	40	-1.0	-52.70	329.10	5.80	-46.90
CN1C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC2=C1C=CS2	REAL300019889271	1	40	-1.0	-52.71	329.16	5.80	-46.91
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NN1CC(F)F	REAL300019889272	0	42	-1.0	-53.43	343.60	4.48	-48.95
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NN1CC(F)F	REAL300019889272	1	42	-1.0	-53.44	343.66	4.48	-48.96
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=NN1C1CCC1	REAL300019889273	0	46	-1.0	-53.00	357.77	5.64	-47.36
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=NN1C1CCC1	REAL300019889273	1	46	-1.0	-53.04	357.83	5.64	-47.40
O=C(C1=C2CCCCC2=CN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889274	0	44	-1.0	-57.14	336.55	5.97	-51.17
O=C(C1=C2CCCCC2=CN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889274	1	44	-1.0	-57.16	336.61	5.97	-51.19
COCCOCC=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889275	0	44	-1.0	-58.85	355.37	3.08	-55.77
COCCOCC=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889275	1	44	-1.0	-58.85	355.44	3.08	-55.77
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CO1	REAL300019889276	0	57	-1.0	-51.04	431.32	2.88	-48.16
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CO1	REAL300019889276	1	57	-1.0	-51.07	431.39	2.90	-48.17
COC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019889277	0	54	-1.0	-44.92	413.66	3.76	-41.16
COC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019889277	1	54	-1.0	-44.93	413.72	3.77	-41.16
CC1=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)SC=C1	REAL300019889278	0	39	-1.0	-53.76	323.49	5.91	-47.85
CC1=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)SC=C1	REAL300019889278	1	39	-1.0	-53.79	323.55	5.91	-47.88
CCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1C=NC=N1	REAL300019889279	0	41	-1.0	-43.80	323.96	5.94	-37.86
CCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1C=NC=N1	REAL300019889279	1	41	-1.0	-43.77	323.89	5.92	-37.85
CC1=NN(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C)=C1C	REAL300019889280	0	45	-1.0	-59.75	355.80	5.19	-54.56
CC1=NN(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C)=C1C	REAL300019889280	1	45	-1.0	-59.77	355.86	5.20	-54.57
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019889281	0	53	-1.0	-53.69	410.84	3.92	-49.77
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019889281	1	53	-1.0	-53.72	410.91	3.93	-49.79
C#CCC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCOC1	REAL300019889282	0	42	-1.0	-45.68	323.10	3.64	-42.04
C#CCC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCOC1	REAL300019889282	1	42	-1.0	-45.70	323.16	3.66	-42.04
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889283	0	39	-1.0	-57.84	337.15	6.51	-51.33
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889283	1	39	-1.0	-57.84	337.21	6.52	-51.32
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019889284	0	43	-1.0	-47.32	361.37	7.68	-39.64
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019889284	1	43	-1.0	-47.30	361.44	7.68	-39.62
CC(=O)C1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CS1	REAL300019889285	0	37	-1.0	-55.63	318.82	3.60	-52.03
CC(=O)C1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CS1	REAL300019889285	1	37	-1.0	-55.63	318.88	3.60	-52.03
COC1=NN(C)C(Br)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889286	0	40	-1.0	-54.58	350.22	1.60	-52.98
COC1=NN(C)C(Br)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889286	1	40	-1.0	-54.51	350.16	1.59	-52.92
CC(=O)NC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(F)=C1	REAL300019889287	0	43	-1.0	-62.27	348.02	4.08	-58.19
CC(=O)NC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(F)=C1	REAL300019889287	1	43	-1.0	-62.28	348.09	4.09	-58.19
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889288	0	39	-1.0	-55.92	335.65	5.40	-50.52
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889288	1	39	-1.0	-55.96	335.71	5.41	-50.55
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=C2)CC1	REAL300019889289	0	49	-1.0	-72.88	402.11	4.71	-68.17
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C2)CC1	REAL300019889289	1	49	-1.0	-72.91	402.18	4.71	-68.20
CC1=C2C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)SC2=C(C)S1	REAL300019889290	0	42	-1.0	-53.58	361.11	7.18	-46.40
CC1=C2C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)SC2=C(C)S1	REAL300019889290	1	42	-1.0	-53.59	361.18	7.18	-46.41
O=C(C1=CN2N=CC=C2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889291	0	39	-1.0	-56.38	318.17	5.02	-51.36
O=C(C1=CN2N=CC=C2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889291	1	39	-1.0	-56.37	318.11	5.03	-51.34
O=C(C1CCCC2=NN=CN21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889292	0	42	-1.0	-51.52	327.33	6.04	-45.48
O=C(C1CCCC2=NN=CN21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889292	1	42	-1.0	-51.52	327.39	6.04	-45.48
CC1(C)CCCC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019889293	0	49	-1.0	-47.43	362.40	6.24	-41.19
CC1(C)CCCC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019889293	1	49	-1.0	-47.49	362.47	6.26	-41.23
COC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CN=C1	REAL300019889294	0	42	-1.0	-49.36	334.65	4.23	-45.13
COC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CN=C1	REAL300019889294	1	42	-1.0	-49.37	334.59	4.22	-45.15
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889295	0	59	-1.0	-46.96	432.33	5.00	-41.96
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889295	1	59	-1.0	-46.97	432.39	5.01	-41.96
CCN1C(=O)CCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889296	0	43	-1.0	-50.72	328.74	4.25	-46.47
CCN1C(=O)CCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889296	1	43	-1.0	-50.72	328.82	4.26	-46.46
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889297	0	39	-1.0	-55.70	360.62	7.66	-48.04
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889297	1	39	-1.0	-55.72	360.69	7.67	-48.05
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCC(CC3=N[N-]N=N3)C1)C2	REAL300019889298	0	48	-1.0	-55.85	361.24	2.55	-53.30
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCC(CC3=NN=N[N-]3)C1)C2	REAL300019889298	1	48	-1.0	-55.82	361.31	2.57	-53.25
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889299	0	43	-1.0	-57.31	353.75	7.69	-49.62
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889299	1	43	-1.0	-57.33	353.81	7.69	-49.64
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCC(CC3=N[N-]N=N3)C1)=C2	REAL300019889300	0	50	-1.0	-62.04	392.92	7.00	-55.04
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCC(CC3=NN=N[N-]3)C1)=C2	REAL300019889300	1	50	-1.0	-62.03	392.99	7.00	-55.03
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889301	0	44	-1.0	-63.85	355.77	6.00	-57.85
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889301	1	44	-1.0	-63.87	355.84	6.01	-57.86
COC1=CC2=NC=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C2C=C1	REAL300019889302	0	45	-1.0	-54.58	358.92	4.90	-49.68
COC1=CC2=NC=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=C2C=C1	REAL300019889302	1	45	-1.0	-54.58	358.86	4.90	-49.68
O=C(C1=CC=NC2=C1CCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889303	0	42	-1.0	-43.45	331.69	5.34	-38.11
O=C(C1=CC=NC2=C1CCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889303	1	42	-1.0	-43.43	331.75	5.35	-38.08
CCSC1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019889304	0	49	-1.0	-46.72	367.73	7.29	-39.43
CCSC1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019889304	1	49	-1.0	-46.73	367.80	7.30	-39.43
CC1=CC(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC(C)=N1	REAL300019889305	0	47	-1.0	-52.78	373.61	6.47	-46.31
CC1=CC(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC(C)=N1	REAL300019889305	1	47	-1.0	-52.80	373.68	6.48	-46.32
CC1=CC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2C=C1	REAL300019889306	0	45	-1.0	-42.17	357.44	8.09	-34.08
CC1=CC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2C=C1	REAL300019889306	1	45	-1.0	-42.18	357.50	8.10	-34.08
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889307	0	59	-1.0	-49.59	441.06	6.79	-42.80
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889307	1	59	-1.0	-49.61	441.12	6.81	-42.80
O=C(CCC1=CC=CC(=O)N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889308	0	42	-1.0	-56.72	340.16	3.80	-52.92
O=C(CCC1=CC=CC(=O)N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889308	1	42	-1.0	-56.75	340.22	3.81	-52.94
O=C(C1=CSC(Cl)=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889309	0	33	-1.0	-55.64	312.87	5.33	-50.31
O=C(C1=CSC(Cl)=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889309	1	33	-1.0	-55.68	312.94	5.33	-50.35
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889310	0	48	-1.0	-62.01	380.29	4.60	-57.41
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889310	1	48	-1.0	-62.06	380.35	4.60	-57.46
CC1=NN(C2CCC2)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889311	0	46	-1.0	-56.57	356.70	5.40	-51.17
CC1=NN(C2CCC2)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889311	1	46	-1.0	-56.59	356.76	5.41	-51.18
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889312	0	43	-1.0	-54.25	355.12	6.44	-47.81
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889312	1	43	-1.0	-54.26	355.05	6.43	-47.83
O=C(C1=CNC=C1Br)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889313	0	34	-1.0	-61.22	297.57	3.76	-57.46
O=C(C1=CNC=C1Br)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889313	1	34	-1.0	-61.21	297.64	3.76	-57.45
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889314	0	46	-1.0	-66.04	387.33	5.16	-60.88
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889314	1	46	-1.0	-66.05	387.39	5.17	-60.88
CCC1=C(C)SC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889315	0	42	-1.0	-54.38	339.53	6.34	-48.04
CCC1=C(C)SC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889315	1	42	-1.0	-54.39	339.59	6.35	-48.04
O=C(C1CC(OC(F)(F)F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889316	0	40	-1.0	-44.94	332.11	4.02	-40.92
O=C(C1CC(OC(F)(F)F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889316	1	40	-1.0	-44.91	332.18	4.03	-40.88
CS(=O)(=O)C1=COC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889317	0	39	-1.0	-59.94	333.73	0.90	-59.04
CS(=O)(=O)C1=COC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889317	1	39	-1.0	-59.94	333.79	0.91	-59.03
O=C(CC1=CC=C2COCCC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889318	0	47	-1.0	-56.47	367.79	6.30	-50.17
O=C(CC1=CC=C2COCCC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889318	1	47	-1.0	-56.55	367.85	6.31	-50.24
O=C(CC1=CC=C2CCOCC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889319	0	47	-1.0	-55.03	367.79	6.30	-48.73
O=C(CC1=CC=C2CCOCC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889319	1	47	-1.0	-55.01	367.86	6.31	-48.70
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889320	0	45	-1.0	-51.25	365.63	6.83	-44.42
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889320	1	45	-1.0	-51.29	365.57	6.82	-44.47
CC1=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1Br	REAL300019889321	0	38	-1.0	-49.64	323.99	5.33	-44.31
CC1=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1Br	REAL300019889321	1	38	-1.0	-49.69	324.06	5.33	-44.36
COC1=CC(Br)=CN=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889322	0	39	-1.0	-41.40	335.13	4.93	-36.47
COC1=CC(Br)=CN=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889322	1	39	-1.0	-41.38	335.06	4.92	-36.46
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889323	0	45	-1.0	-65.35	371.53	2.77	-62.58
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889323	1	45	-1.0	-65.35	371.60	2.78	-62.57
O=C(C1CCOC(=O)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889324	0	42	-1.0	-52.85	323.94	4.72	-48.13
O=C(C1CCOC(=O)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889324	1	42	-1.0	-52.86	324.00	4.73	-48.13
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889325	0	43	-1.0	-54.42	353.85	6.45	-47.97
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889325	1	43	-1.0	-54.40	353.91	6.45	-47.95
CCN1N=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1C	REAL300019889326	0	41	-1.0	-50.26	325.88	3.46	-46.80
CCN1N=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1C	REAL300019889326	1	41	-1.0	-50.28	325.95	3.46	-46.82
CCC1=CC=C(N2C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)N=N2)C=C1	REAL300019889327	0	48	-1.0	-49.72	386.52	6.88	-42.84
CCC1=CC=C(N2C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)N=N2)C=C1	REAL300019889327	1	48	-1.0	-49.67	386.46	6.87	-42.80
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889328	0	41	-2.0	-96.82	352.45	3.77	-93.05
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889328	1	41	-2.0	-96.84	352.51	3.78	-93.06
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889329	0	46	-1.0	-57.31	390.36	7.72	-49.59
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889329	1	46	-1.0	-57.27	390.30	7.72	-49.55
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CN(C)C1=O	REAL300019889330	0	42	-1.0	-51.56	335.84	4.74	-46.82
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CN(C)C1=O	REAL300019889330	1	42	-1.0	-51.55	335.91	4.75	-46.80
O=C(CC1CCCC(F)(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889331	0	45	-1.0	-45.09	344.53	6.61	-38.48
O=C(CC1CCCC(F)(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889331	1	45	-1.0	-45.07	344.60	6.63	-38.44
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889332	0	57	-1.0	-44.35	423.58	9.88	-34.47
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889332	1	57	-1.0	-44.37	423.64	9.89	-34.48
O=C(CC1CC(C(F)F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889333	0	42	-1.0	-46.19	331.17	6.07	-40.12
O=C(CC1CC(C(F)F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889333	1	42	-1.0	-46.17	331.23	6.08	-40.09
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889334	0	47	-1.0	-53.11	376.28	6.93	-46.18
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889334	1	47	-1.0	-53.13	376.35	6.94	-46.19
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889335	0	44	-1.0	-60.19	363.80	5.30	-54.89
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CCCN1C=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889386	1	43	-1.0	-53.97	334.99	6.30	-47.67
CC(C)(C)N1C=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019889387	0	48	-1.0	-58.43	376.92	6.03	-52.40
CC(C)(C)N1C=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019889387	1	48	-1.0	-58.44	376.86	6.02	-52.42
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889388	0	43	-1.0	-61.74	354.36	5.29	-56.45
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889388	1	43	-1.0	-61.76	354.42	5.29	-56.47
CC1=CC=C(C2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CC2)C(F)=C1	REAL300019889389	0	46	-1.0	-48.39	366.07	7.82	-40.57
CC1=CC=C(C2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CC2)C(F)=C1	REAL300019889389	1	46	-1.0	-48.40	366.13	7.84	-40.56
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889390	0	36	-2.0	-111.72	319.46	3.97	-107.75
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889390	1	36	-2.0	-111.72	319.52	3.97	-107.75
CCCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=NN1CC	REAL300019889391	0	47	-1.0	-50.70	368.72	4.96	-45.74
CCCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=NN1CC	REAL300019889391	1	47	-1.0	-50.73	368.79	4.96	-45.77
CCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)SC(C2=NNC=N2)=N1	REAL300019889392	0	44	-1.0	-57.70	371.53	4.55	-53.15
CCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)SC(C2=NNC=N2)=N1	REAL300019889392	1	44	-1.0	-57.73	371.59	4.55	-53.18
O=C(NC1=CC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1CCCCC1	REAL300019889393	0	55	-1.0	-53.63	417.19	7.24	-46.39
O=C(NC1=CC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1)N1CCCCC1	REAL300019889393	1	55	-1.0	-53.64	417.26	7.25	-46.39
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889394	0	45	-1.0	-56.70	379.96	6.33	-50.37
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889394	1	45	-1.0	-56.67	379.90	6.32	-50.35
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889395	0	39	-1.0	-50.65	335.09	5.44	-45.21
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889395	1	39	-1.0	-50.67	335.16	5.45	-45.22
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889396	0	46	-1.0	-55.31	367.04	6.21	-49.10
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889396	1	46	-1.0	-55.40	367.10	6.22	-49.18
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889397	0	48	-1.0	-53.84	387.40	3.89	-49.95
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889397	1	48	-1.0	-53.86	387.47	3.90	-49.96
CC1=NNC2=C1CC(C(=O)N1CCCC(CC3=N[N-]N=N3)C1)CC2	REAL300019889398	0	46	-1.0	-44.94	353.69	4.69	-40.25
CC1=NNC2=C1CC(C(=O)N1CCCC(CC3=NN=N[N-]3)C1)CC2	REAL300019889398	1	46	-1.0	-45.43	352.87	4.64	-40.79
CC1=C2CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CCC2=NN1	REAL300019889398	1	46	-1.0	-44.94	353.69	4.69	-40.25
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889399	0	47	-1.0	-56.69	373.95	5.40	-51.29
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889399	1	47	-1.0	-56.65	374.01	5.40	-51.25
CSC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300019889400	0	42	-1.0	-51.59	353.70	6.76	-44.83
CSC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300019889400	1	42	-1.0	-51.60	353.76	6.76	-44.84
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889401	0	46	-1.0	-47.36	357.74	6.18	-41.18
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889401	1	46	-1.0	-47.42	357.80	6.19	-41.23
C=C1CCC1(C(=O)OC)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889402	0	43	-1.0	-39.98	327.65	4.97	-35.01
C=C1CCC1(C(=O)OC)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889402	1	43	-1.0	-40.00	327.71	4.97	-35.03
NS(=O)(=O)C1=COC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889403	0	38	-1.0	-59.25	327.19	-1.67	-60.92
NS(=O)(=O)C1=COC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889403	1	38	-1.0	-59.28	327.25	-1.67	-60.95
N#CC1=CC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=NN2C=C1	REAL300019889404	0	40	-1.0	-59.20	339.53	5.41	-53.79
N#CC1=CC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=NN2C=C1	REAL300019889404	1	40	-1.0	-59.23	339.46	5.41	-53.82
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889405	0	46	-1.0	-45.91	374.36	6.52	-39.39
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889405	1	46	-1.0	-45.95	374.43	6.53	-39.42
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889406	0	50	-1.0	-54.26	389.31	4.18	-50.08
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889406	1	50	-1.0	-54.23	389.38	4.20	-50.03
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889407	0	40	-1.0	-44.28	337.10	4.27	-40.01
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889407	1	40	-1.0	-44.23	337.16	4.28	-39.95
O=C(C1=CN2N=NC=C2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889408	0	38	-1.0	-58.41	312.82	3.73	-54.68
O=C(C1=CN2N=NC=C2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889408	1	38	-1.0	-58.34	312.75	3.73	-54.61
C[C@@H]1CC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)NN=C2[C@H](C)O1	REAL300019889409	0	47	-1.0	-55.20	364.23	3.74	-51.46
C[C@@H]1CC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)NN=C2[C@H](C)O1	REAL300019889409	1	47	-1.0	-55.26	364.29	3.74	-51.52
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[C@H](C)O1	REAL300019889409	1	47	-1.0	-55.20	364.23	3.74	-51.46
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[C@H](C)O1	REAL300019889409	1	47	-1.0	-55.26	364.29	3.74	-51.52
O=C(C1=CN(CCO)N=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889410	0	39	-1.0	-50.60	320.39	-0.40	-51.00
O=C(C1=CN(CCO)N=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889410	1	39	-1.0	-50.55	320.32	-0.41	-50.96
O=C(CCC1=C(Br)C=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889411	0	39	-1.0	-51.41	345.18	6.65	-44.76
O=C(CCC1=C(Br)C=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889411	1	39	-1.0	-51.42	345.25	6.65	-44.77
O=C(CCNC1=CN=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889412	0	42	-1.0	-56.32	339.09	3.19	-53.13
O=C(CCNC1=CN=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889412	1	42	-1.0	-56.29	339.02	3.19	-53.10
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889413	0	57	-1.0	-46.26	423.00	8.23	-38.03
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889413	1	57	-1.0	-46.30	423.06	8.25	-38.05
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889414	0	45	-1.0	-57.22	371.37	6.07	-51.15
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889414	1	45	-1.0	-57.20	371.31	6.05	-51.15
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889415	0	43	-1.0	-56.74	362.87	6.70	-50.04
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889415	1	43	-1.0	-56.73	362.81	6.69	-50.04
O=C(CC1CC2(CCC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889416	0	46	-1.0	-44.45	350.26	7.15	-37.30
O=C(CC1CC2(CCC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889416	1	46	-1.0	-44.47	350.32	7.16	-37.31
O=C(C1CCCC(F)(F)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889417	0	45	-1.0	-48.19	335.46	6.12	-42.07
O=C(C1CCCC(F)(F)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889417	1	45	-1.0	-48.16	335.53	6.13	-42.03
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889418	0	43	-1.0	-47.33	341.84	4.70	-42.63
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889418	1	43	-1.0	-47.35	341.90	4.71	-42.64
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889419	0	44	-1.0	-57.73	358.89	6.88	-50.85
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889419	1	44	-1.0	-57.71	358.95	6.89	-50.82
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889420	0	43	-1.0	-57.41	349.60	7.38	-50.03
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889420	1	43	-1.0	-57.43	349.66	7.39	-50.04
O=C(CCCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)NC1=CC=CC=C1	REAL300019889421	0	55	-1.0	-54.83	433.31	7.60	-47.23
O=C(CCCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)NC1=CC=CC=C1	REAL300019889421	1	55	-1.0	-54.85	433.37	7.62	-47.23
O=C(C1CCC2=CC=NN2C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889422	0	43	-1.0	-44.92	334.03	4.66	-40.26
O=C(C1CCC2=CC=NN2C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889422	1	43	-1.0	-44.90	334.09	4.67	-40.23
O=C(C1=C2C=NSC2=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889423	0	38	-1.0	-58.28	320.64	5.27	-53.01
O=C(C1=C2C=NSC2=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889423	1	38	-1.0	-58.25	320.57	5.26	-52.99
O=C(C1=CC=CC2=NON=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889424	0	37	-1.0	-41.78	306.72	4.05	-37.73
O=C(C1=CC=CC2=NON=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889424	1	37	-1.0	-41.77	306.66	4.05	-37.72
CN1C=C(OCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019889425	0	40	-1.0	-59.21	327.89	3.91	-55.30
CN1C=C(OCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019889425	1	40	-1.0	-59.18	327.83	3.91	-55.27
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(Cl)=C1	REAL300019889426	0	42	-1.0	-61.17	365.44	3.21	-57.96
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(Cl)=C1	REAL300019889426	1	42	-1.0	-61.23	365.50	3.22	-58.01
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC(C2CC2)=NO1	REAL300019889427	0	44	-1.0	-42.80	344.50	4.96	-37.84
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC(C2CC2)=NO1	REAL300019889427	1	44	-1.0	-42.81	344.56	4.97	-37.84
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NO1	REAL300019889428	0	52	-1.0	-51.46	413.72	3.69	-47.77
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NO1	REAL300019889428	1	52	-1.0	-51.45	413.78	3.70	-47.75
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889429	0	41	-1.0	-49.73	344.04	6.24	-43.49
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889429	1	41	-1.0	-49.77	344.11	6.24	-43.53
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019889430	0	43	-1.0	-48.89	348.52	7.19	-41.70
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019889430	1	43	-1.0	-48.93	348.58	7.19	-41.74
CN(C)C1=CC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2C=C1	REAL300019889431	0	50	-1.0	-57.22	387.86	7.83	-49.39
CN(C)C1=CC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2C=C1	REAL300019889431	1	50	-1.0	-57.23	387.93	7.84	-49.39
COC1(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019889432	0	57	-1.0	-52.81	435.57	5.30	-47.51
COC1(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019889432	1	57	-1.0	-52.75	435.63	5.32	-47.43
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(CC2=NNN=C2)CCCC1	REAL300019889433	0	48	-1.0	-50.38	357.06	3.81	-46.57
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(CC2=NNN=C2)CCCC1	REAL300019889433	1	48	-1.0	-50.39	357.13	3.83	-46.56
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889434	0	57	-1.0	-54.61	427.26	7.30	-47.31
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889434	1	57	-1.0	-54.58	427.19	7.30	-47.28
C#CC1=CC=C(C2CC2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019889435	0	45	-1.0	-48.08	360.26	8.63	-39.45
C#CC1=CC=C(C2CC2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019889435	1	45	-1.0	-48.05	360.32	8.64	-39.41
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C2=CC=CC=C2C=N1	REAL300019889436	0	44	-1.0	-56.74	353.77	6.27	-50.47
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C2=CC=CC=C2C=N1	REAL300019889436	1	44	-1.0	-56.71	353.83	6.28	-50.43
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2CCC2)CC1(F)F	REAL300019889437	0	43	-1.0	-41.89	327.25	6.05	-35.84
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2CCC2)CC1(F)F	REAL300019889437	1	43	-1.0	-41.84	327.31	6.05	-35.79
CN1N=CC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300019889438	0	48	-1.0	-55.45	381.28	6.29	-49.16
CN1N=CC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300019889438	1	48	-1.0	-55.43	381.35	6.30	-49.13
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019889439	0	46	-1.0	-40.87	354.44	6.56	-34.31
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019889439	1	46	-1.0	-40.88	354.50	6.58	-34.30
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889440	0	56	-1.0	-56.95	422.10	4.68	-52.27
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889440	1	56	-1.0	-56.99	422.16	4.70	-52.29
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889441	0	48	-1.0	-44.51	352.02	6.70	-37.81
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889441	1	48	-1.0	-44.50	352.08	6.71	-37.79
COC1=CC=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300019889442	0	52	-1.0	-60.78	415.89	5.95	-54.83
COC1=CC=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300019889442	1	52	-1.0	-60.82	415.95	5.95	-54.87
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889443	0	52	-1.0	-52.49	395.60	5.29	-47.20
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889443	1	52	-1.0	-52.49	395.66	5.29	-47.20
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889444	0	41	-1.0	-69.23	328.99	1.70	-67.53
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889444	1	41	-1.0	-69.21	328.93	1.70	-67.51
CC=CC1=CC=C(OCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(OC)=C1	REAL300019889445	0	51	-1.0	-62.99	405.02	7.86	-55.13
CC=CC1=CC=C(OCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(OC)=C1	REAL300019889445	1	51	-1.0	-63.01	405.08	7.86	-55.15
O=C(C1CC(=O)CC12CCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889446	0	45	-1.0	-43.66	337.23	5.87	-37.79
O=C(C1CC(=O)CC12CCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889446	1	45	-1.0	-43.64	337.29	5.89	-37.75
CC1=CNC2=NC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C12	REAL300019889447	0	42	-1.0	-55.67	338.16	5.07	-50.60
CC1=CNC2=NC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C12	REAL300019889447	1	42	-1.0	-55.66	338.22	5.08	-50.58
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889448	0	43	-1.0	-56.98	353.69	3.87	-53.11
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889448	1	43	-1.0	-57.00	353.75	3.88	-53.12
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889449	0	53	-1.0	-44.86	400.27	7.98	-36.88
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889449	1	53	-1.0	-44.87	400.33	7.99	-36.88
CC1=NN=C(CC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2)O1	REAL300019889450	0	47	-1.0	-60.65	383.05	2.53	-58.12
CC1=NN=C(CC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2)O1	REAL300019889450	1	47	-1.0	-60.63	383.11	2.54	-58.09
O=C(C1CC2=CC=CN=C2C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889451	0	42	-1.0	-47.33	329.92	5.40	-41.93
O=C(C1CC2=CC=CN=C2C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889451	1	42	-1.0	-47.31	329.99	5.40	-41.91
O=C(C1CC(C2CC2)=NO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889452	0	41	-1.0	-52.25	326.83	5.32	-46.93
O=C(C1CC(C2CC2)=NO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889452	1	41	-1.0	-52.28	326.89	5.33	-46.95
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889453	0	48	-1.0	-55.96	383.16	8.87	-47.09
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889453	1	48	-1.0	-56.00	383.22	8.88	-47.12
CC1=CC2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CN=C2C(F)=C1	REAL300019889454	0	44	-1.0	-52.50	357.09	6.18	-46.32
CC1=CC2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CN=C2C(F)=C1	REAL300019889454	1	44	-1.0	-52.45	357.03	6.17	-46.28
CN1C=C(C2=NC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CO2)C=N1	REAL300019889455	0	42	-1.0	-53.95	350.36	2.59	-51.36
CN1C=C(C2=NC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CO2)C=N1	REAL300019889455	1	42	-1.0	-53.95	350.30	2.59	-51.36
COC1=C2C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)NC2=C(C)C=C1	REAL300019889456	0	47	-1.0	-57.49	370.92	5.58	-51.91
COC1=C2C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)NC2=C(C)C=C1	REAL300019889456	1	47	-1.0	-57.50	370.98	5.59	-51.91
CCCCOC1=CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019889457	0	52	-1.0	-55.05	408.47	8.02	-47.03
CCCCOC1=CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019889457	1	52	-1.0	-55.09	408.53	8.02	-47.07
COC1=NC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2C=C1	REAL300019889458	0	45	-1.0	-53.93	361.66	4.03	-49.90
COC1=NC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2C=C1	REAL300019889458	1	45	-1.0	-53.96	361.61	4.03	-49.93
CC1=CN2C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CN=C2S1	REAL300019889459	0	39	-1.0	-55.71	327.04	5.50	-50.21
CC1=CN2C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CN=C2S1	REAL300019889459	1	39	-1.0	-55.70	326.98	5.50	-50.20
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889460	0	46	-1.0	-52.23	383.22	6.54	-45.69
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889460	1	46	-1.0	-52.26	383.28	6.54	-45.72
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889461	0	33	-1.0	-49.39	312.68	5.30	-44.09
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889461	1	33	-1.0	-49.41	312.74	5.31	-44.10
CC(C)(C)C1=CC=NC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889462	0	47	-1.0	-54.61	361.12	6.58	-48.03
CC(C)(C)C1=CC=NC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889462	1	47	-1.0	-54.60	361.05	6.58	-48.02
COC1CC2(C1)CCC(C(=O)N1CCCC(CC3=N[N-]N=N3)C1)CC2	REAL300019889463	0	53	-1.0	-45.63	392.33	6.25	-39.38
COC1CC2(C1)CCC(C(=O)N1CCCC(CC3=NN=N[N-]3)C1)CC2	REAL300019889463	1	53	-1.0	-45.58	392.40	6.27	-39.31
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889464	0	54	-1.0	-46.16	408.81	9.38	-36.78
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889464	1	54	-1.0	-46.14	408.87	9.39	-36.75
CCC(C)(C)C1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019889465	0	57	-1.0	-42.69	387.54	7.85	-34.84
CCC(C)(C)C1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019889465	1	57	-1.0	-42.66	387.60	7.86	-34.80
CC1=CC2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CN=C2C=C1	REAL300019889466	0	44	-1.0	-53.29	351.12	6.10	-47.19
CC1=CC2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CN=C2C=C1	REAL300019889466	1	44	-1.0	-53.27	351.05	6.09	-47.18
CN1C=C(C2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=NO2)N=N1	REAL300019889467	0	41	-1.0	-58.46	343.85	3.36	-55.10
CN1C=C(C2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=NO2)N=N1	REAL300019889467	1	41	-1.0	-58.51	343.92	3.36	-55.15
O=C(C1COC2COCC21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889468	0	42	-1.0	-49.12	311.80	1.79	-47.33
O=C(C1COC2COCC21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889468	1	42	-1.0	-49.09	311.87	1.80	-47.29
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889469	0	48	-1.0	-46.27	361.65	6.39	-39.88
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889469	1	48	-1.0	-46.28	361.71	6.40	-39.88
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889470	0	43	-1.0	-63.35	345.31	4.92	-58.43
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889470	1	43	-1.0	-63.44	345.37	4.93	-58.51
CCC(CCC1=CC=CC=C1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889471	0	51	-1.0	-45.55	386.02	8.58	-36.97
CCC(CCC1=CC=CC=C1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889471	1	51	-1.0	-45.59	386.09	8.59	-37.00
COC1(C(F)(F)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCC1	REAL300019889472	0	46	-1.0	-43.57	345.01	5.55	-38.02
COC1(C(F)(F)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCC1	REAL300019889472	1	46	-1.0	-43.59	345.07	5.56	-38.03
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889473	0	50	-1.0	-53.52	389.16	7.09	-46.43
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889473	1	50	-1.0	-53.54	389.22	7.09	-46.45
O=C(C1CC12CCC(F)(F)CC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889474	0	46	-1.0	-44.81	355.01	7.10	-37.71
O=C(C1CC12CCC(F)(F)CC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889474	1	46	-1.0	-44.74	355.07	7.12	-37.62
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N=C1Br	REAL300019889475	0	38	-1.0	-50.77	323.63	5.33	-45.44
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N=C1Br	REAL300019889475	1	38	-1.0	-50.78	323.57	5.32	-45.46
CN(C)C1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300019889476	0	46	-1.0	-52.08	370.36	6.48	-45.60
CN(C)C1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300019889476	1	46	-1.0	-52.09	370.42	6.49	-45.60
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889477	0	40	-1.0	-51.67	341.48	5.07	-46.60
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889477	1	40	-1.0	-51.66	341.41	5.06	-46.60
COC(=O)C1=CSC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889478	0	39	-1.0	-60.65	334.85	4.79	-55.86
COC(=O)C1=CSC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889478	1	39	-1.0	-60.68	334.91	4.80	-55.88
CC(C)(C)C1=CN=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889479	0	47	-1.0	-53.15	361.42	5.74	-47.41
CC(C)(C)C1=CN=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889479	1	47	-1.0	-53.10	361.36	5.74	-47.36
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889480	0	44	-1.0	-53.20	375.61	7.25	-45.95
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889480	1	44	-1.0	-53.23	375.68	7.25	-45.98
N#CC1=CC=C(C2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)N=CO2)C=C1	REAL300019889481	0	43	-1.0	-57.39	370.32	4.25	-53.14
N#CC1=CC=C(C2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)N=CO2)C=C1	REAL300019889481	1	43	-1.0	-57.34	370.26	4.24	-53.10
COC1CC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1(C)C	REAL300019889482	0	49	-1.0	-47.39	369.72	5.39	-42.00
COC1CC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1(C)C	REAL300019889482	1	49	-1.0	-47.40	369.79	5.40	-42.00
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019889483	0	46	-1.0	-43.50	374.83	7.33	-36.17
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019889483	1	46	-1.0	-43.49	374.89	7.34	-36.15
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889484	0	56	-1.0	-41.60	424.91	5.06	-36.54
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889484	1	56	-1.0	-41.63	424.97	5.07	-36.56
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=NN21	REAL300019889485	0	50	-1.0	-64.43	386.61	6.59	-57.84
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=NN21	REAL300019889485	1	50	-1.0	-64.42	386.55	6.59	-57.83
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCCN1C(=O)CCCC2	REAL300019889486	0	50	-1.0	-51.60	359.63	5.09	-46.51
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCCN1C(=O)CCCC2	REAL300019889486	1	50	-1.0	-51.64	359.69	5.10	-46.54
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019889487	0	46	-1.0	-47.16	363.57	7.60	-39.56
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019889487	1	46	-1.0	-47.12	363.62	7.60	-39.52
O=C(C1CCC2(CC2(F)F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889488	0	43	-1.0	-47.90	336.89	6.36	-41.54
O=C(C1CCC2(CC2(F)F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889488	1	43	-1.0	-47.87	336.96	6.36	-41.51
O=C(C1CCCC2C1C2(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889489	0	43	-1.0	-50.06	329.20	6.30	-43.76
O=C(C1CCCC2C1C2(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889489	1	43	-1.0	-50.08	329.26	6.31	-43.77
C=C1CC2(C1)CC(C(=O)N1CCCC(CC3=N[N-]N=N3)C1)C2	REAL300019889490	0	44	-1.0	-44.02	341.67	6.81	-37.21
C=C1CC2(C1)CC(C(=O)N1CCCC(CC3=NN=N[N-]3)C1)C2	REAL300019889490	1	44	-1.0	-44.02	341.73	6.82	-37.20
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889491	0	47	-1.0	-51.63	364.86	6.82	-44.81
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889491	1	47	-1.0	-51.63	364.92	6.82	-44.81
O=C(CCC1=CC=CC(Br)=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889492	0	42	-1.0	-54.59	361.68	7.66	-46.93
O=C(CCC1=CC=CC(Br)=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889492	1	42	-1.0	-54.60	361.74	7.67	-46.93
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889493	0	54	-1.0	-42.00	360.25	7.43	-34.57
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889493	1	54	-1.0	-42.03	360.31	7.44	-34.59
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C[C@@H]12	REAL300019889494	0	54	-1.0	-46.97	415.65	4.83	-42.14
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C[C@@H]12	REAL300019889494	1	54	-1.0	-46.95	415.71	4.83	-42.12
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C(F)F)=NN1C	REAL300019889495	0	42	-1.0	-57.71	349.36	4.39	-53.32
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C(F)F)=NN1C	REAL300019889495	1	42	-1.0	-57.72	349.42	4.40	-53.32
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889496	0	47	-1.0	-54.99	356.74	4.69	-50.30
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889496	1	47	-1.0	-54.97	356.80	4.70	-50.27
CCC1=CC=C(C(=O)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019889497	0	41	-1.0	-47.35	342.55	5.89	-41.46
CCC1=CC=C(C(=O)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019889497	1	41	-1.0	-47.34	342.62	5.89	-41.45
COC1=CC(Br)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1F	REAL300019889498	0	40	-1.0	-41.58	343.76	5.15	-36.43
COC1=CC(Br)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1F	REAL300019889498	1	40	-1.0	-41.60	343.74	5.16	-36.44
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889499	0	54	-1.0	-54.07	415.02	4.79	-49.28
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889499	1	54	-1.0	-54.03	415.08	4.79	-49.24
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889500	0	57	-1.0	-46.66	430.52	6.56	-40.10
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889500	1	57	-1.0	-46.64	430.58	6.57	-40.07
O=C(C1=CC(C2CCCC2)=NN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889501	0	46	-1.0	-51.24	352.75	5.11	-46.13
O=C(C1=CC(C2CCCC2)=NN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889501	1	46	-1.0	-51.23	352.82	5.12	-46.11
CC1(C)OC2=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC=C2NC1=O	REAL300019889502	0	48	-1.0	-40.95	380.26	3.73	-37.22
CC1(C)OC2=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CC=C2NC1=O	REAL300019889502	1	48	-1.0	-40.94	380.33	3.74	-37.20
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889503	0	44	-1.0	-56.75	346.64	4.29	-52.46
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889503	1	44	-1.0	-56.73	346.71	4.30	-52.43
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019889504	0	44	-1.0	-58.16	363.28	4.07	-54.09
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019889504	1	44	-1.0	-58.16	363.35	4.08	-54.08
COC(=O)C1=CC=CC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=CC=C12	REAL300019889505	0	48	-1.0	-54.66	384.21	7.92	-46.74
COC(=O)C1=CC=CC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=CC=C12	REAL300019889505	1	48	-1.0	-54.66	384.28	7.93	-46.73
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889506	0	43	-1.0	-49.84	341.69	1.72	-48.12
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889506	1	43	-1.0	-49.83	341.77	1.72	-48.11
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=NC=C1C(F)F	REAL300019889507	0	41	-1.0	-52.55	332.69	5.62	-46.93
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=NC=C1C(F)F	REAL300019889507	1	41	-1.0	-52.57	332.76	5.62	-46.95
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889508	0	44	-1.0	-62.54	357.15	3.49	-59.05
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889508	1	44	-1.0	-62.56	357.22	3.49	-59.07
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889509	0	45	-1.0	-51.36	354.00	3.08	-48.28
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889509	1	45	-1.0	-51.34	353.94	3.08	-48.26
O=C(C1CCC2C1C2(F)F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889510	0	40	-1.0	-47.37	311.44	5.63	-41.74
O=C(C1CCC2C1C2(F)F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889510	1	40	-1.0	-47.36	311.50	5.63	-41.73
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889511	0	40	-1.0	-52.59	341.74	5.12	-47.47
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889511	1	40	-1.0	-52.53	341.67	5.12	-47.41
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889512	0	56	-1.0	-44.49	431.06	3.07	-41.42
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889512	1	56	-1.0	-44.50	431.12	3.09	-41.41
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889513	0	59	-1.0	-54.07	436.89	6.66	-47.41
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889513	1	59	-1.0	-54.16	436.96	6.67	-47.49
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889514	0	56	-1.0	-48.38	414.42	5.00	-43.38
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889514	1	56	-1.0	-48.37	414.48	5.01	-43.36
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889515	0	57	-1.0	-46.10	436.71	5.66	-40.44
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889515	1	57	-1.0	-46.04	436.77	5.67	-40.37
COC1=CC=CC=C1OC(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889516	0	47	-1.0	-52.11	365.71	6.21	-45.90
COC1=CC=CC=C1OC(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889516	1	47	-1.0	-52.07	365.77	6.23	-45.84
CC1=C(Cl)C=NN1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889517	0	39	-1.0	-58.61	332.42	4.55	-54.06
CC1=C(Cl)C=NN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889517	1	39	-1.0	-58.61	332.48	4.56	-54.05
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889518	0	50	-1.0	-53.71	388.51	4.14	-49.57
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889518	1	50	-1.0	-53.71	388.57	4.15	-49.56
CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1S(=O)(=O)N(C)C	REAL300019889519	0	50	-1.0	-66.07	389.80	3.57	-62.50
CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1S(=O)(=O)N(C)C	REAL300019889519	1	50	-1.0	-66.09	389.86	3.58	-62.51
CCC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)N2C=C(C)SC2=N1	REAL300019889520	0	45	-1.0	-53.13	375.99	7.04	-46.09
CCC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)N2C=C(C)SC2=N1	REAL300019889520	1	45	-1.0	-53.12	376.06	7.04	-46.08
O=C(C1CCC(C2CCCO2)O1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889521	0	48	-1.0	-47.99	363.53	4.73	-43.26
O=C(C1CCC(C2CCCO2)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889521	1	48	-1.0	-48.00	363.59	4.74	-43.26
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889522	0	57	-1.0	-51.50	421.20	7.36	-44.14
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889522	1	57	-1.0	-51.53	421.26	7.36	-44.17
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889523	0	39	-1.0	-56.01	343.65	6.58	-49.43
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889523	1	39	-1.0	-56.02	343.71	6.58	-49.44
CC1=CC(F)=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300019889524	0	41	-1.0	-53.12	335.86	6.38	-46.74
CC1=CC(F)=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300019889524	1	41	-1.0	-53.12	335.92	6.38	-46.74
CN1N=NC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=CC=C21	REAL300019889525	0	41	-1.0	-73.89	333.52	3.76	-70.13
CN1N=NC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=CC=C21	REAL300019889525	1	41	-1.0	-73.85	333.45	3.75	-70.10
O=C(C1=CN=C2OCCCC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889526	0	43	-1.0	-53.07	338.67	2.65	-50.42
O=C(C1=CN=C2OCCCC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889526	1	43	-1.0	-53.04	338.60	2.65	-50.39
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889527	0	41	-1.0	-48.30	340.46	4.60	-43.70
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889527	1	41	-1.0	-48.31	340.53	4.60	-43.71
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300019889528	0	45	-1.0	-40.47	364.43	7.78	-32.69
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300019889528	1	45	-1.0	-40.48	364.49	7.80	-32.68
CC1=CC2=C(C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)S2)S1	REAL300019889529	0	39	-1.0	-53.35	338.85	6.51	-46.84
CC1=CC2=C(C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)S2)S1	REAL300019889529	1	39	-1.0	-53.37	338.92	6.51	-46.86
O=C(CC12CCC(CC1)C2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889530	0	46	-1.0	-44.25	337.08	6.79	-37.46
O=C(CC12CCC(CC1)C2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889530	1	46	-1.0	-44.22	337.14	6.81	-37.41
O=C(C1CC=CC2=CC=CC=C21)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889531	0	44	-1.0	-46.64	344.40	7.58	-39.06
O=C(C1CC=CC2=CC=CC=C21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889531	1	44	-1.0	-46.67	344.46	7.58	-39.09
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889532	0	47	-1.0	-57.18	383.93	1.79	-55.39
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889532	1	47	-1.0	-57.17	383.99	1.79	-55.38
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889533	0	42	-1.0	-50.43	365.59	7.62	-42.81
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889533	1	42	-1.0	-50.41	365.65	7.63	-42.78
O=C(C1=CN2C=NN=C2C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889534	0	37	-1.0	-50.92	306.75	5.41	-45.51
O=C(C1=CN2C=NN=C2C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889534	1	37	-1.0	-50.86	306.68	5.40	-45.46
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889535	0	49	-1.0	-45.93	400.46	9.10	-36.83
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889535	1	49	-1.0	-45.95	400.52	9.12	-36.83
CN1N=CC(C#N)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889536	0	37	-1.0	-55.33	317.32	3.30	-52.03
CN1N=CC(C#N)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889536	1	37	-1.0	-55.32	317.25	3.29	-52.03
CON(CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019889537	0	53	-1.0	-54.53	413.02	5.60	-48.93
CON(CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019889537	1	53	-1.0	-54.60	413.08	5.60	-49.00
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889538	0	38	-1.0	-51.89	330.75	3.02	-48.87
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889538	1	38	-1.0	-51.93	330.81	3.03	-48.90
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889539	0	49	-1.0	-50.98	387.03	3.97	-47.01
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889539	1	49	-1.0	-50.96	387.10	3.97	-46.99
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889540	0	41	-1.0	-56.21	329.35	5.56	-50.65
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889540	1	41	-1.0	-56.17	329.29	5.56	-50.61
COC(=O)C1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C(F)C=N1	REAL300019889541	0	41	-1.0	-52.88	346.97	4.14	-48.74
COC(=O)C1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C(F)C=N1	REAL300019889541	1	41	-1.0	-52.86	346.91	4.14	-48.72
CC1=CC2=C(OCC2)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019889542	0	44	-1.0	-43.58	343.23	6.02	-37.56
CC1=CC2=C(OCC2)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019889542	1	44	-1.0	-43.55	343.28	6.02	-37.53
O=C(C1=C2SC=CC2=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889543	0	38	-1.0	-56.41	322.19	4.72	-51.69
O=C(C1=C2SC=CC2=CN=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889543	1	38	-1.0	-56.37	322.12	4.72	-51.65
CC(C)C(C)C(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889544	0	50	-1.0	-43.34	359.04	6.74	-36.60
CC(C)C(C)C(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889544	1	50	-1.0	-43.35	359.10	6.75	-36.60
COC1CC2(C1)CC(C(=O)N1CCCC(CC3=N[N-]N=N3)C1)C2	REAL300019889545	0	47	-1.0	-44.88	361.58	5.25	-39.63
COC1CC2(C1)CC(C(=O)N1CCCC(CC3=NN=N[N-]3)C1)C2	REAL300019889545	1	47	-1.0	-44.91	361.64	5.26	-39.65
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889546	0	52	-1.0	-55.56	405.49	7.69	-47.87
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889546	1	52	-1.0	-55.57	405.56	7.69	-47.88
CC1(C)CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CO1	REAL300019889547	0	46	-1.0	-40.66	339.01	4.37	-36.29
CC1(C)CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CO1	REAL300019889547	1	46	-1.0	-40.65	339.07	4.38	-36.27
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889548	0	43	-1.0	-44.72	369.62	8.30	-36.42
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889548	1	43	-1.0	-44.72	369.68	8.31	-36.41
O=C(CC1CCCNC(=O)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889549	0	46	-1.0	-56.72	345.74	3.08	-53.64
O=C(CC1CCCNC(=O)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889549	1	46	-1.0	-56.74	345.81	3.08	-53.66
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1C(F)(F)F	REAL300019889550	0	39	-1.0	-45.01	311.24	5.28	-39.73
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1C(F)(F)F	REAL300019889550	1	39	-1.0	-45.04	311.30	5.30	-39.74
O=C(C1CCCCC12CCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889551	0	49	-1.0	-43.49	344.16	7.23	-36.26
O=C(C1CCCCC12CCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889551	1	49	-1.0	-43.47	344.22	7.25	-36.22
CC12CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)(CO1)CCC2	REAL300019889552	0	47	-1.0	-45.38	337.11	4.40	-40.98
CC12CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)(CO1)CCC2	REAL300019889552	1	47	-1.0	-45.39	337.18	4.42	-40.97
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCCC1C2(F)F	REAL300019889553	0	40	-1.0	-46.37	315.48	5.57	-40.80
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCCC1C2(F)F	REAL300019889553	1	40	-1.0	-46.37	315.54	5.57	-40.80
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889554	0	52	-1.0	-44.70	388.96	8.90	-35.80
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889554	1	52	-1.0	-44.68	389.02	8.90	-35.78
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889555	0	39	-1.0	-52.58	333.78	6.05	-46.53
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889555	1	39	-1.0	-52.59	333.72	6.05	-46.54
CN1C=NC2=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=CC=C21	REAL300019889556	0	42	-1.0	-69.45	339.01	6.55	-62.90
CN1C=NC2=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=CC=C21	REAL300019889556	1	42	-1.0	-69.36	338.95	6.55	-62.81
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCCCC1C2(F)F	REAL300019889557	0	43	-1.0	-45.79	326.39	5.93	-39.86
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCCCC1C2(F)F	REAL300019889557	1	43	-1.0	-45.84	326.46	5.93	-39.91
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889558	0	46	-1.0	-50.92	377.62	6.47	-44.45
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889558	1	46	-1.0	-50.91	377.56	6.46	-44.45
O=C(C1=C(C2CC2)C=CO1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889559	0	40	-1.0	-54.58	318.33	5.59	-48.99
O=C(C1=C(C2CC2)C=CO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889559	1	40	-1.0	-54.60	318.39	5.59	-49.01
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889560	0	42	-1.0	-56.58	344.45	3.89	-52.69
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889560	1	42	-1.0	-56.60	344.51	3.89	-52.71
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889561	0	46	-1.0	-60.88	375.64	1.57	-59.31
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889561	1	46	-1.0	-60.87	375.57	1.57	-59.30
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889562	0	36	-1.0	-44.63	329.19	1.30	-43.33
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889562	1	36	-1.0	-44.63	329.12	1.30	-43.33
O=C(C1=NC2=CC=CNC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889563	0	39	-1.0	-71.62	316.23	4.16	-67.46
O=C(C1=NC2=CC=CNC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889563	1	39	-1.0	-71.62	316.29	4.17	-67.45
COC1=C(Cl)C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C2=NC=CC=C21	REAL300019889564	0	45	-1.0	-59.24	379.65	5.80	-53.44
COC1=C(Cl)C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C2=NC=CC=C21	REAL300019889564	1	45	-1.0	-59.23	379.57	5.79	-53.44
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889565	0	51	-1.0	-59.22	406.11	5.52	-53.70
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889565	1	51	-1.0	-59.23	406.05	5.51	-53.72
O=C(C1C2C3CC1C(=O)C32)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889566	0	40	-1.0	-43.56	310.41	5.01	-38.55
O=C(C1C2C3CC1C(=O)C32)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889566	1	40	-1.0	-43.54	310.47	5.01	-38.53
O=C(C1=CC=CN2N=NC=C12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889567	0	38	-1.0	-60.26	316.47	3.89	-56.37
O=C(C1=CC=CN2N=NC=C12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889567	1	38	-1.0	-60.23	316.40	3.88	-56.35
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=COC(CO)=C1	REAL300019896202	0	31	-1.0	-38.61	293.96	1.43	-37.18
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COC(CO)=C1	REAL300019896202	1	31	-1.0	-38.56	294.00	1.43	-37.13
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSC(N2CCCCC2)=N1	REAL300019896203	0	41	-1.0	-41.27	363.47	5.48	-35.79
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSC(N2CCCCC2)=N1	REAL300019896203	1	41	-1.0	-41.28	363.43	5.47	-35.81
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300019896204	0	37	-1.0	-42.90	347.88	4.17	-38.73
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300019896204	1	37	-1.0	-42.85	347.93	4.17	-38.68
C[C@H]1CC[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019896205	0	39	-1.0	-34.57	324.65	6.83	-27.74
C[C@H]1CC[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019896205	1	39	-1.0	-34.62	324.70	6.84	-27.78
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CN=CC=C2C=C1	REAL300019896206	0	35	-1.0	-37.11	318.22	6.46	-30.65
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CN=CC=C2C=C1	REAL300019896206	1	35	-1.0	-37.09	318.18	6.46	-30.63
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300019896207	0	40	0.0	-54.98	319.09	5.59	-49.39
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300019896207	1	40	0.0	-53.49	319.48	5.60	-47.89
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300019896207	1	40	0.0	-54.96	319.04	5.59	-49.37
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300019896207	1	40	0.0	-53.48	319.44	5.58	-47.90
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NC2=C1NC(=O)N2	REAL300019896208	0	33	-1.0	-35.22	306.04	2.18	-33.04
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NC2=C1NC(=O)N2	REAL300019896208	1	33	-1.0	-35.15	306.08	2.18	-32.97
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2N=CNC2=CN=C1	REAL300019896209	0	32	-1.0	-47.69	297.46	3.97	-43.72
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2N=CNC2=CN=C1	REAL300019896209	1	32	-1.0	-47.76	298.46	3.99	-43.77
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL300019896210	0	38	-1.0	-39.04	346.48	6.33	-32.71
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL300019896210	1	38	-1.0	-39.04	346.52	6.35	-32.69
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(N2C=NC=N2)=N1	REAL300019896211	0	35	-1.0	-41.75	330.97	7.90	-33.85
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(N2C=NC=N2)=N1	REAL300019896211	1	35	-1.0	-41.79	330.93	7.90	-33.89
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2N=CSC2=CC=C1	REAL300019896212	0	32	-1.0	-41.98	307.31	5.60	-36.38
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2N=CSC2=CC=C1	REAL300019896212	1	32	-1.0	-41.97	307.27	5.59	-36.38
CS(=O)(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CO1	REAL300019896213	0	33	-1.0	-44.14	323.90	1.54	-42.60
CS(=O)(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CO1	REAL300019896213	1	33	-1.0	-44.13	323.95	1.54	-42.59
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=COC2=CC=C(Cl)C=C12	REAL300019896214	0	33	-1.0	-36.30	322.65	6.83	-29.47
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COC2=CC=C(Cl)C=C12	REAL300019896214	1	33	-1.0	-36.23	323.66	6.85	-29.38
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)C=N1	REAL300019896215	0	37	-1.0	-44.56	338.10	8.25	-36.31
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)C=N1	REAL300019896215	1	37	-1.0	-44.65	338.06	8.25	-36.40
O=C(CNC1=CC=CC=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896216	0	34	-1.0	-36.37	309.53	4.05	-32.32
O=C(CNC1=CC=CC=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896216	1	34	-1.0	-36.32	309.57	4.05	-32.27
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NC(NC2CCC2)=C1	REAL300019896217	0	41	-1.0	-35.93	355.13	6.06	-29.87
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NC(NC2CCC2)=C1	REAL300019896217	1	41	-1.0	-35.87	355.08	6.04	-29.83
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCS(=O)(=O)N1	REAL300019896218	0	32	-1.0	-42.68	301.55	-0.74	-43.42
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCS(=O)(=O)N1	REAL300019896218	1	32	-1.0	-42.70	301.59	-0.74	-43.44
CC(C)(O)C1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019896219	0	46	-1.0	-34.82	356.70	4.50	-30.32
CC(C)(O)C1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019896219	1	46	-1.0	-34.82	356.75	4.50	-30.32
O=C(C=CC1CCCCCC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896220	0	43	-1.0	-35.41	350.69	7.97	-27.44
O=C(C=CC1CCCCCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896220	1	43	-1.0	-35.43	350.74	7.97	-27.46
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896221	0	35	-1.0	-38.51	328.67	7.04	-31.47
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896221	1	35	-1.0	-38.53	328.73	7.04	-31.49
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC2=CC=CC=C2C1	REAL300019896222	0	40	-1.0	-35.58	341.61	8.30	-27.28
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2=CC=CC=C2C1	REAL300019896222	1	40	-1.0	-35.57	341.64	8.31	-27.26
CC(COCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019896223	0	43	-1.0	-36.61	375.66	8.26	-28.35
CC(COCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019896223	1	43	-1.0	-36.55	375.70	8.27	-28.28
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CSC1=CC=CN=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896236	1	33	-1.0	-43.76	310.30	5.26	-38.50
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COC(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(F)(F)F	REAL300019896248	1	33	-1.0	-33.97	310.90	4.50	-29.47
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CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896251	0	44	-1.0	-38.41	378.63	4.16	-34.25
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896251	1	44	-1.0	-38.39	378.68	4.17	-34.22
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CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896257	0	48	-1.0	-38.68	394.88	8.22	-30.46
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896257	1	48	-1.0	-38.65	394.92	8.23	-30.42
CC(C)(C)N1N=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019896258	0	37	-1.0	-41.95	335.48	3.76	-38.19
CC(C)(C)N1N=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019896258	1	37	-1.0	-41.99	335.44	3.76	-38.23
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COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896261	0	44	-1.0	-37.56	379.66	8.08	-29.48
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896261	1	44	-1.0	-37.55	379.70	8.08	-29.47
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COC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1C#N	REAL300019896263	0	35	-1.0	-35.52	326.85	5.69	-29.83
COC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1C#N	REAL300019896263	1	35	-1.0	-35.54	326.89	5.69	-29.85
CC1=CC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)N=CN2C=C1	REAL300019896264	0	36	-1.0	-50.49	326.94	7.91	-42.58
CC1=CC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)N=CN2C=C1	REAL300019896264	1	36	-1.0	-50.50	326.90	7.90	-42.60
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O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=NC(Cl)=CC=C2S1	REAL300019896265	1	32	-1.0	-36.86	328.09	5.91	-30.95
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL300019896266	0	35	-1.0	-34.60	320.52	6.48	-28.12
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C2=CC=NC=C12	REAL300019896266	1	35	-1.0	-34.60	320.48	6.48	-28.12
O=C(CC(N1C=CC=N1)C(F)(F)F)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896267	0	36	-1.0	-37.12	333.47	5.72	-31.40
O=C(CC(N1C=CC=N1)C(F)(F)F)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896267	1	36	-1.0	-37.14	333.42	5.72	-31.42
N#CC1(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CCCCC1	REAL300019896268	0	40	-1.0	-42.10	335.57	6.66	-35.44
N#CC1(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CCCCC1	REAL300019896268	1	40	-1.0	-42.08	335.61	6.66	-35.42
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CC(=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(C)(C)C	REAL300019896270	0	39	-1.0	-36.10	326.42	6.65	-29.45
CC(=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(C)(C)C	REAL300019896270	1	39	-1.0	-36.14	326.46	6.65	-29.49
COC1=NOC(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896271	0	36	-1.0	-36.79	331.18	3.03	-33.76
COC1=NOC(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896271	1	36	-1.0	-36.73	331.23	3.03	-33.70
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2C=CNC2=NC=N1	REAL300019896272	0	32	-1.0	-43.94	299.82	5.12	-38.82
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2C=CNC2=NC=N1	REAL300019896272	1	32	-1.0	-43.90	299.87	5.12	-38.78
CN1C=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=N1	REAL300019896273	0	33	-1.0	-46.95	312.46	3.71	-43.24
CN1C=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=N1	REAL300019896273	1	33	-1.0	-46.90	312.51	3.73	-43.17
CN1C=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300019896274	0	41	-1.0	-43.14	357.22	8.85	-34.29
CN1C=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300019896274	1	41	-1.0	-43.08	357.27	8.85	-34.23
CCCCCC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=NN1	REAL300019896275	0	42	-1.0	-41.26	368.95	6.07	-35.19
CCCCCC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=NN1	REAL300019896275	1	42	-1.0	-41.24	368.99	6.08	-35.16
CNC1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CS1	REAL300019896276	0	31	-1.0	-40.93	303.19	3.06	-37.87
CNC1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CS1	REAL300019896276	1	31	-1.0	-40.97	303.14	3.05	-37.92
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019896277	0	36	-1.0	-37.86	343.32	7.04	-30.82
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019896277	1	36	-1.0	-37.90	343.28	7.04	-30.86
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019896278	0	34	-1.0	-37.42	325.58	5.55	-31.87
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019896278	1	34	-1.0	-37.33	325.63	5.55	-31.78
CC1(C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC(C)(C)C1	REAL300019896279	0	48	-1.0	-35.17	375.23	8.12	-27.05
CC1(C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC(C)(C)C1	REAL300019896279	1	48	-1.0	-35.10	375.28	8.12	-26.98
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896280	0	37	-1.0	-37.88	334.43	6.25	-31.63
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896280	1	37	-1.0	-37.87	334.38	6.24	-31.63
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1COCC2	REAL300019896281	0	38	-1.0	-38.29	326.32	6.12	-32.17
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1COCC2	REAL300019896281	1	38	-1.0	-38.27	326.36	6.12	-32.15
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC2(CC2(F)F)C1	REAL300019896282	0	34	-1.0	-34.64	314.06	6.48	-28.16
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC2(CC2(F)F)C1	REAL300019896282	1	34	-1.0	-34.62	314.11	6.48	-28.14
C[C@@H](C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019896283	0	46	-1.0	-39.43	381.66	6.01	-33.42
C[C@@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019896283	1	46	-1.0	-39.38	381.70	6.02	-33.36
COC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C(C)O1	REAL300019896284	0	36	-1.0	-39.95	335.22	5.53	-34.42
COC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C(C)O1	REAL300019896284	1	36	-1.0	-39.92	335.27	5.53	-34.39
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(CO)C1=CC=CC=C1	REAL300019896285	0	37	-1.0	-39.38	326.78	4.30	-35.08
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(CO)C1=CC=CC=C1	REAL300019896285	1	37	-1.0	-39.33	326.81	4.30	-35.03
CC(C)(O)C(O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896286	0	34	-1.0	-35.62	294.24	0.38	-35.24
CC(C)(O)C(O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896286	1	34	-1.0	-35.60	294.28	0.38	-35.22
CCC(O)C(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896287	0	36	-1.0	-36.75	310.69	3.48	-33.27
CCC(O)C(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896287	1	36	-1.0	-36.72	310.73	3.48	-33.24
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2N=C(CO)NC2=CC=C1	REAL300019896288	0	37	-1.0	-45.79	334.87	2.36	-43.43
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2N=C(CO)NC2=CC=C1	REAL300019896288	1	37	-1.0	-45.79	334.92	2.37	-43.42
CCC1=CNC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019896289	0	36	-1.0	-40.04	323.78	4.71	-35.33
CCC1=CNC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019896289	1	36	-1.0	-40.03	323.83	4.71	-35.32
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896290	0	38	-1.0	-38.89	339.79	7.00	-31.89
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896290	1	38	-1.0	-38.90	339.74	6.99	-31.91
CC(=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)CN1CCOCC1	REAL300019896291	0	43	-1.0	-36.94	359.43	3.40	-33.54
CC(=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CN1CCOCC1	REAL300019896291	1	43	-1.0	-36.91	359.48	3.40	-33.51
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NN=C(C2=CC=CO2)O1	REAL300019896292	0	32	-1.0	-41.58	313.80	0.08	-41.50
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NN=C(C2=CC=CO2)O1	REAL300019896292	1	32	-1.0	-41.59	313.84	0.08	-41.51
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019896293	0	33	-1.0	-37.58	316.15	5.60	-31.98
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019896293	1	33	-1.0	-37.44	317.17	5.63	-31.81
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019896294	0	34	-1.0	-33.45	333.60	7.45	-26.00
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019896294	1	34	-1.0	-33.51	333.64	7.45	-26.06
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC2CC2C1	REAL300019896295	0	34	-1.0	-34.84	295.16	6.24	-28.60
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC2CC2C1	REAL300019896295	1	34	-1.0	-34.80	295.21	6.24	-28.56
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NN2C=CC=NC2=N1	REAL300019896296	0	31	-1.0	-53.66	299.18	6.15	-47.51
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NN2C=CC=NC2=N1	REAL300019896296	1	31	-1.0	-53.68	299.14	6.14	-47.54
CC(=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CO1	REAL300019896297	0	34	-1.0	-37.54	311.30	6.03	-31.51
CC(=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CO1	REAL300019896297	1	34	-1.0	-37.53	311.34	6.03	-31.50
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896298	0	37	-1.0	-41.90	339.45	6.14	-35.76
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896298	1	37	-1.0	-41.88	339.50	6.14	-35.74
CC1=NNC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C12	REAL300019896299	0	36	-1.0	-37.11	326.68	5.29	-31.82
CC1=NNC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C12	REAL300019896299	1	36	-1.0	-37.11	326.73	5.29	-31.82
NC(=O)N=NC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896300	0	36	-1.0	-39.63	339.34	1.16	-38.47
NC(=O)N=NC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896300	1	36	-1.0	-39.59	338.38	1.14	-38.45
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC(=S)N1C1CC1	REAL300019896301	0	35	-1.0	-35.83	322.54	6.18	-29.65
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNC(=S)N1C1CC1	REAL300019896301	1	35	-1.0	-35.85	322.61	6.18	-29.67
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896302	0	40	-1.0	-42.33	364.18	5.44	-36.89
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896302	1	40	-1.0	-42.29	364.21	5.46	-36.83
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL300019896303	0	35	-1.0	-45.34	333.46	2.66	-42.68
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=COC(C2=CC=CN=C2)=N1	REAL300019896303	1	35	-1.0	-45.35	333.42	2.65	-42.70
CC1=CC=NC=C1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896304	0	35	-1.0	-36.26	315.15	5.43	-30.83
CC1=CC=NC=C1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896304	1	35	-1.0	-36.20	315.19	5.43	-30.77
COCCCN1N=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=CC1=O	REAL300019896305	0	42	-1.0	-39.64	377.69	3.83	-35.81
COCCCN1N=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=CC1=O	REAL300019896305	1	42	-1.0	-39.61	377.74	3.84	-35.77
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2C=CSC2=NC=N1	REAL300019896306	0	31	-1.0	-39.30	303.98	5.31	-33.99
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2C=CSC2=NC=N1	REAL300019896306	1	31	-1.0	-39.39	303.94	5.31	-34.08
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NN1C(F)F	REAL300019896307	0	30	-1.0	-34.52	288.47	3.87	-30.65
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NN1C(F)F	REAL300019896307	1	30	-1.0	-34.54	288.40	3.88	-30.66
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C21	REAL300019896308	0	44	-1.0	-36.64	381.72	7.49	-29.15
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C21	REAL300019896308	1	44	-1.0	-36.65	381.76	7.49	-29.16
CC1=NN(C(C)CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896309	0	39	-1.0	-39.11	340.73	5.66	-33.45
CC1=NN(C(C)CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896309	1	39	-1.0	-39.08	340.78	5.66	-33.42
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC2CC21	REAL300019896310	0	37	-1.0	-34.99	309.93	6.78	-28.21
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC2CC21	REAL300019896310	1	37	-1.0	-34.98	309.97	6.79	-28.19
O=C(CCCC1=CC=CN=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896311	0	38	-1.0	-37.49	339.62	6.45	-31.04
O=C(CCCC1=CC=CN=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896311	1	38	-1.0	-37.50	339.58	6.45	-31.05
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(CF)C=C1	REAL300019896312	0	33	-1.0	-37.33	306.21	6.81	-30.52
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(CF)C=C1	REAL300019896312	1	33	-1.0	-37.92	305.23	6.79	-31.13
COC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300019896313	0	37	-1.0	-34.54	344.12	6.36	-28.18
COC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300019896313	1	37	-1.0	-34.50	345.12	6.37	-28.13
COC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCOC1	REAL300019896314	0	38	-1.0	-35.23	328.92	3.79	-31.44
COC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCOC1	REAL300019896314	1	38	-1.0	-35.16	328.96	3.80	-31.36
CC(C)(C)N1N=NC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019896315	0	40	-1.0	-41.09	355.20	4.22	-36.87
CC(C)(C)N1N=NC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019896315	1	40	-1.0	-41.13	355.24	4.22	-36.91
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2COCCC2=C1	REAL300019896316	0	38	-1.0	-37.73	330.87	6.05	-31.68
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2COCCC2=C1	REAL300019896316	1	38	-1.0	-37.73	330.91	6.05	-31.68
O=C(CCC1CC1(F)F)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896317	0	33	-1.0	-36.03	307.00	6.14	-29.89
O=C(CCC1CC1(F)F)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896317	1	33	-1.0	-36.10	307.04	6.14	-29.96
COCCCOCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896318	0	40	-1.0	-36.40	353.56	3.59	-32.81
COCCCOCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896318	1	40	-1.0	-36.39	353.60	3.60	-32.79
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019896319	0	33	-1.0	-36.59	333.02	7.89	-28.70
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019896319	1	33	-1.0	-36.42	334.03	7.92	-28.50
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896320	0	41	-1.0	-36.56	359.25	7.29	-29.27
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896320	1	41	-1.0	-36.56	359.29	7.29	-29.27
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300019896321	0	39	-1.0	-38.27	356.45	7.60	-30.67
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300019896321	1	39	-1.0	-38.29	356.49	7.61	-30.68
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896322	0	49	-1.0	-35.62	403.71	10.45	-25.17
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896322	1	49	-1.0	-35.63	403.75	10.46	-25.17
COCC1=CN=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896323	0	36	-1.0	-38.60	327.37	3.90	-34.70
COCC1=CN=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896323	1	36	-1.0	-38.65	327.33	3.88	-34.77
CC1=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)OC=C1	REAL300019896324	0	33	-1.0	-36.94	304.15	5.44	-31.50
CC1=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)OC=C1	REAL300019896324	1	33	-1.0	-36.92	304.19	5.45	-31.47
CN(C)C(=O)C1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019896325	0	46	-1.0	-44.05	369.97	5.97	-38.08
CN(C)C(=O)C1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019896325	1	46	-1.0	-44.06	370.02	5.97	-38.09
CC1=C(Br)C=NC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896326	0	32	-1.0	-34.38	307.42	5.40	-28.98
CC1=C(Br)C=NC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896326	1	32	-1.0	-34.39	307.46	5.41	-28.98
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C21	REAL300019896327	0	43	-1.0	-37.34	371.80	6.24	-31.10
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C21	REAL300019896327	1	43	-1.0	-37.38	371.84	6.24	-31.14
COC1=CC=CC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1Cl	REAL300019896328	0	37	-1.0	-40.90	344.88	6.42	-34.48
COC1=CC=CC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1Cl	REAL300019896328	1	37	-1.0	-40.91	344.93	6.42	-34.49
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2CCCN12	REAL300019896329	0	34	-1.0	-37.51	303.87	5.53	-31.98
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2CCCN12	REAL300019896329	1	34	-1.0	-37.53	303.89	5.55	-31.98
CC1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(N)=N1	REAL300019896330	0	33	-1.0	-35.64	299.04	3.08	-32.56
CC1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(N)=N1	REAL300019896330	1	33	-1.0	-35.61	299.08	3.10	-32.51
CCC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019896331	0	49	-1.0	-35.46	401.67	7.13	-28.33
CCC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019896331	1	49	-1.0	-35.39	401.72	7.15	-28.24
O=C(CCC1CC1(Cl)Cl)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896332	0	33	-1.0	-35.04	326.39	7.00	-28.04
O=C(CCC1CC1(Cl)Cl)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896332	1	33	-1.0	-35.06	326.43	7.00	-28.06
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896333	0	43	-1.0	-34.98	370.79	4.86	-30.12
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896333	1	43	-1.0	-35.02	370.84	4.87	-30.15
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019896334	0	36	-1.0	-52.91	334.15	5.96	-46.95
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019896334	1	36	-1.0	-52.93	334.11	5.95	-46.98
CC(C)N(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019896335	0	49	-1.0	-37.68	400.32	7.03	-30.65
CC(C)N(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019896335	1	49	-1.0	-37.67	400.36	7.04	-30.63
CC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300019896336	0	45	-1.0	-38.13	387.98	8.61	-29.52
CC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300019896336	1	45	-1.0	-38.18	386.80	8.59	-29.59
C[NH+](C)CC1(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019896337	0	39	0.0	-49.67	322.94	6.11	-43.56
C[NH+](C)CC1(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019896337	1	39	0.0	-49.68	322.97	6.11	-43.57
NC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300019896338	0	42	-1.0	-40.76	372.40	6.63	-34.13
NC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300019896338	1	42	-1.0	-40.77	372.36	6.63	-34.14
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2CCCCN2C=C1	REAL300019896339	0	38	-1.0	-42.17	327.19	7.22	-34.95
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2CCCCN2C=C1	REAL300019896339	1	38	-1.0	-42.17	327.23	7.22	-34.95
CCNC1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019896340	0	34	-1.0	-37.40	324.39	4.01	-33.39
CCNC1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019896340	1	34	-1.0	-37.48	324.35	4.00	-33.48
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1	REAL300019896341	0	37	-1.0	-36.96	326.41	8.07	-28.89
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1	REAL300019896341	1	37	-1.0	-36.90	326.45	8.07	-28.83
COC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC1	REAL300019896342	0	40	-1.0	-35.11	335.25	6.63	-28.48
COC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC1	REAL300019896342	1	40	-1.0	-35.14	335.29	6.64	-28.50
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896343	0	40	-1.0	-35.76	347.57	8.51	-27.25
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896343	1	40	-1.0	-35.71	347.62	8.52	-27.19
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC2=CC=CC=C2CO1	REAL300019896344	0	38	-1.0	-37.43	334.06	7.05	-30.38
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC2=CC=CC=C2CO1	REAL300019896344	1	38	-1.0	-37.45	334.10	7.05	-30.40
COC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCCC1	REAL300019896345	0	43	-1.0	-34.80	351.10	7.34	-27.46
COC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCCC1	REAL300019896345	1	43	-1.0	-34.79	351.19	7.34	-27.45
CC(CC1=CC=CO1)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896346	0	36	-1.0	-35.99	322.22	6.17	-29.82
CC(CC1=CC=CO1)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896346	1	36	-1.0	-35.96	322.26	6.16	-29.80
CC1CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C2O1	REAL300019896347	0	38	-1.0	-37.66	334.11	6.56	-31.10
CC1CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C2O1	REAL300019896347	1	38	-1.0	-37.61	335.12	6.57	-31.04
CC1(C)CCC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896348	0	36	-1.0	-34.92	303.21	6.04	-28.88
CC1(C)CCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896348	1	36	-1.0	-34.87	303.26	6.04	-28.83
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC2(C1)CCCCC2	REAL300019896349	0	43	-1.0	-34.75	349.25	7.89	-26.86
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC2(C1)CCCCC2	REAL300019896349	1	43	-1.0	-34.67	349.30	7.89	-26.78
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019896350	0	36	-1.0	-38.38	335.10	8.76	-29.62
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019896350	1	36	-1.0	-39.15	336.77	8.75	-30.40
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300019896351	0	44	-1.0	-42.21	385.59	7.57	-34.64
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C(C)N1C1=CN(C)N=C1	REAL300019896351	1	44	-1.0	-42.23	385.55	7.57	-34.66
COCC1=CSC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896352	0	34	-1.0	-37.25	325.65	4.72	-32.53
COCC1=CSC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896352	1	34	-1.0	-37.89	324.68	4.69	-33.20
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896353	0	37	-1.0	-37.25	312.35	5.84	-31.41
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896353	1	37	-1.0	-37.23	312.39	5.83	-31.40
CC(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCO1	REAL300019896354	0	40	-1.0	-36.67	331.83	5.29	-31.38
CC(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCO1	REAL300019896354	1	40	-1.0	-36.71	331.88	5.29	-31.42
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019896355	0	43	0.0	-51.84	364.95	6.58	-45.26
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(NC2=NCCC2)C=C1	REAL300019896355	1	42	-1.0	-42.84	363.92	6.76	-36.08
NC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC(Br)=N1	REAL300019896356	0	31	-1.0	-36.21	310.11	3.48	-32.73
NC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC(Br)=N1	REAL300019896356	1	31	-1.0	-36.19	310.07	3.48	-32.71
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NOC2=C1COCC2	REAL300019896357	0	34	-1.0	-41.54	310.00	3.60	-37.94
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NOC2=C1COCC2	REAL300019896357	1	34	-1.0	-41.80	309.03	3.57	-38.23
CC1=CN2C=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC2=N1	REAL300019896358	0	36	-1.0	-38.55	325.76	7.13	-31.42
CC1=CN2C=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC2=N1	REAL300019896358	1	36	-1.0	-38.51	326.76	7.14	-31.37
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(C2CC2)N=N1	REAL300019896359	0	33	-1.0	-44.73	309.16	3.84	-40.89
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(C2CC2)N=N1	REAL300019896359	1	33	-1.0	-44.82	309.12	3.84	-40.98
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896360	0	38	-1.0	-38.85	342.75	4.40	-34.45
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896360	1	38	-1.0	-38.83	342.79	4.42	-34.41
CNC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019896361	0	35	-1.0	-39.43	317.49	4.87	-34.56
CNC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300019896361	1	35	-1.0	-39.48	317.53	4.89	-34.59
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC2C(C1)C2(F)F	REAL300019896362	0	37	-1.0	-38.28	320.55	6.93	-31.35
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2C(C1)C2(F)F	REAL300019896362	1	37	-1.0	-38.29	320.59	6.93	-31.36
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896363	0	41	-1.0	-40.22	358.66	2.61	-37.61
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896363	1	41	-1.0	-40.22	358.71	2.61	-37.61
O=C(COCC(F)F)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896364	0	30	-1.0	-40.84	290.45	4.23	-36.61
O=C(COCC(F)F)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896364	1	30	-1.0	-40.78	290.49	4.23	-36.55
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019896365	0	39	-1.0	-45.60	355.89	6.42	-39.18
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300019896365	1	39	-1.0	-45.63	355.84	6.42	-39.21
COC1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CO1	REAL300019896366	0	30	-1.0	-43.18	290.22	-0.39	-43.57
COC1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CO1	REAL300019896366	1	30	-1.0	-43.21	290.18	-0.40	-43.61
CC1=CC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=NC=C1Cl	REAL300019896367	0	35	-1.0	-36.59	332.08	6.15	-30.44
CC1=CC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=NC=C1Cl	REAL300019896367	1	35	-1.0	-36.59	332.13	6.16	-30.43
NC1=C(Cl)C=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1Cl	REAL300019896368	0	32	-1.0	-34.89	321.87	5.04	-29.85
NC1=C(Cl)C=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1Cl	REAL300019896368	1	32	-1.0	-34.93	321.91	5.04	-29.89
CCN1C(=O)NC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C21	REAL300019896369	0	40	-1.0	-37.59	356.96	5.79	-31.80
CCN1C(=O)NC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C21	REAL300019896369	1	40	-1.0	-37.53	357.01	5.79	-31.74
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O=C(CCN1CSCCSC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896414	0	40	-1.0	-35.90	356.80	4.75	-31.15
O=C(CCN1CSCCSC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896414	1	40	-1.0	-35.82	356.85	4.77	-31.05
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC2=C(Cl)C=CC=C21	REAL300019896415	0	34	-1.0	-35.01	323.62	7.71	-27.30
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC2=C(Cl)C=CC=C21	REAL300019896415	1	34	-1.0	-34.95	323.67	7.71	-27.24
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2=CSN=N2)C=C1	REAL300019896416	0	35	-1.0	-38.38	335.13	6.04	-32.34
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2=CSN=N2)C=C1	REAL300019896416	1	35	-1.0	-38.33	334.16	6.02	-32.31
CC(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CO1	REAL300019896417	0	36	-1.0	-36.00	320.67	6.13	-29.87
CC(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CO1	REAL300019896417	1	36	-1.0	-36.01	320.72	6.13	-29.88
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC2=CC=CC=C2CC1	REAL300019896418	0	43	-1.0	-35.20	355.37	8.85	-26.35
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2=CC=CC=C2CC1	REAL300019896418	1	43	-1.0	-35.21	355.42	8.85	-26.36
O=C(CC(C1CCC1)C1CCC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896419	0	46	-1.0	-34.90	366.15	8.79	-26.11
O=C(CC(C1CCC1)C1CCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896419	1	46	-1.0	-34.92	366.19	8.79	-26.13
CC1=CC=C(COC(C)C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896420	0	43	-1.0	-37.68	377.53	8.36	-29.32
CC1=CC=C(COC(C)C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896420	1	43	-1.0	-37.60	377.58	8.37	-29.23
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1C2CCCCCCC21	REAL300019896421	0	43	-1.0	-35.83	337.58	7.65	-28.18
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1C2CCCCCCC21	REAL300019896421	1	43	-1.0	-35.79	337.63	7.66	-28.13
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=NN=NN2C=C1	REAL300019896422	0	31	-1.0	-34.14	294.99	4.11	-30.03
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=NN=NN2C=C1	REAL300019896422	1	31	-1.0	-34.19	293.99	4.08	-30.11
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC(C2CC2)CC1	REAL300019896423	0	43	-1.0	-34.23	353.95	8.27	-25.96
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC(C2CC2)CC1	REAL300019896423	1	43	-1.0	-34.22	353.99	8.27	-25.95
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2SC=CC2=NC=N1	REAL300019896424	0	31	-1.0	-40.30	305.19	5.35	-34.95
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2SC=CC2=NC=N1	REAL300019896424	1	31	-1.0	-40.33	305.15	5.34	-34.99
CCCCCCCCC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896425	0	50	-1.0	-34.42	409.76	9.64	-24.78
CCCCCCCCC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896425	1	50	-1.0	-34.43	409.80	9.65	-24.78
CC(C)(C)OC(=O)NC1(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019896426	0	47	-1.0	-42.59	398.49	5.20	-37.39
CC(C)(C)OC(=O)NC1(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019896426	1	47	-1.0	-42.74	398.64	5.21	-37.53
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2CCCC[N@@H+]21	REAL300019896427	0	43	0.0	-41.87	346.35	7.35	-34.52
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2CCCC[N@H+]21	REAL300019896427	1	43	0.0	-40.74	346.28	7.34	-33.40
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300019896428	0	38	-1.0	-39.89	352.09	7.16	-32.73
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300019896428	1	38	-1.0	-39.32	351.11	7.14	-32.18
CCCC(OCC)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896429	0	39	-1.0	-36.23	336.47	6.09	-30.14
CCCC(OCC)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896429	1	39	-1.0	-36.15	336.52	6.09	-30.06
COC1CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896430	0	34	-1.0	-37.42	303.00	3.93	-33.49
COC1CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896430	1	34	-1.0	-37.38	303.04	3.94	-33.44
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1C2CC3=CC=CC=C3C21	REAL300019896431	0	38	-1.0	-38.22	328.42	8.40	-29.82
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1C2CC3=CC=CC=C3C21	REAL300019896431	1	38	-1.0	-38.21	328.46	8.40	-29.81
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300019896432	0	37	-1.0	-34.76	343.17	6.53	-28.23
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300019896432	1	37	-1.0	-34.69	344.18	6.53	-28.16
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1COC2=CC(F)=CC=C2C1	REAL300019896433	0	38	-1.0	-35.09	338.41	6.57	-28.52
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1COC2=CC(F)=CC=C2C1	REAL300019896433	1	38	-1.0	-35.07	338.46	6.58	-28.49
CCOC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC1	REAL300019896434	0	37	-1.0	-35.00	325.11	6.32	-28.68
CCOC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC1	REAL300019896434	1	37	-1.0	-35.54	324.12	6.29	-29.25
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL300019896435	0	36	-1.0	-43.72	342.17	2.34	-41.38
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL300019896435	1	36	-1.0	-47.20	343.17	2.37	-44.83
CC1=CC=CC=C1COC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896436	0	43	-1.0	-37.56	371.92	8.31	-29.25
CC1=CC=CC=C1COC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896436	1	43	-1.0	-37.55	371.96	8.32	-29.23
CSC1=CC(C)=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019896437	0	34	-1.0	-37.66	323.56	5.87	-31.79
CSC1=CC(C)=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896437	1	34	-1.0	-37.61	323.60	5.87	-31.74
O=C(C=CC1=CC=CS1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896438	0	31	-1.0	-37.39	301.98	6.26	-31.13
O=C(C=CC1=CC=CS1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896438	1	31	-1.0	-37.40	302.02	6.26	-31.14
CC(C)C1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896439	0	39	-1.0	-36.88	338.40	7.90	-28.98
CC(C)C1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896439	1	39	-1.0	-36.79	338.44	7.90	-28.89
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSC(C(F)(F)F)=C1	REAL300019896440	0	30	-1.0	-33.31	309.12	6.09	-27.22
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSC(C(F)(F)F)=C1	REAL300019896440	1	30	-1.0	-33.31	309.16	6.09	-27.22
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019896441	0	43	-1.0	-35.46	362.87	9.03	-26.43
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300019896441	1	43	-1.0	-35.45	362.91	9.03	-26.42
COCCCN1C=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019896442	0	40	-1.0	-41.76	360.03	4.44	-37.32
COCCCN1C=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019896442	1	40	-1.0	-41.73	359.99	4.44	-37.29
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(C2CC2)N=C1	REAL300019896443	0	34	-1.0	-39.61	312.94	5.26	-34.35
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(C2CC2)N=C1	REAL300019896443	1	34	-1.0	-39.62	312.91	5.26	-34.36
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=NN1C1CCOCC1	REAL300019896444	0	44	-1.0	-47.47	377.78	5.29	-42.18
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=NN1C1CCOCC1	REAL300019896444	1	44	-1.0	-47.45	377.82	5.28	-42.17
CN1C=C(N2CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)CC2=O)C=N1	REAL300019896445	0	41	-1.0	-38.78	362.78	4.72	-34.06
CN1C=C(N2CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)CC2=O)C=N1	REAL300019896445	1	41	-1.0	-38.71	362.75	4.72	-33.99
CC(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NC=C1	REAL300019896446	0	38	-1.0	-35.69	332.00	6.13	-29.56
CC(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NC=C1	REAL300019896446	1	38	-1.0	-35.70	332.05	6.14	-29.56
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1COC(=O)N1	REAL300019896447	0	29	-1.0	-37.45	274.26	0.24	-37.21
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1COC(=O)N1	REAL300019896447	1	29	-1.0	-37.46	274.30	0.25	-37.21
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2C=CSC2=CN=C1	REAL300019896448	0	32	-1.0	-38.52	305.16	5.50	-33.02
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2C=CSC2=CN=C1	REAL300019896448	1	32	-1.0	-38.56	305.12	5.50	-33.06
O=C(CC1=CSC=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896449	0	29	-1.0	-37.74	285.34	3.81	-33.93
O=C(CC1=CSC=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896449	1	29	-1.0	-37.70	285.39	3.81	-33.89
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019896450	0	39	-1.0	-43.51	355.87	6.40	-37.11
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300019896450	1	39	-1.0	-45.12	354.86	6.39	-38.73
CC1=CC=CC=C1COCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896451	0	40	-1.0	-37.89	352.50	7.62	-30.27
CC1=CC=CC=C1COCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896451	1	40	-1.0	-37.86	352.54	7.62	-30.24
CC1=CC=CC(COCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896452	0	40	-1.0	-37.80	357.74	7.60	-30.20
CC1=CC=CC(COCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896452	1	40	-1.0	-37.79	357.78	7.60	-30.19
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2SC=CC2=CC=N1	REAL300019896453	0	32	-1.0	-43.16	310.05	5.64	-37.52
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2SC=CC2=CC=N1	REAL300019896453	1	32	-1.0	-43.21	310.01	5.64	-37.57
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019896454	0	39	-1.0	-51.31	333.69	4.81	-46.50
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019896454	1	39	-1.0	-51.28	333.74	4.81	-46.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019896455	0	36	-2.0	-93.94	346.13	2.09	-91.85
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019896455	1	36	-2.0	-94.03	346.09	2.08	-91.95
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019896455	1	37	-1.0	-43.87	346.20	2.23	-41.64
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019896455	1	37	-1.0	-43.91	346.16	2.22	-41.69
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896456	0	33	-1.0	-40.23	317.66	4.94	-35.29
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896456	1	33	-1.0	-40.26	317.71	4.95	-35.31
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=CC(=O)NC=C21	REAL300019896457	0	36	-1.0	-37.95	324.04	5.18	-32.77
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL300019896457	1	36	-1.0	-37.99	324.13	5.18	-32.81
CC1=CN2C=CN=C2C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896458	0	36	-1.0	-49.11	323.96	7.90	-41.21
CC1=CN2C=CN=C2C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896458	1	36	-1.0	-49.13	323.92	7.90	-41.23
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL300019896459	0	41	-1.0	-40.18	359.02	4.45	-35.73
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NC(N2CCOCC2)=N1	REAL300019896459	1	41	-1.0	-40.21	358.98	4.45	-35.76
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896460	0	47	-1.0	-37.47	395.49	4.79	-32.68
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896460	1	47	-1.0	-37.46	395.53	4.79	-32.67
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC2(CC2)C1	REAL300019896461	0	40	-1.0	-34.60	334.66	7.50	-27.10
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC2(CC2)C1	REAL300019896461	1	40	-1.0	-34.57	334.71	7.51	-27.06
CCCN1N=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896462	0	36	-1.0	-35.35	320.43	5.30	-30.05
CCCN1N=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896462	1	36	-1.0	-35.34	320.37	5.31	-30.03
CC1=CC=C(COCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896463	0	40	-1.0	-37.79	357.74	7.61	-30.18
CC1=CC=C(COCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896463	1	40	-1.0	-37.77	357.78	7.61	-30.16
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(C(F)F)=CC=C1F	REAL300019896464	0	33	-1.0	-45.00	316.91	7.00	-38.00
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(C(F)F)=CC=C1F	REAL300019896464	1	33	-1.0	-44.95	316.96	7.00	-37.95
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019896465	0	44	-1.0	-44.35	375.27	6.81	-37.54
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019896465	1	44	-1.0	-44.36	375.32	6.81	-37.55
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019896466	0	37	-1.0	-37.77	344.70	7.07	-30.70
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019896466	1	37	-1.0	-37.77	344.66	7.07	-30.70
CC1=CN=CN1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896467	0	33	-1.0	-37.21	303.75	6.22	-30.99
CC1=CN=CN1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896467	1	33	-1.0	-37.24	303.80	6.21	-31.03
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896467	1	34	0.0	-49.01	308.23	6.76	-42.25
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019896468	0	32	-1.0	-40.98	323.93	6.00	-34.98
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019896468	1	32	-1.0	-41.01	323.89	5.99	-35.02
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896469	0	40	-1.0	-39.71	359.25	5.90	-33.81
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896469	1	40	-1.0	-39.63	359.29	5.90	-33.73
COC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1C	REAL300019896470	0	37	-1.0	-37.25	322.03	6.05	-31.20
COC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1C	REAL300019896470	1	37	-1.0	-37.25	322.07	6.06	-31.19
CCC1=CNC(=O)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896471	0	36	-1.0	-53.82	322.44	4.60	-49.22
CCC1=CNC(=O)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896471	1	36	-1.0	-53.80	322.50	4.60	-49.20
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(O)CC1=CC=CC=C1	REAL300019896472	0	37	-1.0	-36.14	333.29	5.25	-30.89
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(O)CC1=CC=CC=C1	REAL300019896472	1	37	-1.0	-36.16	333.33	5.26	-30.90
CN1N=CC(Cl)=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896473	0	30	-1.0	-31.43	294.64	4.39	-27.04
CN1N=CC(Cl)=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896473	1	30	-1.0	-31.42	294.71	4.38	-27.04
CC1=CC(C)=CC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896474	0	39	-1.0	-36.65	345.66	7.99	-28.66
CC1=CC(C)=CC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896474	1	39	-1.0	-36.61	345.71	8.00	-28.61
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(N2CCCC2)=C1	REAL300019896475	0	42	-1.0	-36.32	354.79	6.48	-29.84
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL300019896475	1	42	-1.0	-36.29	354.84	6.49	-29.80
CCC(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896476	0	29	-1.0	-36.16	274.54	4.58	-31.58
CCC(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896476	1	29	-1.0	-36.13	274.58	4.58	-31.55
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019896477	0	41	-1.0	-37.44	361.95	6.44	-31.00
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019896477	1	41	-1.0	-37.48	361.99	6.44	-31.04
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019896478	0	41	-1.0	-41.39	365.72	6.51	-34.88
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019896478	1	41	-1.0	-42.61	363.75	6.47	-36.14
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2CC(=O)NC2=NC=C1	REAL300019896479	0	34	-1.0	-34.80	313.90	3.65	-31.15
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2CC(=O)NC2=NC=C1	REAL300019896479	1	34	-1.0	-34.81	313.94	3.65	-31.16
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019896480	0	37	-1.0	-40.34	352.95	6.19	-34.15
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896480	1	37	-1.0	-40.30	352.99	6.18	-34.12
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896481	0	46	-1.0	-36.64	387.83	9.47	-27.17
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896481	1	46	-1.0	-36.65	387.88	9.48	-27.17
CCN1N=CC(Cl)=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896482	0	33	-1.0	-31.18	304.07	5.62	-25.56
CCN1N=CC(Cl)=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896482	1	33	-1.0	-31.17	304.00	5.61	-25.56
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019896483	0	36	-1.0	-38.71	337.26	5.39	-33.32
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896483	1	36	-1.0	-38.67	337.30	5.40	-33.27
COC(=O)C1=CN(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=C1	REAL300019896484	0	36	-1.0	-39.83	338.87	4.77	-35.06
COC(=O)C1=CN(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=C1	REAL300019896484	1	36	-1.0	-39.86	338.83	4.76	-35.10
C[C@@H](CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019896485	0	46	-1.0	-38.62	388.70	4.72	-33.90
C[C@@H](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019896485	1	46	-1.0	-38.57	388.75	4.73	-33.84
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019896486	0	35	-1.0	-38.64	334.30	2.25	-36.39
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896486	1	35	-1.0	-38.66	334.35	2.26	-36.40
COC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC1	REAL300019896487	0	37	-1.0	-34.67	320.86	5.86	-28.81
COC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019896487	1	37	-1.0	-34.67	320.90	5.86	-28.81
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL300019896488	0	35	-1.0	-44.50	337.02	-0.33	-44.83
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL300019896488	1	35	-1.0	-44.52	337.06	-0.33	-44.85
CSC1=CC=C(O)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896489	0	35	-1.0	-42.17	327.19	5.43	-36.74
CSC1=CC=C(O)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896489	1	35	-1.0	-42.15	327.23	5.43	-36.72
CCCCC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(C)C	REAL300019896490	0	44	-1.0	-34.97	355.76	7.87	-27.10
CCCCC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(C)C	REAL300019896490	1	44	-1.0	-35.00	355.81	7.88	-27.12
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(=O)NC1=C(F)C=CC=C1F	REAL300019896491	0	34	-1.0	-43.30	326.77	4.41	-38.89
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(=O)NC1=C(F)C=CC=C1F	REAL300019896491	1	34	-1.0	-43.29	326.81	4.41	-38.88
CCN1C=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896492	0	33	-1.0	-45.25	305.69	6.11	-39.14
CCN1C=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896492	1	33	-1.0	-45.27	305.66	6.11	-39.16
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019896493	0	32	-1.0	-35.04	289.22	3.77	-31.27
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019896493	1	32	-1.0	-35.03	289.26	3.78	-31.25
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@H]1C[C@H]2C[C@H]2C1	REAL300019896494	0	34	-1.0	-34.56	297.31	6.29	-28.27
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@H]1C[C@H]2C[C@H]2C1	REAL300019896494	1	34	-1.0	-34.58	297.35	6.31	-28.27
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC2(CC2)CC1	REAL300019896495	0	40	-1.0	-34.50	335.19	7.52	-26.98
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2(CC2)CC1	REAL300019896495	1	40	-1.0	-34.47	335.23	7.52	-26.95
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC2=CC(F)=CC=C21	REAL300019896496	0	37	-1.0	-35.98	326.50	7.97	-28.01
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2=CC(F)=CC=C21	REAL300019896496	1	37	-1.0	-36.00	326.55	7.99	-28.01
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C	REAL300019896497	0	43	-1.0	-36.09	369.89	9.24	-26.85
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C	REAL300019896497	1	43	-1.0	-36.10	369.93	9.25	-26.85
CCOCCN1C=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019896498	0	40	-1.0	-38.73	360.38	4.63	-34.10
CCOCCN1C=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019896498	1	40	-1.0	-38.76	360.34	4.63	-34.13
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC1CC1=CC=CC=C1	REAL300019896499	0	46	-1.0	-36.67	386.50	9.87	-26.80
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC1CC1=CC=CC=C1	REAL300019896499	1	46	-1.0	-36.68	386.54	9.88	-26.80
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019896500	0	43	-1.0	-36.06	380.23	8.33	-27.73
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019896500	1	43	-1.0	-36.02	380.17	8.33	-27.69
CN1C=C(Cl)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019896501	0	30	-1.0	-42.94	297.98	4.29	-38.65
CN1C=C(Cl)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019896501	1	30	-1.0	-42.97	298.95	4.29	-38.68
CCOC1=CC=CC(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896502	0	41	-1.0	-37.50	364.05	7.40	-30.10
CCOC1=CC=CC(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896502	1	41	-1.0	-37.46	364.10	7.40	-30.06
COC1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896503	0	38	-1.0	-37.51	341.16	6.46	-31.05
COC1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896503	1	38	-1.0	-37.52	341.20	6.47	-31.05
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896504	0	33	-1.0	-34.64	325.45	7.22	-27.42
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896504	1	33	-1.0	-34.62	325.49	7.23	-27.39
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(Cl)SC=C1	REAL300019896505	0	27	-1.0	-36.09	282.25	5.48	-30.61
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(Cl)SC=C1	REAL300019896505	1	27	-1.0	-36.12	282.30	5.49	-30.63
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896506	0	37	-1.0	-35.26	354.31	6.84	-28.42
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896506	1	37	-1.0	-35.25	354.35	6.84	-28.41
CC(=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CS1	REAL300019896507	0	34	-1.0	-36.10	320.30	7.02	-29.08
CC(=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CS1	REAL300019896507	1	34	-1.0	-36.08	320.35	7.02	-29.06
CC1=NC=CN=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896508	0	31	-1.0	-39.66	286.32	3.06	-36.60
CC1=NC=CN=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896508	1	31	-1.0	-39.59	286.36	3.06	-36.53
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896509	0	40	-1.0	-35.54	353.55	4.77	-30.77
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896509	1	40	-1.0	-35.54	353.51	4.77	-30.77
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC2(CC2)C1	REAL300019896510	0	34	-1.0	-35.74	300.51	6.30	-29.44
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC2(CC2)C1	REAL300019896510	1	34	-1.0	-35.74	300.56	6.31	-29.43
CN1C=C(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=N1	REAL300019896511	0	35	-1.0	-41.99	320.03	3.93	-38.06
CN1C=C(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=N1	REAL300019896511	1	35	-1.0	-42.00	320.07	3.93	-38.07
CCOCCOCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896512	0	43	-1.0	-38.21	375.37	4.71	-33.50
CCOCCOCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896512	1	43	-1.0	-38.14	375.41	4.72	-33.42
COC1=CC=CC(C(OC)C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896513	0	41	-1.0	-38.81	363.66	5.97	-32.84
COC1=CC=CC(C(OC)C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896513	1	41	-1.0	-38.78	363.71	5.97	-32.81
COCCOCCOCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896514	0	47	-1.0	-39.88	408.99	4.07	-35.81
COCCOCCOCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896514	1	47	-1.0	-39.86	409.03	4.09	-35.77
CSC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C(C)O1	REAL300019896515	0	34	-1.0	-38.28	323.33	5.96	-32.32
CSC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C(C)O1	REAL300019896515	1	34	-1.0	-38.27	323.37	5.96	-32.31
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896516	0	42	-1.0	-42.83	353.54	4.83	-38.00
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896516	1	42	-1.0	-42.83	353.49	4.82	-38.01
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=NO1	REAL300019896517	0	26	-1.0	-34.72	274.07	3.84	-30.88
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=NO1	REAL300019896517	1	26	-1.0	-34.75	274.03	3.83	-30.92
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@H]1COC(=O)N1	REAL300019896518	0	29	-1.0	-37.51	275.22	0.28	-37.23
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@H]1COC(=O)N1	REAL300019896518	1	29	-1.0	-37.49	275.26	0.29	-37.20
CN1C(=O)NCC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896519	0	33	-1.0	-37.70	299.17	1.44	-36.26
CN1C(=O)NCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896519	1	33	-1.0	-37.66	299.22	1.44	-36.22
CCC(C)(C)C(=O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896520	0	37	-1.0	-38.07	314.37	5.22	-32.85
CCC(C)(C)C(=O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896520	1	37	-1.0	-38.00	314.41	5.22	-32.78
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896521	0	37	-1.0	-62.41	337.94	2.07	-60.34
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896521	1	37	-1.0	-59.67	337.49	2.25	-57.42
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019896522	0	36	-2.0	-86.57	334.16	5.74	-80.83
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019896522	1	36	-2.0	-88.38	335.17	5.75	-82.63
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019896522	1	36	-2.0	-86.44	334.26	5.74	-80.70
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019896522	1	36	-2.0	-88.20	335.27	5.77	-82.43
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019896523	0	33	-2.0	-82.09	321.44	2.64	-79.45
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019896523	1	33	-2.0	-82.13	321.37	2.63	-79.50
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019896523	1	33	-2.0	-82.04	321.48	2.64	-79.40
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019896523	1	33	-2.0	-81.49	320.40	2.61	-78.88
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NNC=C1C(F)(F)F	REAL300019896524	0	30	-1.0	-42.44	297.38	3.49	-38.95
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NNC=C1C(F)(F)F	REAL300019896524	1	30	-1.0	-42.43	297.42	3.51	-38.92
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896525	0	36	-1.0	-36.73	329.94	6.34	-30.39
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896525	1	36	-1.0	-36.77	329.98	6.35	-30.42
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896526	0	36	-2.0	-82.46	335.87	1.15	-81.31
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896526	1	36	-2.0	-82.44	335.92	1.15	-81.29
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2)=N1	REAL300019896527	0	42	-1.0	-45.48	370.35	7.55	-37.93
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2)=N1	REAL300019896527	1	42	-1.0	-45.49	370.31	7.53	-37.96
CC1=NOC(C2(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)CC2)=C1	REAL300019896528	0	36	-1.0	-36.05	325.68	6.25	-29.80
CC1=NOC(C2(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)CC2)=C1	REAL300019896528	1	36	-1.0	-36.06	325.75	6.25	-29.81
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC2CCC[N@@H+]21	REAL300019896529	0	43	0.0	-43.71	335.84	6.98	-36.73
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC2CCC[N@H+]21	REAL300019896529	1	43	0.0	-44.98	334.35	6.94	-38.04
CC1CN(C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019896530	0	39	-1.0	-36.76	333.91	3.08	-33.68
CC1CN(C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896530	1	39	-1.0	-36.73	333.95	3.08	-33.65
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896530	1	40	0.0	-52.94	329.59	5.43	-47.51
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896530	1	40	0.0	-52.90	329.61	5.43	-47.47
CN1C=NC2=CN=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C21	REAL300019896531	0	35	-1.0	-40.11	311.35	5.50	-34.61
CN1C=NC2=CN=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C21	REAL300019896531	1	35	-1.0	-40.26	312.21	5.51	-34.75
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896532	0	42	0.0	-51.92	344.83	6.88	-45.04
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896532	1	42	0.0	-51.70	340.12	6.43	-45.27
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896532	1	42	0.0	-51.88	344.79	6.88	-45.00
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896532	1	42	0.0	-51.68	340.07	6.43	-45.25
O=C(C=CCN1C=NC=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896533	0	33	-1.0	-44.09	312.17	6.70	-37.39
O=C(C=CCN1C=NC=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896533	1	33	-1.0	-44.18	312.12	6.71	-37.47
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019896534	0	34	-1.0	-44.36	311.06	5.60	-38.76
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019896534	1	34	-1.0	-44.37	311.11	5.60	-38.77
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019896535	0	39	-1.0	-41.96	348.12	7.10	-34.86
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019896535	1	39	-1.0	-41.99	348.16	7.11	-34.88
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896536	0	38	-1.0	-39.80	346.76	2.02	-37.78
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896536	1	38	-1.0	-39.74	346.80	2.03	-37.71
CC(=O)NC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=N1	REAL300019896537	0	36	-1.0	-42.34	329.74	4.56	-37.78
CC(=O)NC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=N1	REAL300019896537	1	36	-1.0	-42.39	329.69	4.55	-37.84
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896538	0	50	-1.0	-36.95	404.07	8.57	-28.38
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896538	1	50	-1.0	-36.90	404.12	8.57	-28.33
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300019896539	0	39	-1.0	-42.03	356.78	9.06	-32.97
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300019896539	1	39	-1.0	-43.31	355.77	9.05	-34.26
CC1=CC=NN1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896540	0	33	-1.0	-37.08	304.82	4.56	-32.52
CC1=CC=NN1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896540	1	33	-1.0	-37.02	304.87	4.57	-32.45
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=C2C(F)=CC=CN21	REAL300019896541	0	33	-1.0	-44.45	312.00	6.57	-37.88
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=C2C(F)=CC=CN21	REAL300019896541	1	33	-1.0	-44.46	311.96	6.57	-37.89
O=C(C=CC=C(Cl)Cl)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896542	0	28	-1.0	-34.56	299.56	5.93	-28.63
O=C(C=CC=C(Cl)Cl)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896542	1	28	-1.0	-34.55	299.60	5.94	-28.61
CC1=C(CO)C=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019896543	0	34	-1.0	-42.21	314.96	2.17	-40.04
CC1=C(CO)C=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896543	1	34	-1.0	-42.20	315.01	2.17	-40.03
CN1CCCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1=O	REAL300019896544	0	40	-1.0	-35.29	319.11	5.49	-29.80
CN1CCCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1=O	REAL300019896544	1	40	-1.0	-35.30	319.14	5.49	-29.81
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300019896545	0	38	-1.0	-39.07	354.48	5.90	-33.17
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300019896545	1	38	-1.0	-39.01	354.52	5.90	-33.11
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2O)NC1=O	REAL300019896546	0	41	-1.0	-52.46	350.50	2.46	-50.00
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2O)NC1=O	REAL300019896546	1	41	-1.0	-52.44	350.60	2.47	-49.97
NC1=C2N=CN(CCC(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C2=NC=N1	REAL300019896547	0	39	-1.0	-42.52	355.39	6.01	-36.51
NC1=C2N=CN(CCC(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C2=NC=N1	REAL300019896547	1	39	-1.0	-42.60	355.34	6.00	-36.60
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300019896548	0	35	-1.0	-41.09	338.06	2.47	-38.62
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300019896548	1	35	-1.0	-41.02	338.10	2.46	-38.56
C[N@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019896549	0	44	0.0	-46.65	344.04	6.77	-39.88
C[N@@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019896549	1	44	0.0	-47.04	348.29	6.93	-40.11
CN(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)CC(C)(C)C	REAL300019896549	1	43	-1.0	-35.39	351.48	5.42	-29.97
CN(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019896549	1	43	-1.0	-35.34	351.52	5.43	-29.91
CN1C=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC1=O	REAL300019896550	0	32	-1.0	-42.43	301.13	4.56	-37.87
CN1C=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC1=O	REAL300019896550	1	32	-1.0	-42.48	301.08	4.56	-37.92
O=C(CC=CCC1=CC=CC=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896551	0	40	-1.0	-36.28	358.45	8.87	-27.41
O=C(CC=CCC1=CC=CC=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896551	1	40	-1.0	-36.24	358.48	8.88	-27.36
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC(C2=CN=CC=N2)=NO1	REAL300019896552	0	33	-1.0	-39.09	322.18	0.76	-38.33
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC(C2=CN=CC=N2)=NO1	REAL300019896552	1	33	-1.0	-39.09	322.23	0.76	-38.33
CN1CCOC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1=O	REAL300019896553	0	35	-1.0	-44.70	310.24	3.17	-41.53
CN1CCOC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1=O	REAL300019896553	1	35	-1.0	-44.69	310.28	3.16	-41.53
C#CCN(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019896554	0	45	-1.0	-42.65	395.84	7.27	-35.38
C#CCN(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019896554	1	45	-1.0	-42.60	395.88	7.28	-35.32
O=C(CC1CCCS1(=O)=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896555	0	36	-1.0	-46.16	322.87	2.50	-43.66
O=C(CC1CCCS1(=O)=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896555	1	36	-1.0	-46.11	322.92	2.50	-43.61
CC1=CC=C(C(=O)C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896556	0	39	-1.0	-39.00	355.64	7.73	-31.27
CC1=CC=C(C(=O)C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896556	1	39	-1.0	-39.01	355.69	7.74	-31.27
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2NC=NC2=C1F	REAL300019896557	0	33	-1.0	-44.72	307.40	5.68	-39.04
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2NC=NC2=C1F	REAL300019896557	1	33	-1.0	-44.68	307.44	5.69	-38.99
NC1=NN=NN1C1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896558	0	37	-1.0	-41.89	338.36	5.88	-36.01
NC1=NN=NN1C1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896558	1	37	-1.0	-41.90	338.32	5.88	-36.02
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896559	0	39	0.0	-46.44	332.39	6.27	-40.17
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896559	1	39	0.0	-46.49	332.44	6.28	-40.21
CC1=C(C)NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019896560	0	33	-1.0	-43.01	302.96	3.83	-39.18
CC1=C(C)NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019896560	1	33	-1.0	-42.97	301.99	3.81	-39.16
CC1=NN=C(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019896561	0	34	-1.0	-40.16	315.36	0.37	-39.79
CC1=NN=C(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896561	1	34	-1.0	-40.22	315.40	0.37	-39.85
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NN=C(C2CC2)O1	REAL300019896562	0	32	-1.0	-40.13	304.46	0.70	-39.43
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NN=C(C2CC2)O1	REAL300019896562	1	32	-1.0	-40.07	304.51	0.70	-39.37
CCN1C(Br)=NC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896563	0	33	-1.0	-31.73	311.83	6.13	-25.60
CCN1C(Br)=NC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896563	1	33	-1.0	-31.74	311.79	6.13	-25.61
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CNC1=O	REAL300019896564	0	33	-1.0	-49.01	318.85	4.21	-44.80
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=CNC1=O	REAL300019896564	1	33	-1.0	-49.01	318.94	4.22	-44.79
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CN2N=NN=C12	REAL300019896565	0	31	-1.0	-53.85	293.34	4.52	-49.33
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CN2N=NN=C12	REAL300019896565	1	31	-1.0	-54.56	293.17	4.42	-50.14
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=CNC1=O	REAL300019896566	0	30	-1.0	-50.20	285.87	3.25	-46.95
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=CNC1=O	REAL300019896566	1	30	-1.0	-49.43	284.85	3.42	-46.01
C#CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896567	0	32	-1.0	-37.25	305.42	7.18	-30.07
C#CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896567	1	32	-1.0	-37.22	305.47	7.19	-30.03
N#CC1(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CCOC1	REAL300019896568	0	32	-1.0	-35.46	295.41	3.05	-32.41
N#CC1(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CCOC1	REAL300019896568	1	32	-1.0	-35.42	295.45	3.07	-32.35
O=CC1=CC=C(F)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896569	0	32	-1.0	-49.07	305.99	5.80	-43.27
O=CC1=CC=C(F)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896569	1	32	-1.0	-49.01	306.04	5.80	-43.21
O=CC1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896570	0	35	-1.0	-40.40	325.13	6.37	-34.03
O=CC1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896570	1	35	-1.0	-40.41	325.17	6.38	-34.03
O=CC1=CNC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C12	REAL300019896571	0	36	-1.0	-40.38	333.24	5.78	-34.60
O=CC1=CNC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C12	REAL300019896571	1	36	-1.0	-40.34	333.29	5.77	-34.57
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019896572	0	37	-1.0	-47.03	335.24	0.85	-46.18
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019896572	1	37	-1.0	-47.23	336.21	0.87	-46.36
CC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC=N1	REAL300019896573	0	34	-1.0	-38.75	307.64	3.36	-35.39
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC=N1	REAL300019896573	1	34	-1.0	-38.79	307.69	3.37	-35.42
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2SC=CC2=C1	REAL300019896574	0	32	-1.0	-38.76	309.22	5.45	-33.31
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2SC=CC2=C1	REAL300019896574	1	32	-1.0	-38.76	309.17	5.44	-33.32
O=C(CC(F)(F)C(F)(F)F)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896575	0	29	-1.0	-34.19	292.78	4.98	-29.21
O=C(CC(F)(F)C(F)(F)F)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896575	1	29	-1.0	-34.18	292.82	4.99	-29.19
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL300019896576	0	32	-1.0	-37.35	321.13	5.06	-32.29
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=C(Cl)N=CC=C2O1	REAL300019896576	1	32	-1.0	-37.34	321.09	5.06	-32.28
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COC(C(F)(F)F)=N1	REAL300019896577	0	29	-1.0	-39.52	298.84	1.75	-37.77
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=COC(C(F)(F)F)=N1	REAL300019896577	1	29	-1.0	-39.55	298.79	1.74	-37.81
COC1=CC=C(C=O)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896578	0	36	-1.0	-51.58	328.67	6.18	-45.40
COC1=CC=C(C=O)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896578	1	36	-1.0	-51.60	328.72	6.18	-45.42
O=CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1F	REAL300019896579	0	32	-1.0	-37.50	305.00	5.78	-31.72
O=CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1F	REAL300019896579	1	32	-1.0	-37.45	305.04	5.78	-31.67
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSN=C1Cl	REAL300019896580	0	26	-1.0	-33.24	276.43	4.04	-29.20
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSN=C1Cl	REAL300019896580	1	26	-1.0	-33.24	276.38	4.04	-29.20
CS(=O)(=O)N1CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896581	0	35	-1.0	-43.35	328.10	0.94	-42.41
CS(=O)(=O)N1CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896581	1	35	-1.0	-43.29	328.14	0.94	-42.35
O=C(CCOC1COC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896582	0	35	-1.0	-35.34	315.17	2.28	-33.06
O=C(CCOC1COC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896582	1	35	-1.0	-35.38	315.21	2.28	-33.10
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSC=C1Cl	REAL300019896583	0	27	-1.0	-36.11	283.27	5.44	-30.67
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSC=C1Cl	REAL300019896583	1	27	-1.0	-36.12	283.32	5.44	-30.68
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019896584	0	41	-1.0	-35.98	347.93	5.94	-30.04
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019896584	1	41	-1.0	-35.98	347.97	5.95	-30.03
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019896585	0	44	-1.0	-38.92	380.93	8.69	-30.23
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019896585	1	44	-1.0	-38.91	380.97	8.69	-30.22
CCC(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(C)(C)C	REAL300019896586	0	44	-1.0	-34.40	338.99	6.93	-27.47
CCC(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(C)(C)C	REAL300019896586	1	44	-1.0	-34.38	339.03	6.91	-27.47
CCC1=CC=C(F)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896587	0	36	-1.0	-38.02	317.45	7.45	-30.57
CCC1=CC=C(F)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896587	1	36	-1.0	-38.03	317.49	7.46	-30.57
COCC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=CS1	REAL300019896588	0	34	-1.0	-38.64	320.10	4.74	-33.90
COCC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=CS1	REAL300019896588	1	34	-1.0	-38.63	320.15	4.75	-33.88
CN1C=CC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C21	REAL300019896589	0	37	-1.0	-40.90	331.89	7.73	-33.17
CN1C=CC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C21	REAL300019896589	1	37	-1.0	-40.88	331.93	7.73	-33.15
COC(=O)C1=NN(C)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896590	0	36	-1.0	-34.33	330.30	4.53	-29.80
COC(=O)C1=NN(C)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896590	1	36	-1.0	-34.34	330.27	4.53	-29.81
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C[C@H]1C	REAL300019896591	0	40	-1.0	-38.23	354.33	6.02	-32.21
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C[C@H]1C	REAL300019896591	1	40	-1.0	-38.20	354.37	6.02	-32.18
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896592	0	31	-1.0	-36.55	318.99	6.86	-29.69
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896592	1	31	-1.0	-36.56	319.03	6.88	-29.68
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NN(C2CCOCC2)C=C1	REAL300019896593	0	41	-1.0	-42.41	356.27	4.60	-37.81
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NN(C2CCOCC2)C=C1	REAL300019896593	1	41	-1.0	-42.41	356.23	4.60	-37.81
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)OC2=O	REAL300019896594	0	43	-1.0	-41.82	356.29	6.54	-35.28
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)OC2=O	REAL300019896594	1	43	-1.0	-41.79	356.34	6.54	-35.25
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300019896595	0	40	-1.0	-38.78	358.27	8.50	-30.28
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300019896595	1	40	-1.0	-38.72	358.31	8.50	-30.22
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CNC(=O)C2=CC=CC=C21	REAL300019896596	0	38	-1.0	-38.87	337.61	4.32	-34.55
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL300019896596	1	38	-1.0	-38.85	337.65	4.32	-34.53
O=C(CC1CCC(F)(F)CC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896597	0	39	-1.0	-34.67	332.81	7.04	-27.63
O=C(CC1CCC(F)(F)CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896597	1	39	-1.0	-34.72	332.85	7.05	-27.67
CC1=CN(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=C1C(F)(F)F	REAL300019896598	0	36	-1.0	-38.82	343.70	5.68	-33.14
CC1=CN(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=C1C(F)(F)F	REAL300019896598	1	36	-1.0	-38.86	343.65	5.67	-33.19
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896599	0	40	-1.0	-35.77	351.17	8.66	-27.11
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896599	1	40	-1.0	-35.82	351.21	8.66	-27.16
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)O1	REAL300019896600	0	30	-1.0	-40.55	297.07	5.09	-35.46
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)O1	REAL300019896600	1	30	-1.0	-40.52	297.11	5.09	-35.43
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(C(F)F)N=CO1	REAL300019896601	0	29	-1.0	-39.70	286.78	1.58	-38.12
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(C(F)F)N=CO1	REAL300019896601	1	29	-1.0	-39.68	286.82	1.58	-38.10
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(C#CCO)=C1	REAL300019896602	0	36	-1.0	-40.52	337.70	4.78	-35.74
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(C#CCO)=C1	REAL300019896602	1	36	-1.0	-39.74	337.75	4.79	-34.95
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(=O)N=C[N-]1	REAL300019896603	0	28	-2.0	-84.98	276.46	1.68	-83.30
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(=O)N=C[N-]1	REAL300019896603	1	28	-2.0	-85.93	277.46	1.71	-84.22
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(=O)N=CN1	REAL300019896603	1	29	-1.0	-39.04	278.79	2.21	-36.83
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(=O)N=CN1	REAL300019896603	1	29	-1.0	-39.07	278.74	2.21	-36.86
O=C(CN1CCOC1=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896604	0	32	-1.0	-46.49	297.09	3.47	-43.02
O=C(CN1CCOC1=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896604	1	32	-1.0	-46.51	297.13	3.48	-43.03
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896605	0	44	-1.0	-36.14	376.46	0.37	-35.77
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896605	1	44	-1.0	-36.11	376.51	0.37	-35.74
O=C(CCCN1C=NC=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896606	0	35	-1.0	-42.53	320.53	6.86	-35.67
O=C(CCCN1C=NC=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896606	1	35	-1.0	-42.50	320.49	6.86	-35.64
CC1=C(C=O)C(C)=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N1	REAL300019896607	0	36	-1.0	-39.84	323.17	4.75	-35.09
CC1=C(C=O)C(C)=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N1	REAL300019896607	1	36	-1.0	-39.81	323.21	4.75	-35.06
O=C(CN1CCNC(=O)C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896608	0	36	-1.0	-41.88	315.02	0.06	-41.82
O=C(CN1CCNC(=O)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896608	1	36	-1.0	-41.81	315.07	0.07	-41.74
CCCC=CC(O)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896609	0	37	-1.0	-34.73	328.48	4.58	-30.15
CCCC=CC(O)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896609	1	37	-1.0	-34.69	328.52	4.57	-30.12
COC1=CC(CO)=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896610	0	38	-1.0	-42.72	337.35	3.72	-39.00
COC1=CC(CO)=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896610	1	38	-1.0	-42.68	337.39	3.73	-38.95
O=C(CC1CCN(CC(F)F)CC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896611	0	44	-1.0	-37.92	359.71	5.01	-32.91
O=C(CC1CCN(CC(F)F)CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896611	1	44	-1.0	-37.91	359.77	5.01	-32.90
COC1=CC(OC)=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C=O	REAL300019896612	0	40	-1.0	-41.04	354.85	6.76	-34.28
COC1=CC(OC)=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C=O	REAL300019896612	1	40	-1.0	-40.97	354.89	6.77	-34.20
NC1=C2N=CN(CCCC(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C2=NC=N1	REAL300019896613	0	42	-1.0	-42.69	376.88	6.81	-35.88
NC1=C2N=CN(CCCC(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C2=NC=N1	REAL300019896613	1	42	-1.0	-42.73	376.84	6.81	-35.92
O=C(CC(O)COCC1=CC=CC=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896614	0	44	-1.0	-40.43	389.65	5.28	-35.15
O=C(CC(O)COCC1=CC=CC=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896614	1	44	-1.0	-40.41	389.69	5.29	-35.12
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(Cl)=NN1	REAL300019896615	0	30	-1.0	-36.04	300.65	3.34	-32.70
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(Cl)=NN1	REAL300019896615	1	30	-1.0	-40.44	299.68	3.31	-37.13
CC1=NC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019896616	0	32	-1.0	-38.38	300.26	2.26	-36.12
CC1=NC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896616	1	32	-1.0	-38.36	300.30	2.28	-36.08
O=C(CC1=CON=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896617	0	29	-1.0	-36.18	277.87	4.07	-32.11
O=C(CC1=CON=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896617	1	29	-1.0	-36.21	277.83	4.06	-32.15
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019896618	0	40	-1.0	-53.79	357.73	4.30	-49.49
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019896618	1	40	-1.0	-53.80	357.77	4.29	-49.51
CC1CCC2=NC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CN2C1	REAL300019896619	0	40	-1.0	-45.74	346.39	6.73	-39.01
CC1CCC2=NC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CN2C1	REAL300019896619	1	40	-1.0	-45.71	346.44	6.73	-38.98
CC1=NC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019896620	0	33	-1.0	-37.60	319.00	5.14	-32.46
CC1=NC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019896620	1	33	-1.0	-37.56	319.05	5.15	-32.41
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL300019896621	0	40	-1.0	-46.14	349.91	5.30	-40.84
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC(N2CCCC2=O)=C1	REAL300019896621	1	40	-1.0	-46.25	349.86	5.29	-40.96
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NC2=CC=NN21	REAL300019896622	0	32	-1.0	-44.18	297.15	5.23	-38.95
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NC2=CC=NN21	REAL300019896622	1	32	-1.0	-44.21	297.11	5.22	-38.99
NC(=O)C1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019896623	0	36	-1.0	-38.93	334.70	1.73	-37.20
NC(=O)C1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019896623	1	36	-1.0	-38.99	334.65	1.72	-37.27
O=CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019896624	0	29	-1.0	-35.87	294.96	4.85	-31.02
O=CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019896624	1	29	-1.0	-35.87	295.01	4.85	-31.02
C[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019896625	0	39	0.0	-54.93	322.36	6.03	-48.90
C[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019896625	1	39	0.0	-54.83	322.33	6.03	-48.80
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=CN=C1Cl	REAL300019896626	0	28	-1.0	-40.00	282.95	2.86	-37.14
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=CN=C1Cl	REAL300019896626	1	28	-1.0	-40.07	282.90	2.86	-37.21
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC2=CC=NN2C=C1	REAL300019896627	0	32	-1.0	-42.14	302.88	4.96	-37.18
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC2=CC=NN2C=C1	REAL300019896627	1	32	-1.0	-42.17	302.84	4.96	-37.21
CN1C=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N(C)C1=O	REAL300019896628	0	34	-1.0	-36.32	310.36	4.73	-31.59
CN1C=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N(C)C1=O	REAL300019896628	1	34	-1.0	-36.29	310.41	4.73	-31.56
CC1=C(C)C(=O)N(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1=O	REAL300019896629	0	40	-1.0	-40.66	364.75	5.27	-35.39
CC1=C(C)C(=O)N(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1=O	REAL300019896629	1	40	-1.0	-40.66	364.80	5.27	-35.39
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC2CSCC(C1)C2=O	REAL300019896630	0	40	-1.0	-35.62	338.14	6.54	-29.08
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC2CSCC(C1)C2=O	REAL300019896630	1	40	-1.0	-35.60	338.19	6.54	-29.06
CCOC(=O)C1CCCN(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896631	0	47	-1.0	-37.38	394.85	5.62	-31.76
CCOC(=O)C1CCCN(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896631	1	47	-1.0	-37.35	394.90	5.63	-31.72
CCC(C)C(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300019896632	0	45	-1.0	-33.24	365.83	8.56	-24.68
CCC(C)C(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300019896632	1	45	-1.0	-33.27	365.85	8.55	-24.72
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL300019896633	0	50	0.0	-56.24	390.00	6.68	-49.56
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC(N2CCOCC2)CC1	REAL300019896633	1	49	-1.0	-37.01	379.65	4.27	-32.74
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC(N2CCOCC2)CC1	REAL300019896633	1	49	-1.0	-37.02	379.71	4.27	-32.75
CC1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N1C	REAL300019896634	0	33	-1.0	-40.16	298.06	4.91	-35.25
CC1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N1C	REAL300019896634	1	33	-1.0	-40.05	297.06	4.89	-35.16
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896635	0	31	-1.0	-46.30	287.44	1.58	-44.72
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896635	1	31	-1.0	-46.28	287.48	1.60	-44.68
CC[C@@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019896636	0	38	0.0	-47.13	308.84	5.42	-41.71
CC[C@@H](C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)N(C)C	REAL300019896636	1	37	-1.0	-35.10	311.22	3.74	-31.36
CC[C@@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)N(C)C	REAL300019896636	1	37	-1.0	-35.10	311.27	3.74	-31.36
O=CC1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019896637	0	36	-1.0	-39.06	334.89	6.88	-32.18
O=CC1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019896637	1	36	-1.0	-39.04	334.93	6.88	-32.16
CC[C@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019896638	0	38	0.0	-46.56	307.88	5.46	-41.10
CC[C@H](C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)N(C)C	REAL300019896638	1	37	-1.0	-34.91	303.58	2.83	-32.08
CC[C@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)N(C)C	REAL300019896638	1	37	-1.0	-34.90	303.64	2.83	-32.07
O=CC1=CC(F)=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019896639	0	32	-1.0	-43.76	310.51	5.86	-37.90
O=CC1=CC(F)=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300019896639	1	32	-1.0	-43.76	310.55	5.87	-37.89
CN1CCOC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C21	REAL300019896640	0	40	-1.0	-38.48	343.98	4.59	-33.89
CN1CCOC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C21	REAL300019896640	1	40	-1.0	-38.47	344.04	4.59	-33.88
CC1CCN2C=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)N=C2C1	REAL300019896641	0	40	-1.0	-46.39	346.38	6.75	-39.64
CC1CCN2C=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)N=C2C1	REAL300019896641	1	40	-1.0	-46.33	346.43	6.75	-39.58
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896642	0	44	0.0	-49.32	350.09	4.57	-44.75
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896642	1	44	0.0	-48.54	349.25	4.16	-44.38
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896642	1	44	0.0	-49.36	350.05	4.57	-44.79
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896642	1	44	0.0	-48.51	349.21	4.15	-44.36
CCC(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC1	REAL300019898202	0	42	-1.0	-34.36	341.73	7.52	-26.84
CCC(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019898202	1	42	-1.0	-34.33	341.77	7.52	-26.81
CCOC1=CC=C2NC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019898203	0	44	-1.0	-36.51	379.98	6.80	-29.71
CCOC1=CC=C2NC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019898203	1	44	-1.0	-36.45	380.02	6.80	-29.65
CCC1=CC=C2NC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019898204	0	43	-1.0	-36.50	371.45	8.02	-28.48
CCC1=CC=C2NC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019898204	1	43	-1.0	-36.52	371.50	8.03	-28.49
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL300019898205	0	43	-1.0	-37.67	365.28	7.72	-29.95
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL300019898205	1	43	-1.0	-37.61	365.34	7.72	-29.89
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL300019898206	0	46	-1.0	-36.28	388.63	8.50	-27.78
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300019898206	1	46	-1.0	-36.30	388.67	8.50	-27.80
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898207	0	41	-1.0	-40.94	365.98	6.08	-34.86
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898207	1	41	-1.0	-40.91	365.93	6.07	-34.84
CC1=NC=CC=C1C=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898208	0	36	-1.0	-37.01	324.46	5.89	-31.12
CC1=NC=CC=C1C=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898208	1	36	-1.0	-37.01	324.50	5.90	-31.11
CC1=CN=CC=C1C=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898209	0	36	-1.0	-36.80	324.61	5.92	-30.88
CC1=CN=CC=C1C=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898209	1	36	-1.0	-36.79	324.65	5.93	-30.86
CNC(=O)C1=CN=CC(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898210	0	40	-1.0	-41.75	363.25	3.65	-38.10
CNC(=O)C1=CN=CC(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898210	1	40	-1.0	-41.73	363.29	3.66	-38.07
O=C(C=CC1=CC=NC(Cl)=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898211	0	33	-1.0	-35.96	323.66	5.84	-30.12
O=C(C=CC1=CC=NC(Cl)=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898211	1	33	-1.0	-35.92	323.70	5.84	-30.08
COC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1N	REAL300019898212	0	36	-1.0	-37.14	316.38	3.61	-33.53
COC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1N	REAL300019898212	1	36	-1.0	-37.13	316.42	3.61	-33.52
COC1=CC=C(C)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1N	REAL300019898213	0	39	-1.0	-38.59	342.11	3.65	-34.94
COC1=CC=C(C)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1N	REAL300019898213	1	39	-1.0	-38.54	342.16	3.66	-34.88
O=C(C=CC1=CC=NC2=CC=CC=C12)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898214	0	39	-1.0	-38.36	350.49	7.46	-30.90
O=C(C=CC1=CC=NC2=CC=CC=C12)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898214	1	39	-1.0	-38.30	350.53	7.46	-30.84
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898215	0	37	-1.0	-35.25	337.47	7.87	-27.38
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898215	1	37	-1.0	-35.26	337.73	7.88	-27.38
CC(=CC1=CC=CS1)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898216	0	34	-1.0	-36.95	312.48	6.56	-30.39
CC(=CC1=CC=CS1)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898216	1	34	-1.0	-36.96	312.52	6.56	-30.40
NS(=O)(=O)C1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019898217	0	41	-1.0	-43.34	358.33	1.12	-42.22
NS(=O)(=O)C1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019898217	1	41	-1.0	-43.32	358.38	1.12	-42.20
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300019898218	0	36	-1.0	-43.67	341.45	7.11	-36.56
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300019898218	1	36	-1.0	-43.69	341.41	7.11	-36.58
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(O)C1=CC=C(F)C(Cl)=C1	REAL300019898219	0	34	-1.0	-33.63	332.72	5.20	-28.43
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(O)C1=CC=C(F)C(Cl)=C1	REAL300019898219	1	34	-1.0	-33.64	332.77	5.20	-28.44
COC1=CSC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1OC	REAL300019898220	0	35	-1.0	-39.24	330.98	4.87	-34.37
COC1=CSC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1OC	REAL300019898220	1	35	-1.0	-38.63	330.01	4.86	-33.77
CSC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019898221	0	37	-1.0	-35.48	359.36	8.15	-27.33
CSC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019898221	1	37	-1.0	-35.45	359.41	8.17	-27.28
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC2CCC(C2)C1	REAL300019898222	0	40	-1.0	-33.77	300.09	6.93	-26.84
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC2CCC(C2)C1	REAL300019898222	1	40	-1.0	-33.72	300.12	6.93	-26.79
CC1=CC2=NC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2C=C1	REAL300019898223	0	38	-1.0	-40.30	339.90	7.01	-33.29
CC1=CC2=NC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2C=C1	REAL300019898223	1	38	-1.0	-40.24	339.94	7.01	-33.23
COC1=C(F)C=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1F	REAL300019898224	0	34	-1.0	-34.93	321.23	5.52	-29.41
COC1=C(F)C=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1F	REAL300019898224	1	34	-1.0	-34.88	321.27	5.53	-29.35
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300019898225	0	36	-1.0	-39.48	340.78	6.02	-33.46
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300019898225	1	36	-1.0	-39.52	340.82	6.02	-33.50
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC(C2=COC=C2)=C1	REAL300019898226	0	36	-1.0	-38.78	331.45	5.78	-33.00
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC(C2=COC=C2)=C1	REAL300019898226	1	36	-1.0	-38.81	331.41	5.77	-33.04
CC1(C)C(=O)CC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898227	0	35	-1.0	-34.44	308.36	5.12	-29.32
CC1(C)C(=O)CC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898227	1	35	-1.0	-34.38	308.36	5.12	-29.26
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898228	0	36	-1.0	-34.92	314.20	6.42	-28.50
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898228	1	36	-1.0	-34.93	314.25	6.42	-28.51
CC1(C)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CCS1(=O)=O	REAL300019898229	0	39	-1.0	-42.07	332.19	3.10	-38.97
CC1(C)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CCS1(=O)=O	REAL300019898229	1	39	-1.0	-42.07	332.23	3.10	-38.97
CCCC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)OC=N1	REAL300019898230	0	35	-1.0	-38.24	318.18	2.83	-35.41
CCCC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)OC=N1	REAL300019898230	1	35	-1.0	-37.93	317.21	2.80	-35.13
COC1=CC(F)=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1N	REAL300019898231	0	36	-1.0	-37.45	322.78	3.68	-33.77
COC1=CC(F)=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1N	REAL300019898231	1	36	-1.0	-37.46	322.83	3.69	-33.77
CC1=CC=C(C)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019898232	0	35	-1.0	-42.51	312.90	5.55	-36.96
CC1=CC=C(C)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019898232	1	35	-1.0	-42.48	312.95	5.56	-36.92
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300019898233	0	36	-1.0	-40.01	320.80	4.35	-35.66
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300019898233	1	36	-1.0	-40.02	320.76	4.35	-35.67
CCCC1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019898234	0	42	-1.0	-35.81	366.24	8.86	-26.95
CCCC1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019898234	1	42	-1.0	-35.76	366.28	8.87	-26.89
CC(C)N1C=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC1=O	REAL300019898235	0	39	-1.0	-39.18	337.76	6.27	-32.91
CC(C)N1C=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC1=O	REAL300019898235	1	39	-1.0	-39.20	338.77	6.30	-32.90
O=C(CCCCN1C(=O)CCC1=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898236	0	42	-1.0	-43.53	371.59	5.68	-37.85
O=C(CCCCN1C(=O)CCC1=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898236	1	42	-1.0	-43.49	371.63	5.69	-37.80
CC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL300019898237	0	42	-1.0	-36.25	359.17	8.36	-27.89
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL300019898237	1	42	-1.0	-36.27	359.21	8.37	-27.90
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC(Cl)=N1	REAL300019898238	0	27	-1.0	-43.09	278.25	3.26	-39.83
C=CC1(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CCOCC1	REAL300019898239	0	41	-1.0	-34.97	330.97	5.10	-29.87
C=CC1(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CCOCC1	REAL300019898239	1	41	-1.0	-35.00	331.02	5.10	-29.90
CN1C=CC(N2C=NC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C2)=N1	REAL300019898240	0	37	-1.0	-48.91	344.33	7.21	-41.70
CN1C=CC(N2C=NC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C2)=N1	REAL300019898240	1	37	-1.0	-49.06	345.31	7.22	-41.84
CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898241	0	37	-1.0	-36.02	330.83	7.80	-28.22
CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898241	1	37	-1.0	-35.97	330.88	7.80	-28.17
CCCCC1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CS1	REAL300019898242	0	38	-1.0	-41.56	351.88	6.01	-35.55
CCCCC1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CS1	REAL300019898242	1	38	-1.0	-41.62	351.93	6.01	-35.61
O=C(CF)C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019898243	0	35	-1.0	-38.58	327.01	6.62	-31.96
O=C(CF)C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019898243	1	35	-1.0	-38.53	327.05	6.63	-31.90
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2C=CNC2=CN=C1	REAL300019898244	0	33	-1.0	-44.37	301.03	4.19	-40.18
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2C=CNC2=CN=C1	REAL300019898244	1	33	-1.0	-44.33	301.07	4.19	-40.14
CN(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL300019898245	0	39	-1.0	-38.93	358.71	6.15	-32.78
CN(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL300019898245	1	39	-1.0	-38.91	358.75	6.15	-32.76
CC1=CC=CC(C2=NOC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C2)=C1	REAL300019898246	0	39	-1.0	-39.23	357.37	7.63	-31.60
CC1=CC=CC(C2=NOC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C2)=C1	REAL300019898246	1	39	-1.0	-39.64	358.36	7.65	-31.99
CN1N=NC=C1C(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898247	0	32	-1.0	-35.74	306.81	3.05	-32.69
CN1N=NC=C1C(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898247	1	32	-1.0	-35.76	306.76	3.04	-32.72
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C12CC3CC(CC(O)(C3)C1)C2	REAL300019898248	0	45	-1.0	-38.64	352.79	4.53	-34.11
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL300019898248	1	45	-1.0	-38.55	352.84	4.54	-34.01
O=CC1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N1	REAL300019898249	0	33	-1.0	-39.67	310.32	3.95	-35.72
O=CC1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N1	REAL300019898249	1	33	-1.0	-39.72	310.36	3.95	-35.77
CC1CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL300019898250	0	47	-1.0	-40.93	393.62	6.62	-34.31
CC1CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL300019898250	1	47	-1.0	-40.90	393.67	6.63	-34.27
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=NNC(=O)N2C=C1	REAL300019898251	0	33	-1.0	-35.59	309.56	4.25	-31.34
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=NNC(=O)N2C=C1	REAL300019898251	1	33	-1.0	-35.59	309.60	4.25	-31.34
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CN2C=NN=C12	REAL300019898252	0	32	-1.0	-58.27	297.76	7.57	-50.70
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CN2C=NN=C12	REAL300019898252	1	32	-1.0	-58.34	297.72	7.57	-50.77
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)NC2=C(C)C=CC=C12	REAL300019898253	0	40	-1.0	-37.05	349.78	7.23	-29.82
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)NC2=C(C)C=CC=C12	REAL300019898253	1	40	-1.0	-36.98	349.82	7.24	-29.74
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019898254	0	41	-1.0	-41.90	361.05	7.97	-33.93
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019898254	1	41	-1.0	-41.91	361.09	7.97	-33.94
CCC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019898255	0	44	-1.0	-41.77	382.40	8.69	-33.08
CCC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019898255	1	44	-1.0	-41.73	382.44	8.70	-33.03
CCCC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N1	REAL300019898256	0	37	-1.0	-35.64	329.24	5.85	-29.79
CCCC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N1	REAL300019898256	1	37	-1.0	-35.61	329.28	5.86	-29.75
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898257	0	39	-1.0	-36.58	343.63	7.68	-28.90
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898257	1	39	-1.0	-36.58	343.71	7.69	-28.89
N#CC1CCCC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019898258	0	40	-1.0	-43.34	338.11	6.91	-36.43
N#CC1CCCC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019898258	1	40	-1.0	-43.37	338.16	6.91	-36.46
CC1(C)CC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC(C)(C)O1	REAL300019898259	0	49	-1.0	-35.02	388.64	7.20	-27.82
CC1(C)CC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC(C)(C)O1	REAL300019898259	1	49	-1.0	-35.00	388.69	7.20	-27.80
O=C(CC1CCN2C=NC=C2C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898260	0	40	-1.0	-39.50	341.45	7.57	-31.93
O=C(CC1CCN2C=NC=C2C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898260	1	40	-1.0	-39.50	341.50	7.60	-31.90
O=C(CCCCCN1C=NN=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898261	0	40	-1.0	-45.57	358.33	6.19	-39.38
O=C(CCCCCN1C=NN=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898261	1	40	-1.0	-45.61	358.30	6.19	-39.42
O=C(CCC1=NC=C(F)C=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898262	0	34	-1.0	-36.57	319.66	4.71	-31.86
O=C(CCC1=NC=C(F)C=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898262	1	34	-1.0	-36.55	319.70	4.72	-31.83
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)NCC2=C1	REAL300019898263	0	37	-1.0	-39.15	331.51	3.07	-36.08
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)NCC2=C1	REAL300019898263	1	37	-1.0	-39.07	332.52	3.06	-36.01
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O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1CC=CCC1	REAL300019898265	0	34	-1.0	-34.51	295.71	6.11	-28.40
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CC=CCC1	REAL300019898265	1	34	-1.0	-34.49	295.75	6.11	-28.38
CN1N=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL300019898266	0	36	-1.0	-43.87	336.25	6.02	-37.85
CN1N=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL300019898266	1	36	-1.0	-43.91	336.20	6.02	-37.89
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O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COC2=C1CS(=O)(=O)C2	REAL300019898267	1	34	-1.0	-42.64	326.99	1.88	-40.76
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O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2CCOC2)C=C1	REAL300019898268	1	41	-1.0	-36.91	352.00	6.57	-30.34
CN1C=C(C2=NOC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C2)C=N1	REAL300019898269	0	36	-1.0	-40.34	341.67	4.84	-35.50
CN1C=C(C2=NOC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C2)C=N1	REAL300019898269	1	36	-1.0	-40.35	341.62	4.83	-35.52
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC2=C1CCCC2	REAL300019898270	0	39	-1.0	-38.67	330.35	6.70	-31.97
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC2=C1CCCC2	REAL300019898270	1	39	-1.0	-38.63	330.39	6.70	-31.93
CC1=CC=CN2N=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C12	REAL300019898271	0	36	-1.0	-43.61	319.03	6.41	-37.20
CC1=CC=CN2N=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C12	REAL300019898271	1	36	-1.0	-43.59	318.99	6.40	-37.19
C=CCNC(=O)C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019898272	0	41	-1.0	-41.23	368.93	5.68	-35.55
C=CCNC(=O)C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019898272	1	41	-1.0	-41.28	368.97	5.68	-35.60
O=C(CC1CC(=O)C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898273	0	32	-1.0	-37.40	292.48	4.81	-32.59
O=C(CC1CC(=O)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898273	1	32	-1.0	-37.40	292.52	4.81	-32.59
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL300019898274	0	39	-1.0	-40.29	357.99	7.85	-32.44
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL300019898274	1	39	-1.0	-40.21	357.95	7.83	-32.38
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=CN=NN21	REAL300019898275	0	32	-1.0	-54.85	296.40	4.67	-50.18
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=CN=NN21	REAL300019898275	1	32	-1.0	-54.85	296.36	4.66	-50.19
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL300019898276	0	40	-1.0	-37.17	349.97	7.25	-29.92
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL300019898276	1	40	-1.0	-37.20	350.98	7.28	-29.92
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C12	REAL300019898277	0	39	-1.0	-34.49	356.68	7.25	-27.24
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C12	REAL300019898277	1	39	-1.0	-34.53	356.72	7.26	-27.27
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL300019898278	0	37	-1.0	-35.42	345.31	7.08	-28.34
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL300019898278	1	37	-1.0	-35.40	345.35	7.09	-28.31
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)NC2=CC(F)=CC=C12	REAL300019898279	0	37	-1.0	-35.90	335.01	6.65	-29.25
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)NC2=CC(F)=CC=C12	REAL300019898279	1	37	-1.0	-35.98	336.02	6.69	-29.29
CC1=C2N=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=CN2N=C1	REAL300019898280	0	35	-1.0	-42.42	323.75	5.60	-36.82
CC1=C2N=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=CN2N=C1	REAL300019898280	1	35	-1.0	-42.29	324.72	5.64	-36.65
COC(=O)C(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898281	0	32	-1.0	-38.08	294.00	5.18	-32.90
COC(=O)C(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898281	1	32	-1.0	-38.08	294.04	5.18	-32.90
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2SN=CC2=CC=C1	REAL300019898282	0	32	-1.0	-40.88	307.25	6.16	-34.72
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O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)C=N1	REAL300019898283	0	32	-1.0	-40.32	307.80	5.10	-35.22
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)C=N1	REAL300019898283	1	32	-1.0	-40.37	307.76	5.10	-35.27
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2SC=CC2=C(F)C=C1	REAL300019898284	0	33	-1.0	-35.25	318.02	7.37	-27.88
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2SC=CC2=C(F)C=C1	REAL300019898284	1	33	-1.0	-35.29	318.06	7.38	-27.91
CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300019898285	0	43	-1.0	-37.74	375.77	10.13	-27.61
CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300019898285	1	43	-1.0	-37.70	375.83	10.13	-27.57
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898286	0	43	-1.0	-40.79	368.20	10.09	-30.70
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898286	1	43	-1.0	-40.77	368.24	10.09	-30.68
COC1=CC(OC)=C(Cl)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898287	0	38	-1.0	-40.53	347.96	5.14	-35.39
COC1=CC(OC)=C(Cl)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898287	1	38	-1.0	-40.55	348.00	5.14	-35.41
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300019898288	0	35	-1.0	-42.89	316.43	5.02	-37.87
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300019898288	1	35	-1.0	-42.80	316.47	5.01	-37.79
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC2=C1N=CS2	REAL300019898289	0	36	-1.0	-41.03	324.69	5.97	-35.06
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC2=C1N=CS2	REAL300019898289	1	36	-1.0	-41.08	324.74	5.97	-35.11
CC1(C)CCC(F)(F)CC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898290	0	42	-1.0	-36.81	339.57	7.15	-29.66
CC1(C)CCC(F)(F)CC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898290	1	42	-1.0	-36.17	338.60	7.13	-29.04
CC1=CC=CN=C1C=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898291	0	36	-1.0	-40.58	326.76	6.18	-34.40
CC1=CC=CN=C1C=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898291	1	36	-1.0	-40.57	326.80	6.18	-34.39
CCC1=CSC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898292	0	33	-1.0	-36.41	305.97	6.32	-30.09
CCC1=CSC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898292	1	33	-1.0	-36.40	306.01	6.32	-30.08
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300019898293	0	42	-1.0	-42.52	377.30	8.67	-33.85
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300019898293	1	42	-1.0	-42.95	378.27	8.70	-34.25
CC(C)C1CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019898294	0	39	-1.0	-35.29	331.46	6.92	-28.37
CC(C)C1CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019898294	1	39	-1.0	-35.28	331.50	6.94	-28.34
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C(C(F)(F)F)S1	REAL300019898295	0	29	-1.0	-32.32	306.72	4.30	-28.02
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C(C(F)(F)F)S1	REAL300019898295	1	29	-1.0	-32.30	306.68	4.30	-28.00
COC1=CC=C2NN=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C2=C1	REAL300019898296	0	37	-1.0	-44.82	336.54	3.93	-40.89
COC1=CC=C2NN=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C2=C1	REAL300019898296	1	37	-1.0	-44.76	336.58	3.94	-40.82
COC1=CC=C2NC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019898297	0	41	-1.0	-36.71	358.13	5.87	-30.84
COC1=CC=C2NC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019898297	1	41	-1.0	-36.67	358.17	5.88	-30.79
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898298	0	39	-1.0	-34.35	352.06	8.08	-26.27
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898298	1	39	-1.0	-34.36	352.10	8.08	-26.28
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=NNC1=O	REAL300019898299	0	32	-1.0	-37.24	300.11	2.17	-35.07
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=NNC1=O	REAL300019898299	1	32	-1.0	-37.23	300.15	2.17	-35.06
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2C=CC=CN2N=N1	REAL300019898300	0	32	-1.0	-51.30	301.92	4.36	-46.94
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2C=CC=CN2N=N1	REAL300019898300	1	32	-1.0	-51.33	301.88	4.36	-46.97
CC1CCC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1C	REAL300019898301	0	45	-1.0	-34.44	349.30	7.66	-26.78
CC1CCC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1C	REAL300019898301	1	45	-1.0	-34.38	349.33	7.66	-26.72
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=CC2=NC=CC=C21	REAL300019898302	0	34	-1.0	-41.10	310.14	4.63	-36.47
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=CC2=NC=CC=C21	REAL300019898302	1	34	-1.0	-41.92	311.78	4.62	-37.30
CC1=CC=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019898303	0	31	-1.0	-43.58	292.72	4.08	-39.50
CC1=CC=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019898303	1	31	-1.0	-43.56	292.77	4.09	-39.47
CCN(CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019898304	0	49	-1.0	-41.55	407.07	6.94	-34.61
CCN(CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019898304	1	49	-1.0	-41.53	407.11	6.95	-34.58
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL300019898305	0	35	-1.0	-40.79	329.96	4.32	-36.47
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL300019898305	1	35	-1.0	-40.85	329.91	4.32	-36.53
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898306	0	36	-1.0	-35.58	331.96	7.20	-28.38
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898306	1	36	-1.0	-35.54	332.02	7.22	-28.32
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL300019898307	0	36	-1.0	-38.43	336.16	5.54	-32.89
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL300019898307	1	36	-1.0	-38.46	336.11	5.55	-32.91
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898308	0	39	-1.0	-41.41	340.34	2.94	-38.47
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898308	1	39	-1.0	-41.40	340.38	2.94	-38.46
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(CC(F)F)N=C1	REAL300019898309	0	33	-1.0	-38.93	317.83	4.88	-34.05
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(CC(F)F)N=C1	REAL300019898309	1	33	-1.0	-38.97	317.79	4.88	-34.09
CN1C=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1=O	REAL300019898310	0	32	-1.0	-52.77	295.02	4.78	-47.99
CN1C=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1=O	REAL300019898310	1	32	-1.0	-52.79	294.96	4.77	-48.02
CC1=CC=C(C=CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019898311	0	40	-1.0	-36.50	354.30	8.64	-27.86
CC1=CC=C(C=CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019898311	1	40	-1.0	-36.52	354.34	8.64	-27.88
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=CN1	REAL300019898312	0	35	-1.0	-42.69	329.40	1.69	-41.00
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=CN1	REAL300019898312	1	35	-1.0	-42.69	329.44	1.69	-41.00
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019898312	1	34	-2.0	-98.20	327.13	1.19	-97.01
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019898312	1	34	-2.0	-98.15	327.17	1.19	-96.96
O=C(C=CC1=CC=CC=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898313	0	34	-1.0	-36.93	311.75	7.15	-29.78
O=C(C=CC1=CC=CC=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898313	1	34	-1.0	-36.91	311.79	7.16	-29.75
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCN2C=NN=C12	REAL300019898314	0	36	-1.0	-49.35	315.29	6.87	-42.48
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCN2C=NN=C12	REAL300019898314	1	36	-1.0	-49.26	315.33	6.87	-42.39
CC1(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=N1	REAL300019898315	0	32	-1.0	-35.82	295.53	0.30	-35.52
CC1(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=N1	REAL300019898315	1	32	-1.0	-35.82	295.58	0.30	-35.52
CC(C)C1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1F	REAL300019898316	0	39	-1.0	-38.76	341.57	7.94	-30.82
CC(C)C1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1F	REAL300019898316	1	39	-1.0	-38.75	341.62	7.94	-30.81
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898317	0	39	-1.0	-38.87	342.93	7.99	-30.88
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898317	1	39	-1.0	-38.86	342.98	7.99	-30.87
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(F)C2=CC=CC=C2C=C1	REAL300019898318	0	36	-1.0	-39.70	327.94	8.31	-31.39
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL300019898318	1	36	-1.0	-39.69	327.99	8.31	-31.38
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)CF)C=C1	REAL300019898319	0	36	-1.0	-35.99	337.92	7.67	-28.32
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL300019898319	1	36	-1.0	-37.09	336.95	7.65	-29.44
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(F)(F)C1=CN=CC=N1	REAL300019898320	0	31	-1.0	-39.85	300.18	3.74	-36.11
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL300019898320	1	31	-1.0	-39.88	300.13	3.74	-36.14
CC(C)(C)OC(=O)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898321	0	38	-1.0	-38.29	329.72	6.50	-31.79
CC(C)(C)OC(=O)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898321	1	38	-1.0	-38.28	329.76	6.51	-31.77
COC1=CC=C(C#CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019898322	0	36	-1.0	-38.47	338.44	6.64	-31.83
COC1=CC=C(C#CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019898322	1	36	-1.0	-38.23	338.48	6.64	-31.59
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898323	0	46	-1.0	-37.05	396.11	4.22	-32.83
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898323	1	46	-1.0	-37.06	396.15	4.23	-32.83
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898324	0	44	-1.0	-39.44	375.94	9.53	-29.91
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898324	1	44	-1.0	-39.39	376.00	9.54	-29.85
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898325	0	44	-1.0	-38.93	375.97	9.33	-29.60
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898325	1	44	-1.0	-39.08	376.74	9.41	-29.67
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CN=CNC2=N1	REAL300019898326	0	32	-1.0	-52.45	302.89	5.17	-47.28
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CN=CNC2=N1	REAL300019898326	1	32	-1.0	-52.58	301.92	5.15	-47.43
CC(C)(C)C(=O)CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898327	0	40	-1.0	-37.81	344.93	6.19	-31.62
CC(C)(C)C(=O)CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898327	1	40	-1.0	-37.78	344.98	6.21	-31.57
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC(F)=N1	REAL300019898328	0	28	-1.0	-39.03	276.70	2.37	-36.66
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC(F)=N1	REAL300019898328	1	28	-1.0	-39.08	276.67	2.37	-36.71
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898329	0	33	-1.0	-32.83	310.50	5.17	-27.66
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898329	1	33	-1.0	-32.81	310.56	5.17	-27.64
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898330	0	39	-1.0	-36.13	353.31	8.02	-28.11
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898330	1	39	-1.0	-36.13	353.36	8.03	-28.10
CN1C(=O)N(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=C1C1CC1	REAL300019898331	0	40	-1.0	-47.36	363.74	6.43	-40.93
CN1C(=O)N(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=C1C1CC1	REAL300019898331	1	40	-1.0	-47.32	363.78	6.45	-40.87
CCN1C(=O)N(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=C1C	REAL300019898332	0	39	-1.0	-48.84	353.62	5.88	-42.96
CCN1C(=O)N(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=C1C	REAL300019898332	1	39	-1.0	-48.85	353.66	5.90	-42.95
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(C2CC2)=CC=N1	REAL300019898333	0	36	-1.0	-40.87	324.89	6.36	-34.51
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(C2CC2)=CC=N1	REAL300019898333	1	36	-1.0	-40.85	324.93	6.37	-34.48
NS(=O)(=O)C1=CSC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898334	0	32	-1.0	-41.66	325.91	-0.10	-41.76
NS(=O)(=O)C1=CSC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898334	1	32	-1.0	-40.65	324.94	-0.12	-40.77
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019898335	0	38	-1.0	-37.16	339.71	3.57	-33.59
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019898335	1	38	-1.0	-37.18	339.67	3.57	-33.61
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C1	REAL300019898336	0	35	-1.0	-37.21	318.79	7.74	-29.47
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C1	REAL300019898336	1	35	-1.0	-37.25	318.83	7.74	-29.51
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2C(=O)NC=CC2=C1	REAL300019898337	0	35	-1.0	-49.00	324.11	3.41	-45.59
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2C(=O)NC=CC2=C1	REAL300019898337	1	35	-1.0	-49.00	324.16	3.42	-45.58
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898338	0	44	-1.0	-44.43	388.20	7.63	-36.80
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898338	1	44	-1.0	-44.43	388.24	7.63	-36.80
CCC(C)C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(=O)N1	REAL300019898339	0	42	-1.0	-51.66	357.50	5.98	-45.68
CCC(C)C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(=O)N1	REAL300019898339	1	42	-1.0	-51.68	357.54	5.98	-45.70
CC1=CC=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898340	0	32	-1.0	-41.61	296.94	4.93	-36.68
CC1=CC=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898340	1	32	-1.0	-41.57	296.99	4.93	-36.64
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898341	0	40	-1.0	-35.02	366.88	8.36	-26.66
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898341	1	40	-1.0	-34.95	366.92	8.37	-26.58
CC1(F)CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019898342	0	33	-1.0	-35.98	294.83	5.59	-30.39
CC1(F)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019898342	1	33	-1.0	-35.94	294.87	5.59	-30.35
CC1=CC=C(OC(C)C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=C1	REAL300019898343	0	43	-1.0	-36.14	368.51	8.42	-27.72
CC1=CC=C(OC(C)C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C)=C1	REAL300019898343	1	43	-1.0	-36.14	368.55	8.43	-27.71
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300019898344	0	36	-1.0	-36.16	335.15	8.76	-27.40
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300019898344	1	36	-1.0	-37.09	336.82	8.75	-28.34
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300019898345	0	39	-1.0	-37.53	353.05	7.67	-29.86
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300019898345	1	39	-1.0	-37.58	353.01	7.66	-29.92
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(Cl)SC2=C1SN=N2	REAL300019898346	0	28	-1.0	-34.63	314.46	4.33	-30.30
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(Cl)SC2=C1SN=N2	REAL300019898346	1	28	-1.0	-34.65	314.42	4.32	-30.33
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)=C2	REAL300019898347	0	37	-1.0	-44.31	348.62	4.75	-39.56
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)=C2	REAL300019898347	1	37	-1.0	-44.26	348.66	4.75	-39.51
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)=C2	REAL300019898347	1	36	-2.0	-104.99	346.31	4.29	-100.70
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)=C2	REAL300019898347	1	36	-2.0	-104.92	346.36	4.29	-100.63
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL300019898348	0	35	-1.0	-49.45	339.23	4.68	-44.77
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL300019898348	1	35	-1.0	-49.42	339.28	4.69	-44.73
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300019898349	0	41	-1.0	-37.12	368.64	8.25	-28.87
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300019898349	1	41	-1.0	-37.11	368.68	8.25	-28.86
COC(=O)C1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1C	REAL300019898350	0	39	-1.0	-37.23	343.15	7.14	-30.09
COC(=O)C1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1C	REAL300019898350	1	39	-1.0	-37.24	343.22	7.14	-30.10
C=CCCC(CC(C)C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898351	0	45	-1.0	-35.80	369.18	8.59	-27.21
C=CCCC(CC(C)C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898351	1	45	-1.0	-35.77	369.24	8.59	-27.18
C=CCC(CC(C)C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898352	0	42	-1.0	-34.87	349.89	7.54	-27.33
C=CCC(CC(C)C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898352	1	42	-1.0	-34.80	349.94	7.55	-27.25
CC(C)(C)C1CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=NO1	REAL300019898353	0	40	-1.0	-38.47	342.92	5.06	-33.41
CC(C)(C)C1CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=NO1	REAL300019898353	1	40	-1.0	-38.44	342.96	5.07	-33.37
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2=CSC=C2)C=C1	REAL300019898354	0	37	-1.0	-37.62	343.19	8.41	-29.21
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CC[C@H](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(C)C	REAL300019898396	1	41	-1.0	-34.45	330.81	6.67	-27.78
CC1=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)SC=C1	REAL300019898397	0	33	-1.0	-35.37	312.25	6.35	-29.02
CC1=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)SC=C1	REAL300019898397	1	33	-1.0	-35.37	312.29	6.37	-29.00
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CCC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)N1C=NC=N1	REAL300019898399	0	35	-1.0	-35.59	310.96	6.59	-29.00
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CC(=O)C1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CS1	REAL300019898401	0	31	-1.0	-51.80	310.32	3.56	-48.24
CC(=O)C1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CS1	REAL300019898401	1	31	-1.0	-51.79	310.36	3.57	-48.22
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CC(=O)NC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(F)=C1	REAL300019898403	0	37	-1.0	-43.75	337.73	4.94	-38.81
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(F)=C1	REAL300019898403	1	37	-1.0	-45.62	338.76	4.97	-40.65
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898404	0	33	-1.0	-36.39	324.48	5.87	-30.52
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898404	1	33	-1.0	-36.38	324.53	5.88	-30.50
CC1=C2C=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)SC2=C(C)S1	REAL300019898405	0	36	-1.0	-41.04	352.05	7.96	-33.08
CC1=C2C=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)SC2=C(C)S1	REAL300019898405	1	36	-1.0	-40.97	352.09	7.96	-33.01
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN2N=CC=C2C=C1	REAL300019898406	0	33	-1.0	-36.73	305.38	5.77	-30.96
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN2N=CC=C2C=C1	REAL300019898406	1	33	-1.0	-36.73	305.34	5.76	-30.97
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC2=NN=CN21	REAL300019898407	0	36	-1.0	-39.64	311.77	6.80	-32.84
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC2=NN=CN21	REAL300019898407	1	36	-1.0	-39.65	311.81	6.81	-32.84
CC1(C)CCCC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019898408	0	43	-1.0	-38.24	351.69	6.66	-31.58
CC1(C)CCCC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019898408	1	43	-1.0	-38.25	351.73	6.67	-31.58
COC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CN=C1	REAL300019898409	0	36	-1.0	-35.92	329.32	4.93	-30.99
COC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CN=C1	REAL300019898409	1	36	-1.0	-35.88	329.27	4.93	-30.95
CCN1C(=O)CCC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898410	0	37	-1.0	-36.98	327.21	5.10	-31.88
CCN1C(=O)CCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898410	1	37	-1.0	-37.02	327.25	5.10	-31.92
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C2	REAL300019898411	0	42	-1.0	-47.73	351.84	2.65	-45.08
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C2	REAL300019898411	1	42	-1.0	-47.74	351.88	2.65	-45.09
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898412	0	37	-1.0	-37.50	341.51	8.20	-29.30
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898412	1	37	-1.0	-37.49	341.55	8.19	-29.30
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019898413	0	38	-1.0	-51.38	343.11	6.82	-44.56
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019898413	1	38	-1.0	-51.37	343.15	6.84	-44.53
O=C(CC1CC=CC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898414	0	34	-1.0	-34.60	297.87	6.18	-28.42
O=C(CC1CC=CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898414	1	34	-1.0	-34.61	297.92	6.19	-28.42
COC1=CC2=NC=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C2C=C1	REAL300019898415	0	39	-1.0	-36.51	343.80	5.67	-30.84
COC1=CC2=NC=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C2C=C1	REAL300019898415	1	39	-1.0	-36.55	343.76	5.67	-30.88
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NC2=C1CCC2	REAL300019898416	0	36	-1.0	-36.67	316.08	6.06	-30.61
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NC2=C1CCC2	REAL300019898416	1	36	-1.0	-36.66	316.12	6.06	-30.60
CCSC1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019898417	0	43	-1.0	-34.80	366.23	8.14	-26.66
CCSC1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019898417	1	43	-1.0	-34.85	366.28	8.14	-26.71
CC1=CC(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC(C)=N1	REAL300019898418	0	41	-1.0	-36.74	361.36	6.90	-29.84
CC1=CC(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC(C)=N1	REAL300019898418	1	41	-1.0	-36.71	361.40	6.91	-29.80
CC1=CC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2C=C1	REAL300019898419	0	39	-1.0	-38.25	344.65	8.89	-29.36
CC1=CC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2C=C1	REAL300019898419	1	39	-1.0	-38.22	344.69	8.89	-29.33
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898420	0	36	-1.0	-40.67	327.89	4.24	-36.43
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898420	1	36	-1.0	-40.69	327.93	4.24	-36.45
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSC(Cl)=C1Cl	REAL300019898421	0	27	-1.0	-33.95	298.56	6.02	-27.93
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSC(Cl)=C1Cl	REAL300019898421	1	27	-1.0	-33.87	299.57	6.04	-27.83
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019898422	0	42	-1.0	-41.47	367.95	5.39	-36.08
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019898422	1	42	-1.0	-41.45	368.00	5.41	-36.04
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898423	0	40	-1.0	-36.05	345.69	6.31	-29.74
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898423	1	40	-1.0	-36.01	345.73	6.30	-29.71
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019898424	0	37	-1.0	-37.85	344.66	7.19	-30.66
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019898424	1	37	-1.0	-37.86	344.62	7.18	-30.68
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CN1	REAL300019898425	0	31	-1.0	-38.77	286.39	4.40	-34.37
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CN1	REAL300019898425	1	31	-1.0	-38.72	287.40	4.43	-34.29
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC=C1Br	REAL300019898426	0	28	-1.0	-38.74	283.96	4.46	-34.28
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNC=C1Br	REAL300019898426	1	28	-1.0	-38.74	284.00	4.46	-34.28
CCC1=C(C)SC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898427	0	36	-1.0	-37.06	327.01	7.08	-29.98
CCC1=C(C)SC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898427	1	36	-1.0	-36.99	327.05	7.08	-29.91
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC(OC(F)(F)F)C1	REAL300019898428	0	34	-1.0	-35.77	321.83	4.52	-31.25
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC(OC(F)(F)F)C1	REAL300019898428	1	34	-1.0	-35.71	321.87	4.54	-31.17
CS(=O)(=O)C1=COC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898429	0	33	-1.0	-44.51	325.51	1.46	-43.05
CS(=O)(=O)C1=COC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898429	1	33	-1.0	-44.45	325.55	1.46	-42.99
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898430	0	41	-1.0	-37.86	356.56	6.75	-31.11
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898430	1	41	-1.0	-37.79	356.61	6.76	-31.03
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898431	0	41	-1.0	-37.54	356.56	6.75	-30.79
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898431	1	41	-1.0	-37.49	356.60	6.76	-30.73
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300019898432	0	39	-1.0	-37.38	353.06	7.67	-29.71
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300019898432	1	39	-1.0	-37.43	353.02	7.67	-29.76
CC1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1Br	REAL300019898433	0	32	-1.0	-38.38	315.15	5.39	-32.99
CC1=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1Br	REAL300019898433	1	32	-1.0	-38.40	315.19	5.39	-33.01
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCOC(=O)CC1	REAL300019898434	0	36	-1.0	-37.18	311.64	5.38	-31.80
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCOC(=O)CC1	REAL300019898434	1	36	-1.0	-37.15	311.69	5.39	-31.76
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2SCCC(=O)C2=C1	REAL300019898435	0	37	-1.0	-39.51	341.69	7.26	-32.25
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL300019898435	1	37	-1.0	-39.48	341.74	7.27	-32.21
O=C(CCCCCF)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898436	0	35	-1.0	-35.91	313.95	6.15	-29.76
O=C(CCCCCF)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898436	1	35	-1.0	-35.89	313.98	6.16	-29.73
CCN1N=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1C	REAL300019898437	0	35	-1.0	-45.72	315.75	3.64	-42.08
CCN1N=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1C	REAL300019898437	1	35	-1.0	-45.70	315.79	3.65	-42.05
CCC1=CC=C(N2C=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)N=N2)C=C1	REAL300019898438	0	42	-1.0	-44.46	378.46	7.14	-37.32
CCC1=CC=C(N2C=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)N=N2)C=C1	REAL300019898438	1	42	-1.0	-44.54	378.41	7.13	-37.41
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019898439	0	35	-2.0	-75.02	341.25	4.60	-70.42
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019898439	1	35	-2.0	-75.00	341.30	4.61	-70.39
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC(=O)CO1	REAL300019898440	0	30	-1.0	-36.37	281.94	3.21	-33.16
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC(=O)CO1	REAL300019898440	1	30	-1.0	-36.34	281.99	3.21	-33.13
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CN(C)C1=O	REAL300019898441	0	36	-1.0	-39.37	322.67	5.45	-33.92
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CN(C)C1=O	REAL300019898441	1	36	-1.0	-39.36	322.71	5.46	-33.90
O=C(CC1CCCC(F)(F)C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898442	0	39	-1.0	-37.30	333.81	7.06	-30.24
O=C(CC1CCCC(F)(F)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898442	1	39	-1.0	-37.29	333.86	7.08	-30.21
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898443	0	51	-1.0	-36.65	416.38	10.70	-25.95
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898443	1	51	-1.0	-36.63	416.42	10.70	-25.93
CC1=NN=NN1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898444	0	31	-1.0	-38.15	292.70	3.06	-35.09
CC1=NN=NN1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898444	1	31	-1.0	-38.20	292.74	3.06	-35.14
O=C(CC1CC(C(F)F)C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898445	0	36	-1.0	-35.47	324.59	6.65	-28.82
O=C(CC1CC(C(F)F)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898445	1	36	-1.0	-35.44	324.63	6.65	-28.79
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898446	0	41	-1.0	-33.63	360.89	7.77	-25.86
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898446	1	41	-1.0	-33.58	360.93	7.78	-25.80
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898447	0	38	-1.0	-37.32	353.30	6.10	-31.22
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898447	1	38	-1.0	-36.06	352.74	6.09	-29.97
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C21	REAL300019898448	0	45	-1.0	-40.64	375.56	8.39	-32.25
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C21	REAL300019898448	1	45	-1.0	-40.58	375.61	8.40	-32.18
CC1=CC(Cl)=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019898449	0	30	-1.0	-36.45	305.90	6.30	-30.15
CC1=CC(Cl)=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019898449	1	30	-1.0	-36.46	305.94	6.31	-30.15
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC(=O)N(C2CC2)C1	REAL300019898450	0	41	-1.0	-37.09	349.13	5.65	-31.44
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC(=O)N(C2CC2)C1	REAL300019898450	1	41	-1.0	-37.02	349.16	5.65	-31.37
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898451	0	46	-1.0	-37.34	385.86	5.48	-31.86
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898451	1	46	-1.0	-37.33	385.90	5.48	-31.85
CN1N=NC=C1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898452	0	32	-1.0	-39.59	296.21	2.96	-36.63
CN1N=NC=C1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898452	1	32	-1.0	-39.61	296.26	2.97	-36.64
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300019898453	0	43	-1.0	-38.60	374.26	7.15	-31.45
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O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@]12C[C@H]1[C@H](F)C2	REAL300019898454	1	31	-1.0	-35.96	288.44	5.74	-30.22
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N#CC1=CN=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898455	1	30	-1.0	-34.64	307.83	4.90	-29.74
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CCC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1Cl	REAL300019898457	0	36	-1.0	-34.65	332.67	7.76	-26.89
CCC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1Cl	REAL300019898457	1	36	-1.0	-34.67	332.71	7.77	-26.90
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O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(Cl)C2=NC=CC=C2S1	REAL300019898459	1	32	-1.0	-40.28	325.46	6.04	-34.24
N#CC1=CC=C(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(F)=C1	REAL300019898460	0	37	-1.0	-39.08	349.54	7.86	-31.22
N#CC1=CC=C(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(F)=C1	REAL300019898460	1	37	-1.0	-39.08	349.59	7.86	-31.22
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=C(F)C=N1	REAL300019898461	0	28	-1.0	-38.53	277.52	3.54	-34.99
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=C(F)C=N1	REAL300019898461	1	28	-1.0	-38.57	277.48	3.54	-35.03
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O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300019898462	1	36	-1.0	-38.80	333.50	3.31	-35.49
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2CCCCC2=C1	REAL300019898463	0	39	-1.0	-38.28	335.21	6.63	-31.65
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2CCCCC2=C1	REAL300019898463	1	39	-1.0	-38.29	335.26	6.65	-31.64
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898464	0	38	-1.0	-43.40	340.62	8.04	-35.36
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898464	1	38	-1.0	-43.26	339.75	8.02	-35.24
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC1C1=CC=CC=C1Cl	REAL300019898465	0	40	-1.0	-33.28	352.39	8.55	-24.73
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC1C1=CC=CC=C1Cl	REAL300019898465	1	40	-1.0	-33.30	352.46	8.58	-24.72
COCCN1C=CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C21	REAL300019898466	0	44	-1.0	-40.48	387.47	7.71	-32.77
COCCN1C=CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C21	REAL300019898466	1	44	-1.0	-40.52	387.51	7.71	-32.81
CC(C)N1C=CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C21	REAL300019898467	0	43	-1.0	-40.10	371.82	9.12	-30.98
CC(C)N1C=CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C21	REAL300019898467	1	43	-1.0	-40.08	371.87	9.12	-30.96
O=C(C=CC1=CC=C2OCOC2=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898468	0	37	-1.0	-37.82	337.78	5.83	-31.99
O=C(C=CC1=CC=C2OCOC2=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898468	1	37	-1.0	-37.80	337.82	5.84	-31.96
CC1(C)COCCC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898469	0	40	-1.0	-34.07	322.50	4.85	-29.22
CC1(C)COCCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898469	1	40	-1.0	-34.04	322.55	4.85	-29.19
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=NN=CN21	REAL300019898470	0	32	-1.0	-44.25	295.78	6.92	-37.33
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=NN=CN21	REAL300019898470	1	32	-1.0	-44.30	295.85	6.91	-37.39
C=CCOCC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(C)(C)C	REAL300019898471	0	46	-1.0	-34.65	376.87	7.09	-27.56
C=CCOCC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(C)(C)C	REAL300019898471	1	46	-1.0	-34.59	376.92	7.09	-27.50
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C2	REAL300019898472	0	42	-1.0	-48.06	351.08	2.63	-45.43
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C2	REAL300019898472	1	42	-1.0	-48.02	351.15	2.64	-45.38
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898473	0	33	-1.0	-36.61	311.81	4.76	-31.85
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898473	1	33	-1.0	-36.65	311.67	4.76	-31.89
CC1=NN(C2CCC2)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898474	0	40	-1.0	-36.04	347.95	6.50	-29.54
CC1=NN(C2CCC2)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898474	1	40	-1.0	-36.07	347.99	6.51	-29.56
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NN1CCC(F)(F)F	REAL300019898475	0	36	-1.0	-34.79	341.41	5.73	-29.06
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NN1CCC(F)(F)F	REAL300019898475	1	36	-1.0	-34.08	339.76	5.70	-28.38
CC1(C)CCCOC1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898476	0	43	-1.0	-36.98	345.53	6.28	-30.70
CC1(C)CCCOC1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898476	1	43	-1.0	-36.94	345.58	6.29	-30.65
O=C(C=CC1=CC=C(Cl)C=C1F)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898477	0	34	-1.0	-35.29	333.97	7.71	-27.58
O=C(C=CC1=CC=C(Cl)C=C1F)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898477	1	34	-1.0	-35.28	334.01	7.72	-27.56
CC(=O)NC(COC(C)C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898478	0	43	-1.0	-42.19	369.66	3.86	-38.33
CC(=O)NC(COC(C)C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898478	1	43	-1.0	-42.15	369.70	3.86	-38.29
CC1(C)OCC(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019898479	0	41	-1.0	-37.30	354.60	4.83	-32.47
CC1(C)OCC(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019898479	1	41	-1.0	-37.28	354.65	4.84	-32.44
CCCCOC1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019898480	0	47	-1.0	-37.00	406.01	8.97	-28.03
CCCCOC1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019898480	1	47	-1.0	-37.00	406.05	8.98	-28.02
CC1=NN(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=N1	REAL300019898481	0	31	-1.0	-38.85	295.15	2.71	-36.14
CC1=NN(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=N1	REAL300019898481	1	31	-1.0	-38.85	295.19	2.71	-36.14
COC1=CC2=CC=C(CC(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2C=C1	REAL300019898482	0	43	-1.0	-38.34	378.31	8.21	-30.13
COC1=CC2=CC=C(CC(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2C=C1	REAL300019898482	1	43	-1.0	-38.31	378.35	8.23	-30.08
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898483	0	48	-1.0	-36.32	392.32	10.25	-26.07
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898483	1	48	-1.0	-36.37	392.37	10.27	-26.10
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2C=COC2=C1	REAL300019898484	0	33	-1.0	-38.35	304.40	6.32	-32.03
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2C=COC2=C1	REAL300019898484	1	33	-1.0	-38.34	304.44	6.32	-32.02
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300019898485	0	36	-1.0	-36.32	339.32	6.63	-29.69
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300019898485	1	36	-1.0	-36.31	339.36	6.64	-29.67
C#CC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898486	0	32	-1.0	-37.54	304.48	7.17	-30.37
C#CC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898486	1	32	-1.0	-37.48	304.53	7.17	-30.31
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=C(F)C2=CC=CC=C21	REAL300019898487	0	35	-1.0	-39.67	321.10	6.56	-33.11
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=C(F)C2=CC=CC=C21	REAL300019898487	1	35	-1.0	-39.97	322.10	6.58	-33.39
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019898488	0	39	-1.0	-39.78	362.34	6.01	-33.77
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019898488	1	39	-1.0	-39.76	362.39	6.01	-33.75
CC1=C(C)NC(=O)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898489	0	36	-1.0	-53.06	318.18	4.36	-48.70
CC1=C(C)NC(=O)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898489	1	36	-1.0	-53.04	318.24	4.36	-48.68
CCN1N=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C	REAL300019898490	0	36	-1.0	-44.34	325.81	5.15	-39.19
CCN1N=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C	REAL300019898490	1	36	-1.0	-44.34	325.85	5.14	-39.20
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898491	0	39	-1.0	-34.88	357.66	8.15	-26.73
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898491	1	39	-1.0	-34.88	357.71	8.15	-26.73
CC(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300019898492	0	39	-1.0	-35.95	349.38	8.00	-27.95
CC(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300019898492	1	39	-1.0	-35.92	349.42	8.00	-27.92
CCCN1C=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898493	0	37	-1.0	-39.21	326.77	7.07	-32.14
CCCN1C=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898493	1	37	-1.0	-39.23	326.86	7.04	-32.19
CC(C)(C)N1C=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019898494	0	42	-1.0	-39.20	364.64	6.45	-32.75
CC(C)(C)N1C=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019898494	1	42	-1.0	-39.26	364.59	6.45	-32.81
O=C(CC1CC2CC2C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898495	0	37	-1.0	-34.70	314.74	6.99	-27.71
O=C(CC1CC2CC2C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898495	1	37	-1.0	-34.70	314.79	7.00	-27.70
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019898496	0	37	-1.0	-47.92	340.59	6.10	-41.82
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019898496	1	37	-1.0	-47.95	340.64	6.10	-41.85
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019898497	0	30	-2.0	-86.70	306.04	6.00	-80.70
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019898497	1	30	-2.0	-86.67	306.08	6.00	-80.67
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019898498	0	40	-1.0	-40.42	355.84	7.04	-33.38
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019898498	1	40	-1.0	-40.41	355.88	7.04	-33.37
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898499	0	42	-1.0	-43.39	376.16	4.40	-38.99
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898499	1	42	-1.0	-43.32	376.21	4.41	-38.91
CC1=NNC2=C1CC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)CC2	REAL300019898500	0	40	-1.0	-36.68	342.14	5.28	-31.40
CC1=NNC2=C1CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CC2	REAL300019898500	1	40	-1.0	-36.65	342.18	5.28	-31.37
CC1=C2CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)CCC2=NN1	REAL300019898500	1	40	-1.0	-37.49	341.69	5.29	-32.20
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898501	0	41	-1.0	-39.06	362.68	5.85	-33.21
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898501	1	41	-1.0	-39.11	362.73	5.85	-33.26
CSC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019898502	0	36	-1.0	-34.50	340.97	7.52	-26.98
CSC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019898502	1	36	-1.0	-34.45	341.01	7.52	-26.93
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CCCOC1	REAL300019898503	0	32	-1.0	-37.00	285.50	3.83	-33.17
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CCCOC1	REAL300019898503	1	32	-1.0	-36.99	285.55	3.83	-33.16
NS(=O)(=O)C1=COC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898504	0	32	-1.0	-42.57	318.90	-1.11	-43.68
NS(=O)(=O)C1=COC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898504	1	32	-1.0	-42.49	318.94	-1.11	-43.60
N#CC1=CC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=NN2C=C1	REAL300019898505	0	34	-1.0	-41.40	326.71	6.14	-35.26
N#CC1=CC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=NN2C=C1	REAL300019898505	1	34	-1.0	-41.46	326.67	6.14	-35.32
CCC1=NON=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898506	0	31	-1.0	-36.05	293.09	3.96	-32.09
CCC1=NON=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898506	1	31	-1.0	-36.03	293.13	3.97	-32.06
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898507	0	44	-1.0	-40.34	381.92	4.77	-35.57
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898507	1	44	-1.0	-40.43	380.93	4.75	-35.68
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN2N=NC=C2C=C1	REAL300019898508	0	32	-1.0	-35.75	300.05	4.48	-31.27
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN2N=NC=C2C=C1	REAL300019898508	1	32	-1.0	-35.82	299.04	4.46	-31.36
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)[C@H](C)O1	REAL300019898509	0	41	-1.0	-42.16	356.01	3.93	-38.23
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)[C@H](C)O1	REAL300019898509	1	41	-1.0	-42.13	356.05	3.92	-38.21
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(CCO)N=N1	REAL300019898510	0	33	-1.0	-44.55	312.34	-0.17	-44.72
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(CCO)N=N1	REAL300019898510	1	33	-1.0	-44.57	312.30	-0.18	-44.75
O=C(CCNC1=CN=CN=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898511	0	36	-1.0	-36.93	327.82	3.65	-33.28
O=C(CCNC1=CN=CN=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898511	1	36	-1.0	-36.95	327.78	3.64	-33.31
O=C(CC1CC2(CCC2)C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898512	0	40	-1.0	-34.72	339.62	7.59	-27.13
O=C(CC1CC2(CCC2)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898512	1	40	-1.0	-34.75	339.66	7.60	-27.15
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC(F)(F)CC1	REAL300019898513	0	39	-1.0	-37.70	322.07	6.72	-30.98
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC(F)(F)CC1	REAL300019898513	1	39	-1.0	-37.73	322.11	6.72	-31.01
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898514	0	37	-1.0	-37.32	331.13	5.10	-32.22
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898514	1	37	-1.0	-37.28	331.18	5.11	-32.17
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NOC(CF)=C1	REAL300019898515	0	29	-1.0	-41.49	285.45	4.23	-37.26
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NOC(CF)=C1	REAL300019898515	1	29	-1.0	-41.42	285.50	4.23	-37.19
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019898516	0	38	-1.0	-40.22	349.47	7.38	-32.84
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019898516	1	38	-1.0	-40.27	349.51	7.38	-32.89
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019898517	0	37	-1.0	-38.18	339.67	8.23	-29.95
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019898517	1	37	-1.0	-38.17	339.72	8.23	-29.94
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC2=CC=NN2C1	REAL300019898518	0	37	-1.0	-38.05	323.43	5.23	-32.82
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2=CC=NN2C1	REAL300019898518	1	37	-1.0	-38.04	323.47	5.24	-32.80
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2C=NSC2=CC=C1	REAL300019898519	0	32	-1.0	-35.35	305.90	6.04	-29.31
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2C=NSC2=CC=C1	REAL300019898519	1	32	-1.0	-35.36	305.86	6.04	-29.32
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=NON=C21	REAL300019898520	0	31	-1.0	-38.36	293.54	4.82	-33.54
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=NON=C21	REAL300019898520	1	31	-1.0	-38.40	293.49	4.81	-33.59
CN1C=C(OCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019898521	0	34	-1.0	-39.70	316.63	4.25	-35.45
CN1C=C(OCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019898521	1	34	-1.0	-39.73	316.58	4.24	-35.49
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC(C2CC2)=NC=C1Cl	REAL300019898522	0	35	-1.0	-38.41	335.55	6.24	-32.17
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC(C2CC2)=NC=C1Cl	REAL300019898522	1	35	-1.0	-38.33	334.59	6.21	-32.12
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2C=C1	REAL300019898523	0	44	-1.0	-39.99	375.23	8.63	-31.36
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2C=C1	REAL300019898523	1	44	-1.0	-39.94	375.28	8.64	-31.30
C#CC1=CC=C(C2CC2C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019898524	0	39	-1.0	-38.18	349.99	9.13	-29.05
C#CC1=CC=C(C2CC2C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019898524	1	39	-1.0	-38.13	350.03	9.14	-28.99
CN1N=CC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300019898525	0	42	-1.0	-35.53	368.91	7.07	-28.46
CN1N=CC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300019898525	1	42	-1.0	-35.50	368.95	7.08	-28.42
CCC1=NOC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898526	0	32	-1.0	-38.09	300.36	4.74	-33.35
CCC1=NOC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898526	1	32	-1.0	-38.04	300.40	4.75	-33.29
O=C(C=CC1=CC=NC=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898527	0	33	-1.0	-36.83	306.79	5.41	-31.42
O=C(C=CC1=CC=NC=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898527	1	33	-1.0	-36.81	306.83	5.41	-31.40
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2C(=O)NCCN2N=C1	REAL300019898528	0	35	-1.0	-46.48	316.29	2.57	-43.91
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2C(=O)NCCN2N=C1	REAL300019898528	1	35	-1.0	-46.48	316.25	2.57	-43.91
CC=CC1=CC=C(OCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(OC)=C1	REAL300019898529	0	45	-1.0	-40.08	392.78	8.17	-31.91
CC=CC1=CC=C(OCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(OC)=C1	REAL300019898529	1	45	-1.0	-40.07	392.82	8.17	-31.90
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC(=O)CC12CCC2	REAL300019898530	0	39	-1.0	-34.80	330.94	6.48	-28.32
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC(=O)CC12CCC2	REAL300019898530	1	39	-1.0	-34.79	330.98	6.48	-28.31
CC1=CNC2=NC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C12	REAL300019898531	0	36	-1.0	-40.94	325.51	5.92	-35.02
CC1=CNC2=NC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C12	REAL300019898531	1	36	-1.0	-41.12	326.52	5.93	-35.19
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019898532	0	37	-1.0	-35.88	339.86	4.68	-31.20
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019898532	1	37	-1.0	-35.82	339.91	4.68	-31.14
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019898533	0	47	-1.0	-36.09	390.66	8.68	-27.41
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019898533	1	47	-1.0	-36.05	390.71	8.68	-27.37
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2)O1	REAL300019898534	0	41	-1.0	-45.27	373.12	3.38	-41.89
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2)O1	REAL300019898534	1	41	-1.0	-45.24	373.17	3.38	-41.86
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC2=CC=CN=C2C1	REAL300019898535	0	36	-1.0	-37.58	319.00	5.92	-31.66
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC2=CC=CN=C2C1	REAL300019898535	1	36	-1.0	-37.52	319.05	5.92	-31.60
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC(C2CC2)=NO1	REAL300019898536	0	35	-1.0	-38.78	318.48	5.82	-32.96
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC(C2CC2)=NO1	REAL300019898536	1	35	-1.0	-38.76	318.53	5.82	-32.94
CC1=CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL300019898537	0	38	-1.0	-41.98	347.16	7.11	-34.87
CC1=CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL300019898537	1	38	-1.0	-41.98	347.11	7.09	-34.89
CN1C=C(C2=NC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CO2)C=N1	REAL300019898538	0	36	-1.0	-47.03	342.24	2.16	-44.87
CN1C=C(C2=NC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CO2)C=N1	REAL300019898538	1	36	-1.0	-47.10	342.20	2.14	-44.96
COC1=C2C=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)NC2=C(C)C=C1	REAL300019898539	0	41	-1.0	-38.16	362.66	5.88	-32.28
COC1=C2C=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)NC2=C(C)C=C1	REAL300019898539	1	41	-1.0	-38.16	362.71	5.89	-32.27
CCCCOC1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019898540	0	46	-1.0	-36.19	396.21	8.45	-27.74
CCCCOC1=CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019898540	1	46	-1.0	-36.18	396.25	8.45	-27.73
COC1=NC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2C=C1	REAL300019898541	0	39	-1.0	-39.02	350.50	4.86	-34.16
COC1=NC2=CC=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2C=C1	REAL300019898541	1	39	-1.0	-39.01	350.45	4.86	-34.15
CC1=CN2C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CN=C2S1	REAL300019898542	0	33	-1.0	-37.14	315.39	6.46	-30.68
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=C(Cl)S1	REAL300019898543	0	27	-1.0	-32.27	303.42	6.10	-26.17
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=C(Cl)S1	REAL300019898543	1	27	-1.0	-32.23	303.46	6.10	-26.13
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898544	0	41	-1.0	-40.71	352.29	6.61	-34.10
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898544	1	41	-1.0	-40.79	352.25	6.60	-34.19
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1COC(=O)O1	REAL300019898545	0	28	-1.0	-37.07	270.46	3.98	-33.09
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1COC(=O)O1	REAL300019898545	1	28	-1.0	-37.04	270.50	3.98	-33.06
CC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCOC1	REAL300019898546	0	37	-1.0	-34.77	313.62	4.23	-30.54
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCOC1	REAL300019898546	1	37	-1.0	-34.81	313.67	4.24	-30.57
COC1CC2(C1)CCC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)CC2	REAL300019898547	0	47	-1.0	-35.14	380.52	6.83	-28.31
COC1CC2(C1)CCC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CC2	REAL300019898547	1	47	-1.0	-35.12	380.56	6.83	-28.29
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898548	0	48	-1.0	-36.78	399.76	10.07	-26.71
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898548	1	48	-1.0	-36.76	399.81	10.07	-26.69
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019898549	0	51	-1.0	-34.25	386.28	8.69	-25.56
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019898549	1	51	-1.0	-34.23	386.31	8.69	-25.54
CC1=CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CN=C2C=C1	REAL300019898550	0	38	-1.0	-39.82	340.91	7.02	-32.80
CC1=CC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CN=C2C=C1	REAL300019898550	1	38	-1.0	-39.67	339.91	7.00	-32.67
CN1C=C(C2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=NO2)N=N1	REAL300019898551	0	35	-1.0	-44.63	335.80	3.60	-41.03
CN1C=C(C2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=NO2)N=N1	REAL300019898551	1	35	-1.0	-44.59	335.85	3.60	-40.99
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300019898552	0	34	-1.0	-35.03	295.72	6.20	-28.83
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300019898552	1	34	-1.0	-35.03	295.76	6.21	-28.82
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1COC2COCC21	REAL300019898553	0	36	-1.0	-34.28	310.79	2.33	-31.95
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1COC2COCC21	REAL300019898553	1	36	-1.0	-34.34	310.84	2.33	-32.01
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC2(CC(=O)C2)CC1	REAL300019898554	0	42	-1.0	-38.30	350.59	6.99	-31.31
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2(CC(=O)C2)CC1	REAL300019898554	1	42	-1.0	-38.29	350.63	6.99	-31.30
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2OCCC(=O)C2=C1	REAL300019898555	0	37	-1.0	-39.96	333.19	5.73	-34.23
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL300019898555	1	37	-1.0	-39.98	333.24	5.73	-34.25
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898556	0	45	-1.0	-36.35	378.27	9.31	-27.04
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898556	1	45	-1.0	-36.35	378.32	9.31	-27.04
COC1(C(F)(F)C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CCCC1	REAL300019898557	0	40	-1.0	-36.27	335.99	6.22	-30.05
COC1(C(F)(F)C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CCCC1	REAL300019898557	1	40	-1.0	-36.19	336.05	6.22	-29.97
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898558	0	44	-1.0	-36.85	376.96	7.54	-29.31
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898558	1	44	-1.0	-36.89	377.01	7.54	-29.35
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC12CCC(F)(F)CC2	REAL300019898559	0	40	-1.0	-35.47	345.12	7.58	-27.89
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC12CCC(F)(F)CC2	REAL300019898559	1	40	-1.0	-35.43	345.17	7.59	-27.84
CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=C1Br	REAL300019898560	0	32	-1.0	-42.50	315.17	5.34	-37.16
CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=C1Br	REAL300019898560	1	32	-1.0	-42.58	315.13	5.34	-37.24
CN(C)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019898561	0	40	-1.0	-34.59	357.92	7.26	-27.33
CN(C)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019898561	1	40	-1.0	-34.52	358.93	7.28	-27.24
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019898562	0	34	-1.0	-38.03	325.01	5.84	-32.19
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019898562	1	34	-1.0	-38.05	324.97	5.83	-32.22
CC1CCOC1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898563	0	37	-1.0	-36.62	318.48	5.13	-31.49
CC1CCOC1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898563	1	37	-1.0	-36.63	318.52	5.14	-31.49
COC(=O)C1=CSC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898564	0	33	-1.0	-37.51	326.27	5.64	-31.87
COC(=O)C1=CSC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898564	1	33	-1.0	-37.47	326.31	5.65	-31.82
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898565	0	41	-1.0	-37.05	348.77	6.49	-30.56
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898565	1	41	-1.0	-37.08	348.73	6.47	-30.61
COC1CC(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1(C)C	REAL300019898566	0	43	-1.0	-35.67	359.04	5.80	-29.87
COC1CC(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1(C)C	REAL300019898566	1	43	-1.0	-35.62	359.08	5.80	-29.82
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=NN21	REAL300019898567	0	44	-1.0	-46.57	375.44	7.39	-39.18
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=NN21	REAL300019898567	1	44	-1.0	-46.60	375.40	7.39	-39.21
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC2(CC2(F)F)C1	REAL300019898568	0	37	-1.0	-36.34	330.62	7.05	-29.29
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2(CC2(F)F)C1	REAL300019898568	1	37	-1.0	-36.32	330.65	7.05	-29.27
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC2C1C2(F)F	REAL300019898569	0	37	-1.0	-35.07	319.92	6.91	-28.16
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC2C1C2(F)F	REAL300019898569	1	37	-1.0	-35.04	319.96	6.92	-28.12
C=C1CC2(C1)CC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C2	REAL300019898570	0	38	-1.0	-34.62	330.92	7.32	-27.30
C=C1CC2(C1)CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C2	REAL300019898570	1	38	-1.0	-34.57	330.97	7.32	-27.25
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898571	0	41	-1.0	-38.17	353.97	7.48	-30.69
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898571	1	41	-1.0	-38.13	354.02	7.48	-30.65
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300019898572	0	36	-1.0	-41.83	336.52	4.87	-36.96
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300019898572	1	36	-1.0	-41.79	336.56	4.88	-36.91
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898573	0	41	-1.0	-41.07	351.55	5.22	-35.85
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898573	1	41	-1.0	-41.10	351.60	5.22	-35.88
CCC1=CC=C(C(=O)C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019898574	0	35	-1.0	-39.70	333.70	6.46	-33.24
CCC1=CC=C(C(=O)C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019898574	1	35	-1.0	-39.51	332.73	6.44	-33.07
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NNC(C2CCCC2)=C1	REAL300019898575	0	40	-1.0	-40.44	346.62	5.65	-34.79
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NNC(C2CCCC2)=C1	REAL300019898575	1	40	-1.0	-40.45	346.66	5.65	-34.80
CC1(C)OC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300019898576	0	42	-1.0	-36.59	367.59	4.53	-32.06
CC1(C)OC2=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300019898576	1	42	-1.0	-36.59	367.63	4.54	-32.05
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCC(=O)N2	REAL300019898577	0	38	-1.0	-37.38	332.28	5.14	-32.24
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL300019898577	1	38	-1.0	-37.37	332.33	5.15	-32.22
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC2=C1CCNC2=O	REAL300019898578	0	37	-1.0	-38.66	327.58	2.65	-36.01
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC2=C1CCNC2=O	REAL300019898578	1	37	-1.0	-38.68	327.61	2.65	-36.03
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=NC=C1C(F)F	REAL300019898579	0	35	-1.0	-40.92	322.56	5.59	-35.33
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=NC=C1C(F)F	REAL300019898579	1	35	-1.0	-41.92	325.11	5.65	-36.27
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)S1	REAL300019898580	0	38	-1.0	-41.30	346.77	4.24	-37.06
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL300019898580	1	38	-1.0	-40.02	347.79	4.27	-35.75
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898581	0	39	-1.0	-41.19	342.85	3.94	-37.25
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898581	1	39	-1.0	-41.20	342.80	3.92	-37.28
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC2C1C2(F)F	REAL300019898582	0	34	-1.0	-36.46	308.09	6.40	-30.06
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2C1C2(F)F	REAL300019898582	1	34	-1.0	-36.47	308.13	6.40	-30.07
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019898583	0	34	-1.0	-47.20	332.89	5.18	-42.02
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019898583	1	34	-1.0	-47.22	332.85	5.17	-42.05
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898584	0	41	-1.0	-40.07	359.64	6.83	-33.24
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898584	1	41	-1.0	-40.06	359.68	6.83	-33.23
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898585	0	33	-1.0	-35.34	320.31	5.03	-30.31
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898585	1	33	-1.0	-35.32	320.35	5.04	-30.28
CCC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300019898586	0	39	-1.0	-37.24	352.87	7.75	-29.49
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC(C2CCCO2)O1	REAL300019898587	0	42	-1.0	-36.06	355.81	5.18	-30.88
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC(C2CCCO2)O1	REAL300019898587	1	42	-1.0	-36.04	355.86	5.19	-30.85
CC1=CC(F)=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019898588	0	35	-1.0	-41.77	326.62	7.24	-34.53
CC1=CC(F)=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019898588	1	35	-1.0	-41.78	326.67	7.25	-34.53
CN1N=NC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=CC=C21	REAL300019898589	0	35	-1.0	-46.93	320.05	4.62	-42.31
CN1N=NC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=CC=C21	REAL300019898589	1	35	-1.0	-46.94	320.01	4.61	-42.33
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2OCCCC2=C1	REAL300019898590	0	37	-1.0	-40.48	326.03	3.51	-36.97
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2OCCCC2=C1	REAL300019898590	1	37	-1.0	-40.51	325.99	3.50	-37.01
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019898591	0	35	-1.0	-38.72	332.13	5.23	-33.49
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019898591	1	35	-1.0	-38.55	331.13	5.21	-33.34
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL300019898592	0	39	-1.0	-36.18	355.10	8.35	-27.83
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300019898592	1	39	-1.0	-36.16	355.15	8.36	-27.80
CC1=CC2=C(C=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)S2)S1	REAL300019898593	0	33	-1.0	-37.69	328.35	7.26	-30.43
CC1=CC2=C(C=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)S2)S1	REAL300019898593	1	33	-1.0	-37.66	328.40	7.27	-30.39
O=C(CC12CCC(CC1)C2)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898594	0	40	-1.0	-34.87	326.18	7.24	-27.63
O=C(CC12CCC(CC1)C2)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898594	1	40	-1.0	-34.87	326.22	7.26	-27.61
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC=CC2=CC=CC=C21	REAL300019898595	0	38	-1.0	-36.40	333.00	8.19	-28.21
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC=CC2=CC=CC=C21	REAL300019898595	1	38	-1.0	-36.41	333.04	8.20	-28.21
CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)N1	REAL300019898596	0	31	-1.0	-36.09	286.26	4.33	-31.76
CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)N1	REAL300019898596	1	31	-1.0	-36.12	286.30	4.34	-31.78
CCCOCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898597	0	39	-1.0	-35.97	341.38	5.28	-30.69
CCCOCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898597	1	39	-1.0	-35.96	341.42	5.30	-30.66
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN2C=NN=C2C=N1	REAL300019898598	0	31	-1.0	-41.34	295.36	5.53	-35.81
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN2C=NN=C2C=N1	REAL300019898598	1	31	-1.0	-41.17	296.33	5.56	-35.61
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898599	0	31	-1.0	-42.38	306.79	3.91	-38.47
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898599	1	31	-1.0	-42.37	306.75	3.91	-38.46
CON(CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019898600	0	47	-1.0	-39.97	401.80	6.05	-33.92
CON(CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019898600	1	47	-1.0	-39.92	401.84	6.06	-33.86
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=NC=CC=C12	REAL300019898601	0	35	-1.0	-37.18	312.79	6.33	-30.85
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL300019898601	1	35	-1.0	-37.20	312.75	6.33	-30.87
COC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C(F)C=N1	REAL300019898602	0	35	-1.0	-39.85	332.83	4.91	-34.94
COC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C(F)C=N1	REAL300019898602	1	35	-1.0	-39.94	332.79	4.90	-35.04
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019898603	0	38	-1.0	-42.15	333.57	7.33	-34.82
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019898603	1	38	-1.0	-42.10	333.61	7.33	-34.77
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2SC=CC2=CN=C1	REAL300019898604	0	32	-1.0	-39.67	306.97	5.57	-34.10
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2SC=CC2=CN=C1	REAL300019898604	1	32	-1.0	-39.72	306.93	5.57	-34.15
CC(C)C(C)C(C)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898605	0	44	-1.0	-34.50	347.07	7.17	-27.33
CC(C)C(C)C(C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898605	1	44	-1.0	-34.49	347.12	7.16	-27.33
COC1CC2(C1)CC(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C2	REAL300019898606	0	41	-1.0	-36.60	351.86	5.79	-30.81
COC1CC2(C1)CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C2	REAL300019898606	1	41	-1.0	-36.58	351.91	5.80	-30.78
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898607	0	46	-1.0	-36.88	394.26	8.15	-28.73
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898607	1	46	-1.0	-36.83	394.31	8.16	-28.67
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C[C@@H]12	REAL300019898608	0	35	-1.0	-39.23	315.23	4.65	-34.58
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C[C@@H]12	REAL300019898608	1	35	-1.0	-39.17	315.27	4.65	-34.52
CC1(C)CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CO1	REAL300019898609	0	40	-1.0	-35.40	329.09	4.98	-30.42
CC1(C)CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CO1	REAL300019898609	1	40	-1.0	-35.38	329.13	4.98	-30.40
O=C(CC1CCCNC(=O)C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898610	0	40	-1.0	-44.05	335.08	3.51	-40.54
O=C(CC1CCCNC(=O)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898610	1	40	-1.0	-44.09	335.12	3.51	-40.58
CN1C=NC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=CC=C21	REAL300019898611	0	36	-1.0	-47.54	325.15	7.46	-40.08
CN1C=NC2=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=CC=C21	REAL300019898611	1	36	-1.0	-47.52	326.08	7.46	-40.06
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NNC(C2=CC=CC=N2)=C1	REAL300019898612	0	36	-1.0	-43.74	336.02	4.25	-39.49
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NNC(C2=CC=CC=N2)=C1	REAL300019898612	1	36	-1.0	-43.71	336.06	4.25	-39.46
CC1(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CCCO1	REAL300019898613	0	37	-1.0	-37.95	313.00	5.31	-32.64
CC1(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CCCO1	REAL300019898613	1	37	-1.0	-37.92	313.04	5.31	-32.61
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898614	0	30	-1.0	-36.09	312.37	2.33	-33.76
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898614	1	30	-1.0	-36.12	312.33	2.32	-33.80
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC2=CC=CNC2=C1	REAL300019898615	0	33	-1.0	-60.85	308.17	4.14	-56.71
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC2=CC=CNC2=C1	REAL300019898615	1	33	-1.0	-60.88	308.22	4.14	-56.74
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1C2C3CC1C(=O)C32	REAL300019898616	0	34	-1.0	-37.61	302.27	5.67	-31.94
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1C2C3CC1C(=O)C32	REAL300019898616	1	34	-1.0	-37.57	302.31	5.67	-31.90
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CN2N=NC=C12	REAL300019898617	0	32	-1.0	-47.67	297.65	4.60	-43.07
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CN2N=NC=C12	REAL300019898617	1	32	-1.0	-47.70	297.59	4.60	-43.10
CC(C)(C)OC(=O)N1CCSCC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903202	0	51	-1.0	-51.32	395.79	5.20	-46.12
CC(C)(C)OC(=O)N1CCSCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903202	1	51	-1.0	-51.29	395.85	5.22	-46.07
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1NC(=O)OC(C)(C)C	REAL300019903203	0	50	-1.0	-48.30	382.96	4.13	-44.17
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300019903203	1	50	-1.0	-48.32	383.03	4.12	-44.20
O=C(CC1=CC(Br)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903204	0	33	-1.0	-51.16	305.98	5.32	-45.84
O=C(CC1=CC(Br)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903204	1	33	-1.0	-51.17	306.03	5.35	-45.82
O=C(CC1=CC(Cl)=CC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903205	0	33	-1.0	-49.60	313.68	5.65	-43.95
O=C(CC1=CC(Cl)=CC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903205	1	33	-1.0	-49.61	313.74	5.68	-43.93
O=C(CC1=CC=CC=C1I)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903206	0	33	-1.0	-49.60	302.54	5.57	-44.03
O=C(CC1=CC=CC=C1I)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903206	1	33	-1.0	-49.59	302.59	5.60	-43.99
O=C(CC1=CC(F)=CC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903207	0	33	-1.0	-50.14	303.36	5.21	-44.93
O=C(CC1=CC(F)=CC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903207	1	33	-1.0	-50.15	303.41	5.23	-44.92
CC(C)C1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300019903208	0	38	-1.0	-55.26	325.59	3.22	-52.04
CC(C)C1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300019903208	1	38	-1.0	-55.29	325.64	3.24	-52.05
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1	REAL300019903208	1	38	-1.0	-61.33	328.31	3.36	-57.97
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1	REAL300019903208	1	38	-1.0	-61.33	328.37	3.39	-57.94
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL300019903209	0	49	-1.0	-61.03	399.46	4.56	-56.47
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL300019903209	1	49	-1.0	-61.00	399.52	4.59	-56.41
O=C(CSC1=CC=CC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903210	0	34	-1.0	-53.68	319.07	5.77	-47.91
O=C(CSC1=CC=CC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903210	1	34	-1.0	-53.67	319.13	5.79	-47.88
CC(C)(C)OC(=O)NC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019903211	0	53	-1.0	-56.70	423.81	6.09	-50.61
CC(C)(C)OC(=O)NC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019903211	1	53	-1.0	-56.71	423.87	6.11	-50.60
O=C(C1CCCC2=C1C=CS2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903212	0	37	-1.0	-53.29	307.63	5.21	-48.08
O=C(C1CCCC2=C1C=CS2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903212	1	37	-1.0	-53.27	307.68	5.23	-48.04
CN(C)C(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=C1	REAL300019903213	0	42	-1.0	-48.23	344.88	3.41	-44.82
CN(C)C(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=C1	REAL300019903213	1	42	-1.0	-48.28	344.93	3.42	-44.86
COCCOC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903214	0	44	-1.0	-58.57	364.26	4.17	-54.40
COCCOC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903214	1	44	-1.0	-58.62	364.32	4.19	-54.43
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903215	0	50	-1.0	-65.29	405.55	6.48	-58.81
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903215	1	50	-1.0	-65.31	405.61	6.50	-58.81
CC1=CC=C(C(O)(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)(F)F)O1	REAL300019903216	0	40	-1.0	-47.36	344.69	3.19	-44.17
CC1=CC=C(C(O)(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)(F)F)O1	REAL300019903216	1	40	-1.0	-47.37	344.75	3.23	-44.14
CCCCN1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL300019903217	0	42	-1.0	-52.52	335.25	4.27	-48.25
CCCCN1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL300019903217	1	42	-1.0	-52.55	335.30	4.28	-48.27
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903218	0	33	-1.0	-38.37	303.11	4.65	-33.72
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903218	1	33	-1.0	-38.34	303.18	4.65	-33.69
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300019903219	0	38	-1.0	-58.89	318.73	5.66	-53.23
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300019903219	1	38	-1.0	-58.92	318.78	5.68	-53.24
CC1=NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2C=C1	REAL300019903220	0	38	-1.0	-54.88	314.43	4.53	-50.35
CC1=NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2C=C1	REAL300019903220	1	38	-1.0	-54.91	314.49	4.55	-50.36
CC(C)COC1=CC=CC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903221	0	47	-1.0	-59.77	381.12	6.31	-53.46
CC(C)COC1=CC=CC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903221	1	47	-1.0	-59.80	381.17	6.33	-53.47
O=C(CCCNC(=O)C1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903222	0	42	-1.0	-55.70	352.26	2.18	-53.52
O=C(CCCNC(=O)C1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903222	1	42	-1.0	-55.68	352.21	2.16	-53.52
O=C(C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903223	0	35	-1.0	-48.90	317.60	5.20	-43.70
O=C(C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903223	1	35	-1.0	-48.91	317.65	5.22	-43.69
O=C(C1=CC(Cl)=CC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903224	0	30	-1.0	-48.54	288.73	4.66	-43.88
O=C(C1=CC(Cl)=CC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903224	1	30	-1.0	-48.55	288.79	4.68	-43.87
O=C(C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903225	0	42	-1.0	-52.87	360.48	7.06	-45.81
O=C(C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903225	1	42	-1.0	-52.88	360.42	7.04	-45.84
CC1=C(CCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=C1	REAL300019903226	0	39	-1.0	-53.24	330.92	5.90	-47.34
CC1=C(CCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=C1	REAL300019903226	1	39	-1.0	-53.32	330.98	5.93	-47.39
C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019903227	0	41	-1.0	-60.27	327.41	3.42	-56.85
C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019903227	1	41	-1.0	-60.25	327.46	3.44	-56.81
CC1(C)CCC2=C(C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C(=O)N2)C1	REAL300019903228	0	46	-1.0	-63.03	361.95	4.06	-58.97
CC1(C)CCC2=C(C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C(=O)N2)C1	REAL300019903228	1	46	-1.0	-63.00	362.00	4.08	-58.92
O=C(CC1=CC=CC(OC(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903229	0	37	-1.0	-53.67	325.28	4.46	-49.21
O=C(CC1=CC=CC(OC(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903229	1	37	-1.0	-53.72	325.33	4.49	-49.23
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019903230	0	44	-1.0	-49.76	352.19	3.83	-45.93
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019903230	1	44	-1.0	-49.77	352.25	3.85	-45.92
CC(CSCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903231	0	43	-1.0	-50.86	358.53	7.11	-43.75
CC(CSCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903231	1	43	-1.0	-50.86	358.59	7.13	-43.73
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903232	0	35	-1.0	-71.10	311.42	5.18	-65.92
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903232	1	35	-1.0	-71.09	311.48	5.20	-65.89
CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903233	0	44	-1.0	-51.64	368.69	8.16	-43.48
CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903233	1	44	-1.0	-51.64	368.75	8.19	-43.45
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=NC2=CC=CC=C21	REAL300019903234	0	39	-1.0	-56.96	319.70	5.44	-51.52
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=NC2=CC=CC=C21	REAL300019903234	1	39	-1.0	-56.96	319.76	5.46	-51.50
CC1=NC(Cl)=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903235	0	35	-1.0	-55.13	307.94	3.76	-51.37
CC1=NC(Cl)=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903235	1	35	-1.0	-55.12	308.00	3.78	-51.34
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1C	REAL300019903236	0	46	-1.0	-53.28	367.63	6.85	-46.43
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300019903236	1	46	-1.0	-53.34	367.68	6.87	-46.47
CC1=C(C2CC2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC=C1	REAL300019903237	0	37	-1.0	-54.26	308.85	5.69	-48.57
CC1=C(C2CC2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC=C1	REAL300019903237	1	37	-1.0	-54.21	308.91	5.71	-48.50
O=C(CSCC1=CSC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903238	0	33	-1.0	-56.39	308.30	3.03	-53.36
O=C(CSCC1=CSC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903238	1	33	-1.0	-56.39	308.35	3.06	-53.33
O=C(CC1=CC=C(C(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903239	0	36	-1.0	-55.46	313.41	5.60	-49.86
O=C(CC1=CC=C(C(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903239	1	36	-1.0	-55.51	313.47	5.62	-49.89
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903240	0	46	-1.0	-56.10	383.27	6.26	-49.84
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903240	1	46	-1.0	-56.12	383.32	6.28	-49.84
O=C(C1=NN(C2=CC=C(Cl)C=C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903241	0	36	-1.0	-48.73	327.40	4.34	-44.39
O=C(C1=NN(C2=CC=C(Cl)C=C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903241	1	36	-1.0	-48.70	327.34	4.32	-44.38
COC1=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300019903242	0	46	-1.0	-57.71	369.29	5.27	-52.44
COC1=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300019903242	1	46	-1.0	-57.70	369.35	5.29	-52.41
O=C(CC1=CSC2=NC=CN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903243	0	33	-1.0	-55.22	296.24	4.29	-50.93
O=C(CC1=CSC2=NC=CN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903243	1	33	-1.0	-55.23	296.18	4.27	-50.96
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019903244	0	48	-1.0	-53.99	372.26	3.49	-50.50
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019903244	1	48	-1.0	-53.95	372.32	3.50	-50.45
CN1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL300019903245	0	37	-1.0	-39.67	301.86	1.89	-37.78
CN1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL300019903245	1	37	-1.0	-39.71	301.83	1.91	-37.80
CC1=NN=C2CCC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CN12	REAL300019903246	0	39	-1.0	-53.44	309.88	4.27	-49.17
CC1=NN=C2CCC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CN12	REAL300019903246	1	39	-1.0	-53.43	309.94	4.30	-49.13
CC(C)CC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903247	0	46	-1.0	-53.27	369.40	7.84	-45.43
CC(C)CC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903247	1	46	-1.0	-53.30	369.46	7.86	-45.44
CCSC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903248	0	40	-1.0	-53.94	340.92	6.53	-47.41
CCSC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903248	1	40	-1.0	-53.94	340.97	6.56	-47.38
O=C(CC1=CC=C(Br)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903249	0	33	-1.0	-53.54	306.28	5.33	-48.21
O=C(CC1=CC=C(Br)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903249	1	33	-1.0	-53.52	306.33	5.36	-48.16
O=C(C1=CC=CC(F)=C1I)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903250	0	30	-1.0	-51.91	282.11	4.65	-47.26
O=C(C1=CC=CC(F)=C1I)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903250	1	30	-1.0	-51.91	282.17	4.66	-47.25
CC(C)(C)OC(=O)N1CCOC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019903251	0	51	-1.0	-57.28	396.34	4.19	-53.09
CC(C)(C)OC(=O)N1CCOC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019903251	1	51	-1.0	-57.30	396.40	4.21	-53.09
O=C(C1=CC=C(C2=CC=CO2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903252	0	34	-1.0	-53.87	304.11	4.39	-49.48
O=C(C1=CC=C(C2=CC=CO2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903252	1	34	-1.0	-53.92	304.17	4.42	-49.50
O=C(CCCOC1=CC=C2OCOC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903253	0	43	-1.0	-58.59	356.70	3.71	-54.88
O=C(CCCOC1=CC=C2OCOC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903253	1	43	-1.0	-58.58	356.76	3.73	-54.85
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903254	0	55	-1.0	-55.42	426.88	8.14	-47.28
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903254	1	55	-1.0	-55.43	426.93	8.16	-47.27
O=C(CCCOC1=CC=C2CCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903255	0	47	-1.0	-56.80	376.17	6.97	-49.83
O=C(CCCOC1=CC=C2CCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903255	1	47	-1.0	-56.81	376.22	7.00	-49.81
CC(C)(C)C1CCC(=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019903256	0	49	-1.0	-51.53	357.84	6.76	-44.77
CC(C)(C)C1CCC(=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019903256	1	49	-1.0	-51.52	357.89	6.79	-44.73
COC1=CC=CC(C2=NNC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)=C1	REAL300019903257	0	41	-1.0	-52.21	340.79	3.35	-48.86
COC1=CC=CC(C2=NNC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)=C1	REAL300019903257	1	41	-1.0	-52.22	340.85	3.36	-48.86
CC(C)CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903258	0	48	-1.0	-51.41	381.78	8.16	-43.25
CC(C)CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903258	1	48	-1.0	-51.41	381.84	8.19	-43.22
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019903259	0	41	-1.0	-49.65	358.54	6.76	-42.89
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019903259	1	41	-1.0	-49.65	358.48	6.74	-42.91
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300019903260	0	39	-1.0	-55.36	325.51	5.99	-49.37
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300019903260	1	39	-1.0	-55.44	325.57	6.02	-49.42
O=C(CSCC1=CSC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903261	0	33	-1.0	-56.39	308.30	3.03	-53.36
O=C(CSCC1=CSC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903261	1	33	-1.0	-56.39	308.35	3.06	-53.33
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC(Cl)=CC=C2N1	REAL300019903262	0	37	-1.0	-62.66	329.05	5.00	-57.66
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC(Cl)=CC=C2N1	REAL300019903262	1	37	-1.0	-62.64	329.11	5.02	-57.62
CS(=O)(=O)NC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903263	0	39	-1.0	-57.90	334.68	-1.46	-59.36
CS(=O)(=O)NC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903263	1	39	-1.0	-57.91	334.74	-1.44	-59.35
O=C(C1=CC2=C(C=C1O)CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903264	0	41	-1.0	-45.11	312.76	4.23	-40.88
O=C(C1=CC2=C(C=C1O)CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903264	1	41	-1.0	-45.09	312.81	4.22	-40.87
O=C(C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NC1=CC2=CNN=C2C=C1	REAL300019903265	0	41	-1.0	-57.52	351.69	2.26	-55.26
O=C(C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NC1=CC2=CNN=C2C=C1	REAL300019903265	1	41	-1.0	-57.57	351.74	2.29	-55.28
O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903266	0	32	-1.0	-35.20	295.82	2.86	-32.34
O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903266	1	32	-1.0	-35.18	295.77	2.86	-32.32
O=C(C1=CC=C(CCC(F)(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903267	0	39	-1.0	-54.92	333.22	6.15	-48.77
O=C(C1=CC=C(CCC(F)(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903267	1	39	-1.0	-54.89	333.27	6.18	-48.71
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL300019903268	0	47	-1.0	-62.08	371.73	5.02	-57.06
CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL300019903268	1	47	-1.0	-62.10	371.78	5.04	-57.06
CCC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300019903269	0	46	-1.0	-51.34	363.27	5.86	-45.48
CCC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300019903269	1	46	-1.0	-51.32	363.33	5.88	-45.44
O=C(C1=CC=CC2=C1OC(=O)N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903270	0	33	-1.0	-45.52	276.44	1.07	-44.45
O=C(C1=CC=CC2=C1OC(=O)N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903270	1	33	-1.0	-45.53	276.38	1.05	-44.48
O=C(C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903271	0	36	-1.0	-48.59	346.41	5.78	-42.81
O=C(C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903271	1	36	-1.0	-48.62	346.35	5.75	-42.87
CC(C)(C)C1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019903272	0	51	-1.0	-52.16	367.88	6.92	-45.24
CC(C)(C)C1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019903272	1	51	-1.0	-52.19	367.93	6.95	-45.24
CC1=CC=C(F)C(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903273	0	37	-1.0	-61.53	315.78	5.33	-56.20
CC1=CC=C(F)C(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903273	1	37	-1.0	-61.53	315.84	5.35	-56.18
CC1=CC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=C1Cl	REAL300019903274	0	40	-1.0	-55.24	342.31	6.26	-48.98
CC1=CC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=C1Cl	REAL300019903274	1	40	-1.0	-55.29	342.37	6.28	-49.01
O=C(COC1=CC=C2CCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903275	0	44	-1.0	-57.34	350.90	7.08	-50.26
O=C(COC1=CC=C2CCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903275	1	44	-1.0	-57.38	350.95	7.10	-50.28
O=C(CCCOC1=CC=C2CCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903276	0	50	-1.0	-56.47	393.37	7.55	-48.92
O=C(CCCOC1=CC=C2CCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903276	1	50	-1.0	-56.42	393.42	7.58	-48.84
CN(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL300019903277	0	38	-1.0	-44.68	300.03	3.58	-41.10
CN(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL300019903277	1	38	-1.0	-44.63	300.08	3.59	-41.04
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL300019903278	0	41	-1.0	-58.35	343.16	-0.26	-58.61
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL300019903278	1	41	-1.0	-58.35	343.22	-0.25	-58.60
NC(=O)C1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=C1	REAL300019903279	0	33	-1.0	-56.54	295.78	0.04	-56.50
NC(=O)C1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=C1	REAL300019903279	1	33	-1.0	-56.56	295.72	0.01	-56.55
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC=C(C)C=C21	REAL300019903280	0	40	-1.0	-52.29	323.23	5.44	-46.85
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC=C(C)C=C21	REAL300019903280	1	40	-1.0	-52.32	323.17	5.43	-46.89
COC1=CC=C(C2=NNC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)C=C1	REAL300019903281	0	41	-1.0	-51.28	340.71	3.34	-47.94
COC1=CC=C(C2=NNC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)C=C1	REAL300019903281	1	41	-1.0	-51.29	340.76	3.36	-47.93
O=C(CC1=CNC2=CC(Br)=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903282	0	37	-1.0	-56.97	332.41	5.33	-51.64
O=C(CC1=CNC2=CC(Br)=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903282	1	37	-1.0	-56.99	332.47	5.36	-51.63
O=C(C1=NOC(CN2C=C(Br)C=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903283	0	36	-1.0	-57.72	336.42	3.91	-53.81
O=C(C1=NOC(CN2C=C(Br)C=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903283	1	36	-1.0	-57.71	336.48	3.94	-53.77
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903284	0	36	-1.0	-54.65	332.38	6.54	-48.11
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903284	1	36	-1.0	-54.64	332.43	6.57	-48.07
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903285	0	46	-1.0	-57.14	393.28	3.97	-53.17
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903285	1	46	-1.0	-57.13	393.22	3.95	-53.18
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)S(=O)(=O)C1CCOCC1	REAL300019903286	0	43	-1.0	-74.75	345.54	0.59	-74.16
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)S(=O)(=O)C1CCOCC1	REAL300019903286	1	43	-1.0	-74.73	345.60	0.62	-74.11
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1CCC(C)C	REAL300019903287	0	45	-1.0	-52.22	352.81	4.78	-47.44
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1CCC(C)C	REAL300019903287	1	45	-1.0	-52.21	352.87	4.80	-47.41
O=C(C1=CC(F)=C(F)C=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903288	0	30	-1.0	-36.59	272.37	3.84	-32.75
O=C(C1=CC(F)=C(F)C=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903288	1	30	-1.0	-36.58	272.44	3.85	-32.73
O=C(CCC1=CC=C(F)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903289	0	36	-1.0	-53.04	312.63	5.58	-47.46
O=C(CCC1=CC=C(F)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903289	1	36	-1.0	-53.08	312.69	5.60	-47.48
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903290	0	49	-1.0	-52.28	389.14	6.99	-45.29
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903290	1	49	-1.0	-52.27	389.20	7.01	-45.26
CC(C)C1=CC=CC=C1OCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903291	0	46	-1.0	-52.00	367.80	6.31	-45.69
CC(C)C1=CC=CC=C1OCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903291	1	46	-1.0	-51.99	367.86	6.34	-45.65
CN1N=C2CCCCC2=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903292	0	40	-1.0	-52.65	323.43	3.96	-48.69
CN1N=C2CCCCC2=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903292	1	40	-1.0	-52.65	323.49	3.97	-48.68
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903293	0	35	-1.0	-53.08	313.98	3.48	-49.60
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903293	1	35	-1.0	-53.12	314.04	3.51	-49.61
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903294	0	42	-1.0	-54.38	353.77	3.79	-50.59
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903294	1	42	-1.0	-54.42	353.82	3.80	-50.62
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019903295	0	45	-1.0	-58.27	366.50	2.58	-55.69
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019903295	1	45	-1.0	-58.25	366.56	2.60	-55.65
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019903296	0	44	-1.0	-53.70	352.78	3.24	-50.46
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019903296	1	44	-1.0	-53.68	352.83	3.26	-50.42
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1OC1CCCC1	REAL300019903297	0	48	-1.0	-54.27	375.69	5.74	-48.53
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1OC1CCCC1	REAL300019903297	1	48	-1.0	-54.25	375.75	5.77	-48.48
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903298	0	39	-1.0	-58.11	348.88	5.49	-52.62
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903298	1	39	-1.0	-58.12	348.82	5.47	-52.65
COC1=CC2=NNN=C2C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903299	0	36	-1.0	-54.38	300.28	1.09	-53.29
COC1=CC2=NNN=C2C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903299	1	36	-1.0	-54.37	300.34	1.11	-53.26
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903300	0	36	-1.0	-60.16	338.11	6.19	-53.97
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903300	1	36	-1.0	-60.17	338.16	6.21	-53.96
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903301	0	38	-1.0	-56.29	321.24	3.12	-53.17
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903301	1	38	-1.0	-56.35	321.29	3.14	-53.21
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019903302	0	46	-1.0	-55.33	378.58	3.18	-52.15
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019903302	1	46	-1.0	-55.33	378.64	3.19	-52.14
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903303	0	47	-1.0	-53.38	373.94	7.22	-46.16
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903303	1	47	-1.0	-53.40	373.99	7.21	-46.19
O=C(C1=CN=C(OCC2CC2)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903304	0	40	-1.0	-48.81	347.46	3.32	-45.49
O=C(C1=CN=C(OCC2CC2)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903304	1	40	-1.0	-48.84	347.41	3.29	-45.55
O=C(C1=CSC(CC2=CC=CC(F)=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903305	0	39	-1.0	-53.95	348.42	5.98	-47.97
O=C(C1=CSC(CC2=CC=CC(F)=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903305	1	39	-1.0	-53.96	348.48	6.00	-47.96
CC1=CC=C(C(F)(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903306	0	36	-1.0	-47.79	308.11	5.27	-42.52
CC1=CC=C(C(F)(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903306	1	36	-1.0	-47.78	308.17	5.30	-42.48
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=CC(C#N)=C1	REAL300019903307	0	41	-1.0	-59.22	354.14	6.17	-53.05
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300019903307	1	41	-1.0	-59.23	354.20	6.19	-53.04
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=C1C	REAL300019903308	0	36	-1.0	-54.70	302.01	5.16	-49.54
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=C1C	REAL300019903308	1	36	-1.0	-54.65	302.07	5.18	-49.47
O=C(C1=CC2=NSN=C2C([N+](=O)[O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903309	0	33	-1.0	-39.32	295.68	2.11	-37.21
O=C(C1=CC2=NSN=C2C([N+](=O)[O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903309	1	33	-1.0	-39.31	295.62	2.09	-37.22
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019903310	0	40	-1.0	-54.79	329.61	6.10	-48.69
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019903310	1	40	-1.0	-54.80	329.55	6.08	-48.72
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903311	0	42	-1.0	-59.17	348.73	6.10	-53.07
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903311	1	42	-1.0	-59.13	348.79	6.13	-53.00
O=C(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NCC(F)(F)F	REAL300019903312	0	33	-1.0	-61.14	296.15	2.03	-59.11
O=C(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NCC(F)(F)F	REAL300019903312	1	33	-1.0	-61.10	296.20	2.06	-59.04
O=C(C1=CC=C(C2=CC=CS2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903313	0	34	-1.0	-52.41	313.42	5.48	-46.93
O=C(C1=CC=C(C2=CC=CS2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903313	1	34	-1.0	-52.42	313.48	5.50	-46.92
O=C(C1=CC=C(SC2CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903314	0	38	-1.0	-40.51	315.42	5.63	-34.88
O=C(C1=CC=C(SC2CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903314	1	38	-1.0	-40.54	315.48	5.65	-34.89
O=C(CCC1=CC(F)=CC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903315	0	36	-1.0	-50.96	323.24	5.98	-44.98
O=C(CCC1=CC(F)=CC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903315	1	36	-1.0	-51.00	323.30	6.01	-44.99
O=C(C1=CC2=NNN=C2C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903316	0	32	-1.0	-53.11	277.65	0.89	-52.22
O=C(C1=CC2=NNN=C2C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903316	1	32	-1.0	-53.12	277.70	0.90	-52.22
CC(C)COC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL300019903317	0	42	-1.0	-40.00	351.82	2.67	-37.33
CC(C)COC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL300019903317	1	42	-1.0	-39.93	351.76	2.67	-37.26
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019903318	0	42	-1.0	-50.48	368.85	5.03	-45.45
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019903318	1	42	-1.0	-50.50	368.79	5.02	-45.48
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903319	0	37	-2.0	-88.58	340.83	0.94	-87.64
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903319	1	37	-2.0	-88.61	340.89	0.97	-87.64
CC1=CC(N2CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CC2=O)=CC=C1F	REAL300019903320	0	44	-1.0	-63.94	357.28	5.47	-58.47
CC1=CC(N2CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CC2=O)=CC=C1F	REAL300019903320	1	44	-1.0	-63.92	357.33	5.50	-58.42
CCC(CC)N1N=C(C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903321	0	45	-1.0	-51.42	352.71	5.10	-46.32
CCC(CC)N1N=C(C)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903321	1	45	-1.0	-51.41	352.76	5.13	-46.28
CC(CCCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903322	0	45	-1.0	-52.98	355.49	7.24	-45.74
CC(CCCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903322	1	45	-1.0	-53.00	355.54	7.26	-45.74
O=C(C1=CC(OC(F)F)=CC(OC(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903323	0	38	-1.0	-55.47	329.21	2.72	-52.75
O=C(C1=CC(OC(F)F)=CC(OC(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903323	1	38	-1.0	-55.49	329.26	2.74	-52.75
O=C(C1CCC2=C(Cl)C=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903324	0	37	-1.0	-54.38	317.57	6.09	-48.29
O=C(C1CCC2=C(Cl)C=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903324	1	37	-1.0	-54.37	317.63	6.10	-48.27
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903325	0	44	-1.0	-60.14	385.76	2.07	-58.07
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903325	1	44	-1.0	-60.15	385.82	2.10	-58.05
CN(C)C1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N(C)C2=NC=N1	REAL300019903326	0	43	-1.0	-51.75	342.41	4.45	-47.30
CN(C)C1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N(C)C2=NC=N1	REAL300019903326	1	43	-1.0	-51.71	342.47	4.47	-47.24
O=C(CCC1=CC=C2NC=CC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903327	0	40	-1.0	-54.41	332.00	5.52	-48.89
O=C(CCC1=CC=C2NC=CC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903327	1	40	-1.0	-54.43	332.06	5.55	-48.88
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300019903328	0	43	-1.0	-56.30	345.63	5.00	-51.30
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300019903328	1	43	-1.0	-56.29	345.68	5.02	-51.27
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1	REAL300019903329	0	41	-1.0	-47.50	353.03	6.32	-41.18
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL300019903329	1	41	-1.0	-47.44	353.09	6.35	-41.09
O=C(CCCC1=CC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903330	0	45	-1.0	-55.84	368.24	8.52	-47.32
O=C(CCCC1=CC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903330	1	45	-1.0	-55.86	368.30	8.54	-47.32
CC(C)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(=O)N1	REAL300019903331	0	39	-1.0	-57.31	324.75	2.75	-54.56
CC(C)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(=O)N1	REAL300019903331	1	39	-1.0	-57.31	324.81	2.77	-54.54
CCC(C)N1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL300019903332	0	42	-1.0	-56.80	337.01	4.65	-52.15
CCC(C)N1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL300019903332	1	42	-1.0	-56.82	337.07	4.67	-52.15
CC1=C(C)N2C(=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=O)S1	REAL300019903333	0	38	-1.0	-62.14	330.97	4.15	-57.99
CC1=C(C)N2C(=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=O)S1	REAL300019903333	1	38	-1.0	-62.14	330.91	4.13	-58.01
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1	REAL300019903334	0	40	-1.0	-54.51	350.03	6.30	-48.21
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300019903334	1	40	-1.0	-54.48	350.09	6.33	-48.15
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019903335	0	39	-1.0	-50.58	346.19	5.17	-45.41
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019903335	1	39	-1.0	-50.57	346.13	5.15	-45.42
O=C(C1=CC=C(C2=CN=CC=N2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903336	0	37	-1.0	-55.28	315.11	2.72	-52.56
O=C(C1=CC=C(C2=CN=CC=N2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903336	1	37	-1.0	-55.28	315.16	2.74	-52.54
O=C(OCC1=CC=CC=C1)N1CCC(F)(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019903337	0	48	-1.0	-49.47	397.77	5.79	-43.68
O=C(OCC1=CC=CC=C1)N1CCC(F)(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019903337	1	48	-1.0	-49.44	397.83	5.82	-43.62
O=C(C1=CN=C2OCC(=O)NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903338	0	35	-1.0	-51.88	296.29	-2.29	-54.17
O=C(C1=CN=C2OCC(=O)NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903338	1	35	-1.0	-51.93	296.23	-2.32	-54.25
N#CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1Cl	REAL300019903339	0	31	-1.0	-48.74	286.97	4.35	-44.39
N#CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1Cl	REAL300019903339	1	31	-1.0	-48.73	287.03	4.38	-44.35
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903340	0	37	-1.0	-52.29	341.02	4.18	-48.11
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903340	1	37	-1.0	-52.30	341.08	4.21	-48.09
O=C(CC(O)C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903341	0	37	-1.0	-53.32	324.35	3.69	-49.63
O=C(CC(O)C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903341	1	37	-1.0	-53.38	324.40	3.71	-49.67
CC(C)(C)SC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL300019903342	0	42	-1.0	-50.16	341.70	5.90	-44.26
CC(C)(C)SC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL300019903342	1	42	-1.0	-50.18	341.65	5.88	-44.30
O=C(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903343	0	33	-1.0	-36.58	296.31	4.57	-32.01
O=C(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903343	1	33	-1.0	-36.58	296.37	4.59	-31.99
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903344	0	45	-1.0	-60.95	366.19	4.75	-56.20
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903344	1	45	-1.0	-60.95	366.25	4.77	-56.18
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903345	0	41	-1.0	-40.44	350.14	6.49	-33.95
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903345	1	41	-1.0	-40.44	350.21	6.50	-33.94
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903346	0	36	-1.0	-52.54	324.13	3.71	-48.83
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903346	1	36	-1.0	-52.53	324.08	3.68	-48.85
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC2=NC(C)=NC(N)=C12	REAL300019903347	0	39	-1.0	-51.23	324.61	2.44	-48.79
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC2=NC(C)=NC(N)=C12	REAL300019903347	1	39	-1.0	-51.28	324.66	2.47	-48.81
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903348	0	42	-1.0	-57.60	353.05	0.97	-56.63
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903348	1	42	-1.0	-57.60	353.11	0.99	-56.61
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903349	0	47	-1.0	-62.09	391.52	5.49	-56.60
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903349	1	47	-1.0	-62.07	391.57	5.52	-56.55
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903350	0	41	-1.0	-60.03	352.26	5.29	-54.74
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903350	1	41	-1.0	-60.06	352.32	5.31	-54.75
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300019903351	0	35	-1.0	-47.16	313.58	5.28	-41.88
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300019903351	1	35	-1.0	-47.17	313.63	5.31	-41.86
CSC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903352	0	37	-1.0	-54.93	316.70	5.59	-49.34
CSC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903352	1	37	-1.0	-54.94	316.76	5.61	-49.33
COCCOC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL300019903353	0	40	-1.0	-51.82	333.39	0.50	-51.32
COCCOC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL300019903353	1	40	-1.0	-51.82	333.34	0.47	-51.35
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL300019903354	0	35	-1.0	-44.99	290.84	3.55	-41.44
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL300019903354	1	35	-1.0	-44.97	290.90	3.55	-41.42
COC1=CC(C(=O)CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300019903355	0	50	-1.0	-51.82	412.69	4.44	-47.38
COC1=CC(C(=O)CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300019903355	1	50	-1.0	-51.82	412.75	4.47	-47.35
COCC1=NN=C(C2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)O1	REAL300019903356	0	42	-1.0	-45.69	351.64	-1.23	-46.92
COCC1=NN=C(C2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)O1	REAL300019903356	1	42	-1.0	-45.67	351.70	-1.24	-46.91
CC1=CSC2=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C(=O)N12	REAL300019903357	0	35	-1.0	-62.83	311.34	3.46	-59.37
CC1=CSC2=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C(=O)N12	REAL300019903357	1	35	-1.0	-62.83	311.29	3.44	-59.39
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903358	0	37	-1.0	-56.00	336.50	6.28	-49.72
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903358	1	37	-1.0	-55.98	336.44	6.27	-49.71
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL300019903359	0	42	-1.0	-53.27	351.60	7.17	-46.10
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL300019903359	1	42	-1.0	-53.25	351.66	7.20	-46.05
CC1=CC=C(S(=O)(=O)NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)O)C=C1	REAL300019903360	0	48	-1.0	-63.23	395.06	-0.85	-64.08
CC1=CC=C(S(=O)(=O)NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)O)C=C1	REAL300019903360	1	48	-1.0	-63.28	395.11	-0.84	-64.12
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903361	0	40	-1.0	-53.48	345.43	-0.12	-53.60
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903361	1	40	-1.0	-53.48	345.49	-0.09	-53.57
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903362	0	36	-1.0	-56.41	309.95	0.27	-56.14
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903362	1	36	-1.0	-56.40	310.00	0.27	-56.13
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903363	0	35	-1.0	-45.84	295.99	-1.02	-46.86
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903363	1	35	-1.0	-45.84	296.05	-1.04	-46.88
COC1=C(C)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL300019903364	0	40	-1.0	-41.75	311.30	3.97	-37.78
COC1=C(C)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL300019903364	1	40	-1.0	-41.74	311.35	3.98	-37.76
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903365	0	34	-1.0	-52.83	299.98	2.82	-50.01
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903365	1	34	-1.0	-52.86	300.04	2.84	-50.02
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903365	1	33	-2.0	-107.02	289.03	3.63	-103.39
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903365	1	33	-2.0	-107.02	289.09	3.65	-103.37
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)O2)=C1	REAL300019903366	0	46	-1.0	-52.11	375.52	7.69	-44.42
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)O2)=C1	REAL300019903366	1	46	-1.0	-52.14	375.57	7.72	-44.42
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903367	0	30	-1.0	-36.11	270.94	3.66	-32.45
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903367	1	30	-1.0	-36.11	270.97	3.65	-32.46
O=C(C1=C(Br)N=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903368	0	26	-1.0	-52.76	255.37	1.31	-51.45
O=C(C1=C(Br)N=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903368	1	26	-1.0	-52.79	255.31	1.29	-51.50
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1N=NN=C1C(C)(C)C	REAL300019903369	0	43	-1.0	-63.83	340.98	2.80	-61.03
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1N=NN=C1C(C)(C)C	REAL300019903369	1	43	-1.0	-63.83	340.92	2.78	-61.05
O=C(C1=CSC(NC2CC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903370	0	35	-1.0	-52.26	307.38	3.20	-49.06
O=C(C1=CSC(NC2CC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903370	1	35	-1.0	-52.29	307.32	3.17	-49.12
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019903371	0	40	-1.0	-54.35	365.20	6.75	-47.60
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019903371	1	40	-1.0	-54.32	365.26	6.78	-47.54
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL300019903372	0	40	-1.0	-54.77	339.71	5.85	-48.92
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL300019903372	1	40	-1.0	-54.74	339.78	5.88	-48.86
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL300019903373	0	43	-1.0	-56.18	354.70	6.46	-49.72
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL300019903373	1	43	-1.0	-56.19	354.76	6.48	-49.71
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300019903374	0	40	-1.0	-54.33	348.43	6.27	-48.06
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300019903374	1	40	-1.0	-54.33	348.49	6.29	-48.04
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300019903375	0	46	-1.0	-56.45	374.55	7.08	-49.37
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300019903375	1	46	-1.0	-56.50	374.61	7.11	-49.39
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903376	0	47	-1.0	-45.62	375.14	7.06	-38.56
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903376	1	47	-1.0	-45.62	375.20	7.06	-38.56
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903377	0	46	-1.0	-50.33	361.53	4.07	-46.26
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903377	1	46	-1.0	-50.29	361.47	4.05	-46.24
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903378	0	41	-1.0	-51.83	368.45	8.19	-43.64
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903378	1	41	-1.0	-51.88	368.50	8.21	-43.67
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C(C)C1CC1	REAL300019903379	0	43	-1.0	-56.72	350.32	5.55	-51.17
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C(C)C1CC1	REAL300019903379	1	43	-1.0	-56.71	350.37	5.57	-51.14
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CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903380	1	50	-1.0	-54.32	401.15	4.94	-49.38
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CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=C1	REAL300019903391	0	39	-1.0	-52.19	336.23	3.55	-48.64
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=C1	REAL300019903391	1	39	-1.0	-52.16	336.28	3.57	-48.59
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903392	0	46	-1.0	-60.30	385.44	6.19	-54.11
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903392	1	46	-1.0	-60.25	385.38	6.16	-54.09
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)O1	REAL300019903393	0	45	-1.0	-61.37	378.81	0.03	-61.34
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)O1	REAL300019903393	1	45	-1.0	-61.34	378.87	0.05	-61.29
CCC(C)OC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL300019903394	0	42	-1.0	-50.60	340.67	2.96	-47.64
CCC(C)OC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL300019903394	1	42	-1.0	-50.61	340.61	2.93	-47.68
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=NO2)=C1	REAL300019903395	0	45	-1.0	-62.25	384.98	5.38	-56.87
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=NO2)=C1	REAL300019903395	1	45	-1.0	-62.25	385.04	5.41	-56.84
CC(C)(C)OC(=O)N1CCCC(COCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019903396	0	57	-1.0	-68.99	440.01	6.07	-62.92
CC(C)(C)OC(=O)N1CCCC(COCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019903396	1	57	-1.0	-69.01	440.07	6.09	-62.92
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903397	0	47	-1.0	-56.42	372.72	8.13	-48.29
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903397	1	47	-1.0	-56.44	372.77	8.15	-48.29
CC(C)CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(=O)N1	REAL300019903398	0	42	-1.0	-58.39	345.74	3.30	-55.09
CC(C)CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(=O)N1	REAL300019903398	1	42	-1.0	-58.38	345.80	3.32	-55.06
CC1=CC=CC(C2=NOC(SCC(=O)N3CCC[C@H]3C3=NN=N[N-]3)=N2)=C1	REAL300019903399	0	42	-1.0	-52.55	373.39	4.48	-48.07
CC1=CC=CC(C2=NOC(SCC(=O)N3CCC[C@H]3C3=N[N-]N=N3)=N2)=C1	REAL300019903399	1	42	-1.0	-52.53	373.33	4.46	-48.07
O=C(C1=CC(Br)=NC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903400	0	29	-1.0	-49.88	273.67	2.39	-47.49
O=C(C1=CC(Br)=NC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903400	1	29	-1.0	-49.89	273.61	2.37	-47.52
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903401	0	37	-1.0	-57.45	322.35	6.06	-51.39
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903401	1	37	-1.0	-57.45	322.41	6.08	-51.37
CC1=NC(COC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)=NO1	REAL300019903402	0	42	-1.0	-48.18	347.91	1.86	-46.32
CC1=NC(COC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)=NO1	REAL300019903402	1	42	-1.0	-48.18	347.97	1.86	-46.32
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1Cl	REAL300019903403	0	34	-1.0	-51.24	296.24	3.40	-47.84
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1Cl	REAL300019903403	1	34	-1.0	-51.25	296.30	3.43	-47.82
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019903404	0	42	-1.0	-63.01	339.59	2.28	-60.73
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019903404	1	42	-1.0	-63.04	339.65	2.30	-60.74
COC1=C(Br)SC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903405	0	31	-1.0	-48.71	293.97	2.65	-46.06
COC1=C(Br)SC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903405	1	31	-1.0	-48.74	294.03	2.67	-46.07
N#CC1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2C=C1	REAL300019903406	0	37	-1.0	-54.08	318.70	6.19	-47.89
N#CC1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2C=C1	REAL300019903406	1	37	-1.0	-54.12	318.75	6.21	-47.91
O=C(C1COC2=CC=C(Br)C=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903407	0	35	-1.0	-55.16	311.01	4.13	-51.03
O=C(C1COC2=CC=C(Br)C=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903407	1	35	-1.0	-55.16	311.06	4.16	-51.00
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL300019903408	0	38	-1.0	-56.55	332.03	-0.31	-56.86
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL300019903408	1	38	-1.0	-56.53	332.08	-0.29	-56.82
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=C(F)C=CC=C1F	REAL300019903409	0	33	-1.0	-52.84	295.81	4.62	-48.22
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300019903409	1	33	-1.0	-52.85	295.87	4.64	-48.21
N#CC1=CC=C(C2CC2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903410	0	38	-1.0	-55.28	319.05	6.30	-48.98
N#CC1=CC=C(C2CC2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903410	1	38	-1.0	-55.28	319.11	6.33	-48.95
O=C(C1=CN=CC(I)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903411	0	29	-1.0	-39.65	268.00	2.25	-37.40
O=C(C1=CN=CC(I)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903411	1	29	-1.0	-39.64	267.94	2.26	-37.38
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2=O	REAL300019903412	0	51	-1.0	-61.25	396.49	3.54	-57.71
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2=O	REAL300019903412	1	51	-1.0	-61.26	396.55	3.57	-57.69
COC1=CC=C(COCCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903413	0	47	-1.0	-57.92	385.66	4.84	-53.08
COC1=CC=C(COCCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903413	1	47	-1.0	-57.91	385.72	4.86	-53.05
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903414	0	35	-1.0	-60.53	312.86	4.84	-55.69
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903414	1	35	-1.0	-60.50	312.80	4.83	-55.67
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019903415	0	48	-1.0	-53.93	387.46	8.13	-45.80
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019903415	1	48	-1.0	-53.90	387.52	8.15	-45.75
O=C(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NC1CCCC1	REAL300019903416	0	43	-1.0	-50.35	344.99	2.94	-47.41
O=C(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NC1CCCC1	REAL300019903416	1	43	-1.0	-50.35	345.05	2.97	-47.38
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903417	0	39	-1.0	-66.46	339.27	5.39	-61.07
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903417	1	39	-1.0	-66.46	339.32	5.42	-61.04
CC(C)NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903418	0	43	-1.0	-55.89	349.86	3.53	-52.36
CC(C)NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903418	1	43	-1.0	-55.86	349.92	3.54	-52.32
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903419	0	36	-1.0	-47.68	299.49	3.89	-43.79
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903419	1	36	-1.0	-47.69	299.56	3.91	-43.78
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019903420	0	53	-1.0	-56.41	411.61	5.54	-50.87
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019903420	1	53	-1.0	-56.44	411.67	5.56	-50.88
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300019903421	0	40	-1.0	-59.29	348.61	6.48	-52.81
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300019903421	1	40	-1.0	-59.27	348.66	6.50	-52.77
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903422	0	36	-1.0	-53.55	329.46	4.50	-49.05
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903422	1	36	-1.0	-53.49	329.41	4.47	-49.02
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903423	0	37	-1.0	-56.32	309.69	5.14	-51.18
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903423	1	37	-1.0	-56.34	309.75	5.17	-51.17
COC1=CC2=C(CC(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300019903424	0	43	-1.0	-60.80	351.26	6.09	-54.71
COC1=CC2=C(CC(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300019903424	1	43	-1.0	-60.82	351.32	6.11	-54.71
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903425	0	41	-1.0	-53.95	325.70	4.19	-49.76
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903425	1	41	-1.0	-53.95	325.75	4.22	-49.73
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903426	0	39	-1.0	-63.16	335.42	6.41	-56.75
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903426	1	39	-1.0	-63.10	335.37	6.38	-56.72
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903427	0	46	-1.0	-58.83	375.35	6.30	-52.53
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903427	1	46	-1.0	-58.89	375.41	6.33	-52.56
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903428	0	39	-1.0	-52.39	347.18	5.65	-46.74
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903428	1	39	-1.0	-52.43	347.12	5.62	-46.81
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903429	0	53	-1.0	-60.15	407.80	5.59	-54.56
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903429	1	53	-1.0	-60.12	407.86	5.61	-54.51
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL300019903430	0	39	-1.0	-49.21	330.92	4.70	-44.51
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL300019903430	1	39	-1.0	-49.23	330.86	4.68	-44.55
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300019903431	0	39	-1.0	-52.97	325.15	5.70	-47.27
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300019903431	1	39	-1.0	-52.96	325.09	5.68	-47.28
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N2)=C1	REAL300019903432	0	44	-1.0	-55.35	359.11	4.50	-50.85
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N2)=C1	REAL300019903432	1	44	-1.0	-55.36	359.17	4.52	-50.84
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903433	0	43	-1.0	-62.27	372.83	-0.23	-62.50
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903433	1	43	-1.0	-62.22	372.89	-0.21	-62.43
NS(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019903434	0	34	-1.0	-45.55	294.80	-4.03	-49.58
NS(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019903434	1	34	-1.0	-45.60	294.74	-4.03	-49.63
O=C(C1=CN(C2=CC=C(Br)C=C2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903435	0	37	-1.0	-54.82	332.71	7.35	-47.47
O=C(C1=CN(C2=CC=C(Br)C=C2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903435	1	37	-1.0	-54.83	332.66	7.32	-47.51
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019903436	0	43	-1.0	-54.45	368.35	6.20	-48.25
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019903436	1	43	-1.0	-54.46	368.40	6.21	-48.25
CN(C(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019903437	0	47	-1.0	-44.23	365.03	6.15	-38.08
CN(C(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019903437	1	47	-1.0	-44.14	366.04	6.11	-38.03
O=C(CC1=CNC2=CC=CC(Br)=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903438	0	37	-1.0	-58.32	327.13	5.16	-53.16
O=C(CC1=CNC2=CC=CC(Br)=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903438	1	37	-1.0	-58.35	327.19	5.19	-53.16
COC1=CC=C(C(F)(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903439	0	37	-1.0	-47.99	316.19	3.90	-44.09
COC1=CC=C(C(F)(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903439	1	37	-1.0	-47.94	316.25	3.92	-44.02
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903440	0	39	-1.0	-51.46	336.08	4.80	-46.66
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903440	1	39	-1.0	-51.47	336.13	4.83	-46.64
O=C(NC1CC1)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903441	0	41	-1.0	-41.36	333.23	3.06	-38.30
O=C(NC1CC1)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903441	1	41	-1.0	-41.35	333.30	3.06	-38.29
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903442	0	53	-1.0	-50.89	418.37	5.89	-45.00
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903442	1	53	-1.0	-50.91	418.42	5.90	-45.01
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(OC)=C1O	REAL300019903443	0	39	-1.0	-53.78	320.15	0.59	-53.19
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(OC)=C1O	REAL300019903443	1	39	-1.0	-53.78	320.20	0.61	-53.17
O=C(C1=CN2C(=O)NN=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903444	0	33	-1.0	-37.96	275.92	1.41	-36.55
O=C(C1=CN2C(=O)NN=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903444	1	33	-1.0	-38.01	275.97	1.41	-36.60
O=C(C1CCN(C2=CN=CC3=NN=NN32)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903445	0	45	-1.0	-61.06	353.46	3.31	-57.75
O=C(C1CCN(C2=CN=CC3=NN=NN32)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903445	1	45	-1.0	-61.07	353.40	3.28	-57.79
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1Br	REAL300019903446	0	33	-1.0	-39.42	290.74	4.42	-35.00
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1Br	REAL300019903446	1	33	-1.0	-39.43	290.80	4.43	-35.00
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903447	0	40	-1.0	-56.57	343.70	7.28	-49.29
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903447	1	40	-1.0	-56.59	343.76	7.31	-49.28
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903448	0	45	-1.0	-57.09	382.78	3.91	-53.18
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903448	1	45	-1.0	-57.09	382.84	3.93	-53.16
CC(C)CC1=CC=C(C(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903449	0	48	-1.0	-52.45	371.61	7.63	-44.82
CC(C)CC1=CC=C(C(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903449	1	48	-1.0	-52.45	371.67	7.64	-44.81
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903450	0	30	-1.0	-37.75	270.51	3.73	-34.02
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903450	1	30	-1.0	-37.78	270.58	3.72	-34.06
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(N(C)C)=N1	REAL300019903451	0	37	-1.0	-54.90	309.63	3.00	-51.90
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(N(C)C)=N1	REAL300019903451	1	37	-1.0	-54.89	309.69	3.03	-51.86
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903452	0	41	-1.0	-50.30	342.05	3.96	-46.34
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903452	1	41	-1.0	-50.32	342.10	3.98	-46.34
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL300019903453	0	42	-1.0	-53.89	322.80	4.02	-49.87
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL300019903453	1	42	-1.0	-53.89	322.86	4.04	-49.85
N#CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL300019903454	0	42	-1.0	-58.41	376.83	7.35	-51.06
N#CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL300019903454	1	42	-1.0	-58.42	376.89	7.38	-51.04
O=C(C1=CN=C(C2CCCO2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903455	0	37	-1.0	-54.26	315.55	1.62	-52.64
O=C(C1=CN=C(C2CCCO2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903455	1	37	-1.0	-54.30	315.60	1.65	-52.65
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903456	0	35	-1.0	-60.21	298.00	4.31	-55.90
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903456	1	35	-1.0	-60.23	297.94	4.29	-55.94
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)C=C1	REAL300019903457	0	46	-1.0	-52.98	381.48	6.84	-46.14
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)C=C1	REAL300019903457	1	46	-1.0	-52.99	381.54	6.87	-46.12
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903458	0	36	-1.0	-54.04	313.01	2.81	-51.23
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903458	1	36	-1.0	-54.02	312.96	2.78	-51.24
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903459	0	42	-1.0	-52.27	329.92	0.50	-51.77
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903459	1	42	-1.0	-52.30	329.87	0.48	-51.82
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Br	REAL300019903460	0	33	-1.0	-54.00	288.65	4.73	-49.27
CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Br	REAL300019903460	1	33	-1.0	-53.97	288.71	4.74	-49.23
O=C(C1CCC2CCCCC2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903461	0	46	-1.0	-57.40	331.39	6.09	-51.31
O=C(C1CCC2CCCCC2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903461	1	46	-1.0	-57.45	331.44	6.10	-51.35
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903462	0	46	-1.0	-47.81	365.50	2.19	-45.62
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903462	1	46	-1.0	-47.81	365.55	2.20	-45.61
O=C(CCCC1=CC(F)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903463	0	39	-1.0	-53.88	334.10	6.36	-47.52
O=C(CCCC1=CC(F)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903463	1	39	-1.0	-53.91	334.16	6.39	-47.52
O=C(C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903464	0	43	-1.0	-55.52	372.72	6.62	-48.90
O=C(C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903464	1	43	-1.0	-55.57	372.77	6.65	-48.92
COC1=CC=C(CC(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903465	0	43	-1.0	-52.02	341.27	4.93	-47.09
COC1=CC=C(CC(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903465	1	43	-1.0	-51.99	341.32	4.95	-47.04
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903466	0	44	-1.0	-41.07	354.98	5.20	-35.87
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903466	1	44	-1.0	-41.13	355.03	5.19	-35.94
CC(C)CC1=CC=C(CCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903467	0	51	-1.0	-53.75	403.30	8.94	-44.81
CC(C)CC1=CC=C(CCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903467	1	51	-1.0	-53.77	403.36	8.97	-44.80
CC1=NOC(C)=C1C(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903468	0	41	-1.0	-49.97	325.58	4.50	-45.47
CC1=NOC(C)=C1C(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903468	1	41	-1.0	-49.97	325.64	4.52	-45.45
CC(C)(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019903469	0	45	-1.0	-54.73	348.18	6.82	-47.91
CC(C)(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019903469	1	45	-1.0	-54.68	348.23	6.84	-47.84
COC1=CC=C(CCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(OC)=C1	REAL300019903470	0	47	-1.0	-57.91	379.95	4.91	-53.00
COC1=CC=C(CCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(OC)=C1	REAL300019903470	1	47	-1.0	-57.93	380.01	4.94	-52.99
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903471	0	39	-1.0	-44.25	327.23	1.49	-42.76
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903471	1	39	-1.0	-44.21	327.30	1.49	-42.72
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903472	0	38	-1.0	-60.82	321.22	-0.13	-60.95
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903472	1	38	-1.0	-60.77	321.27	-0.11	-60.88
CC1=NNC(C)=C1C(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903473	0	42	-1.0	-51.57	327.94	3.27	-48.30
CC1=NNC(C)=C1C(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903473	1	42	-1.0	-51.55	327.88	3.24	-48.31
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903474	0	40	-1.0	-51.10	323.00	4.42	-46.68
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903474	1	40	-1.0	-51.02	322.93	4.39	-46.63
O=C(C1CCCN(CC(F)(F)F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903475	0	41	-1.0	-55.06	320.48	2.08	-52.98
O=C(C1CCCN(CC(F)(F)F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903475	1	41	-1.0	-55.07	320.54	2.11	-52.96
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903476	0	36	-1.0	-59.66	303.20	3.48	-56.18
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903476	1	36	-1.0	-59.64	303.14	3.45	-56.19
O=C(C1=CC(Br)=CC(C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903477	0	33	-1.0	-47.93	310.70	5.14	-42.79
O=C(C1=CC(Br)=CC(C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903477	1	33	-1.0	-47.93	310.76	5.17	-42.76
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903478	0	42	-1.0	-53.46	341.72	3.72	-49.74
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903478	1	42	-1.0	-53.47	341.77	3.75	-49.72
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C1CCCC1	REAL300019903479	0	43	-1.0	-52.53	335.91	4.78	-47.75
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C1CCCC1	REAL300019903479	1	43	-1.0	-52.56	335.97	4.80	-47.76
CCC1=CSC(N2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=N2)=N1	REAL300019903480	0	39	-1.0	-55.29	340.55	4.30	-50.99
CCC1=CSC(N2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=N2)=N1	REAL300019903480	1	39	-1.0	-55.24	340.49	4.29	-50.95
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903481	0	36	-1.0	-81.73	302.97	5.02	-76.71
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903481	1	36	-1.0	-81.68	302.93	5.01	-76.67
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300019903482	0	36	-1.0	-56.08	298.16	4.88	-51.20
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300019903482	1	36	-1.0	-56.11	298.22	4.90	-51.21
N#CCOC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903483	0	38	-1.0	-60.26	330.00	4.68	-55.58
N#CCOC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903483	1	38	-1.0	-60.25	330.05	4.70	-55.55
CC1=CC=C(C2=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CS2)N1C	REAL300019903484	0	40	-1.0	-55.30	340.68	4.92	-50.38
CC1=CC=C(C2=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CS2)N1C	REAL300019903484	1	40	-1.0	-55.33	340.63	4.90	-50.43
CN1C(=O)CCC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL300019903485	0	41	-1.0	-54.75	326.47	4.43	-50.32
CN1C(=O)CCC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL300019903485	1	41	-1.0	-54.74	326.53	4.46	-50.28
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1CCOC1CCCCO1	REAL300019903486	0	51	-1.0	-53.77	403.85	4.11	-49.66
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1CCOC1CCCCO1	REAL300019903486	1	51	-1.0	-53.77	403.91	4.13	-49.64
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903487	0	35	-1.0	-51.28	298.44	4.03	-47.25
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903487	1	35	-1.0	-51.29	298.38	4.00	-47.29
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903488	0	36	-1.0	-53.61	312.78	1.55	-52.06
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903488	1	36	-1.0	-53.68	312.72	1.52	-52.16
O=C(CCC1=CC(Br)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903489	0	36	-1.0	-52.21	327.51	6.12	-46.09
O=C(CCC1=CC(Br)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903489	1	36	-1.0	-52.22	327.56	6.15	-46.07
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019903490	0	40	-1.0	-56.37	365.49	7.00	-49.37
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300019903490	1	40	-1.0	-56.43	365.55	7.02	-49.41
CCC(CC)N1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL300019903491	0	45	-1.0	-57.24	357.80	5.50	-51.74
CCC(CC)N1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL300019903491	1	45	-1.0	-57.24	357.86	5.53	-51.71
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1CCCCC1	REAL300019903492	0	46	-1.0	-56.43	360.43	5.88	-50.55
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1CCCCC1	REAL300019903492	1	46	-1.0	-56.40	360.47	5.90	-50.50
CC(CC1=CC=CC=C1Cl)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903493	0	39	-1.0	-52.11	319.13	5.91	-46.20
CC(CC1=CC=CC=C1Cl)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903493	1	39	-1.0	-52.15	319.18	5.92	-46.23
O=C(CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300019903494	0	41	-1.0	-64.60	374.22	7.05	-57.55
O=C(CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300019903494	1	41	-1.0	-64.63	374.28	7.08	-57.55
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903495	0	41	-1.0	-57.42	340.12	5.20	-52.22
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903495	1	41	-1.0	-57.47	340.18	5.22	-52.25
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CC=CC=C1F	REAL300019903496	0	33	-1.0	-50.70	290.20	4.61	-46.09
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CC=CC=C1F	REAL300019903496	1	33	-1.0	-50.69	290.26	4.63	-46.06
COCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019903497	0	36	-1.0	-53.21	309.10	1.03	-52.18
COCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019903497	1	36	-1.0	-53.22	309.16	1.05	-52.17
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC(C2=CC(C)=CC=C2)=N1	REAL300019903498	0	43	-1.0	-53.37	351.04	5.87	-47.50
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC(C2=CC(C)=CC=C2)=N1	REAL300019903498	1	43	-1.0	-53.35	351.10	5.89	-47.46
CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903499	0	38	-1.0	-70.16	316.04	0.71	-69.45
CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903499	1	38	-1.0	-70.21	316.09	0.73	-69.48
COC1=CC=CC=C1SCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903500	0	38	-1.0	-57.92	326.45	4.50	-53.42
COC1=CC=CC=C1SCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903500	1	38	-1.0	-57.91	326.51	4.52	-53.39
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903501	0	39	-1.0	-51.67	328.48	6.15	-45.52
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903501	1	39	-1.0	-51.67	328.53	6.18	-45.49
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903502	0	36	-1.0	-53.23	312.55	1.54	-51.69
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903502	1	36	-1.0	-53.20	312.50	1.51	-51.69
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C1=CC=NC=C1	REAL300019903503	0	39	-1.0	-52.71	323.04	3.41	-49.30
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C1=CC=NC=C1	REAL300019903503	1	39	-1.0	-52.71	323.09	3.42	-49.29
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903504	0	42	-1.0	-56.66	360.52	4.68	-51.98
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903504	1	42	-1.0	-56.67	360.57	4.71	-51.96
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCCC1	REAL300019903505	0	59	-1.0	-57.60	428.35	5.26	-52.34
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCCC1	REAL300019903505	1	59	-1.0	-57.62	428.41	5.29	-52.33
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300019903506	0	39	-1.0	-57.92	326.69	5.78	-52.14
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300019903506	1	39	-1.0	-57.92	326.74	5.81	-52.11
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903507	0	42	-1.0	-67.12	361.44	3.08	-64.04
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903507	1	42	-1.0	-67.16	361.50	3.10	-64.06
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCC(C)CC1	REAL300019903508	0	48	-1.0	-53.91	348.83	6.29	-47.62
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCC(C)CC1	REAL300019903508	1	48	-1.0	-53.89	348.89	6.31	-47.58
CC(C)CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1=O	REAL300019903509	0	43	-1.0	-47.63	344.14	3.84	-43.79
CC(C)CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1=O	REAL300019903509	1	43	-1.0	-47.65	344.20	3.87	-43.78
O=C(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C2NC(=O)CCC2=C1	REAL300019903510	0	46	-1.0	-53.07	380.42	4.49	-48.58
O=C(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C2NC(=O)CCC2=C1	REAL300019903510	1	46	-1.0	-53.09	380.48	4.52	-48.57
CC1=CC(C)=C(Br)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903511	0	36	-1.0	-53.61	310.04	5.38	-48.23
CC1=CC(C)=C(Br)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903511	1	36	-1.0	-53.62	310.10	5.40	-48.22
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903512	0	37	-1.0	-50.94	325.23	6.16	-44.78
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903512	1	37	-1.0	-50.92	325.29	6.19	-44.73
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903513	0	34	-1.0	-50.81	307.20	5.34	-45.47
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903513	1	34	-1.0	-50.80	307.26	5.36	-45.44
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1Cl	REAL300019903514	0	33	-1.0	-50.70	294.32	2.53	-48.17
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1Cl	REAL300019903514	1	33	-1.0	-50.69	294.27	2.51	-48.18
O=C(C1=CC=C(I)C(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903515	0	31	-1.0	-41.05	288.93	1.53	-39.52
O=C(C1=CC=C(I)C(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903515	1	31	-1.0	-41.04	289.00	1.53	-39.51
O=C(C1=CC=C(I)C([O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903515	1	30	-2.0	-95.45	284.86	2.61	-92.84
O=C(C1=CC=C(I)C([O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903515	1	30	-2.0	-95.50	284.92	2.63	-92.87
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903516	0	44	-1.0	-51.83	353.35	6.75	-45.08
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903516	1	44	-1.0	-51.83	353.41	6.77	-45.06
COC1=CC=CC=C1C(=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903517	0	36	-1.0	-50.69	299.70	4.27	-46.42
COC1=CC=CC=C1C(=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903517	1	36	-1.0	-50.71	299.75	4.30	-46.41
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903518	0	37	-1.0	-57.77	322.96	5.55	-52.22
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903518	1	37	-1.0	-57.78	322.91	5.53	-52.25
C[NH+](C)CC1(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCCC1	REAL300019903519	0	48	0.0	-72.59	332.36	5.30	-67.29
C[NH+](C)CC1(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCCC1	REAL300019903519	1	48	0.0	-72.60	332.41	5.31	-67.29
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903520	0	33	-1.0	-46.63	286.90	1.44	-45.19
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903520	1	33	-1.0	-46.64	286.84	1.43	-45.21
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL300019903521	0	44	-1.0	-52.01	342.43	5.28	-46.73
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL300019903521	1	44	-1.0	-52.03	342.48	5.31	-46.72
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903522	0	39	-1.0	-52.63	351.98	3.82	-48.81
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903522	1	39	-1.0	-52.58	351.93	3.79	-48.79
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903523	0	40	-1.0	-56.38	349.03	5.18	-51.20
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903523	1	40	-1.0	-56.37	348.97	5.17	-51.20
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)=N1	REAL300019903524	0	46	-1.0	-57.80	378.76	5.05	-52.75
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)=N1	REAL300019903524	1	46	-1.0	-57.79	378.81	5.07	-52.72
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)=N1	REAL300019903524	1	47	0.0	-74.07	381.94	5.51	-68.56
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903525	0	35	-2.0	-89.59	314.25	-0.78	-90.37
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903525	1	35	-2.0	-89.59	314.32	-0.77	-90.36
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903526	0	34	-2.0	-95.84	298.11	1.49	-94.35
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903526	1	34	-2.0	-95.86	298.17	1.50	-94.36
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903527	0	30	-2.0	-102.10	280.87	1.80	-100.30
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903527	1	30	-2.0	-101.19	271.84	1.68	-99.51
C[N@H+](CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCCC1	REAL300019903528	0	48	0.0	-65.52	353.24	6.01	-59.51
C[N@@H+](CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCCC1	REAL300019903528	1	48	0.0	-64.76	353.25	6.01	-58.75
C[N@H+](CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCCC1	REAL300019903528	1	48	0.0	-65.55	353.30	6.03	-59.52
C[N@@H+](CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCCC1	REAL300019903528	1	48	0.0	-64.79	353.30	6.03	-58.76
CCC1CCCCC1OCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903529	0	46	-1.0	-57.03	351.87	6.08	-50.95
CCC1CCCCC1OCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903529	1	46	-1.0	-57.01	351.95	6.10	-50.91
COC1=CC=C(C(=O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL300019903530	0	36	-1.0	-49.88	317.83	3.68	-46.20
COC1=CC=C(C(=O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL300019903530	1	36	-1.0	-49.90	317.89	3.70	-46.20
CN1C=C(N2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC2=O)C=N1	REAL300019903531	0	40	-1.0	-51.80	339.44	3.66	-48.14
CN1C=C(N2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC2=O)C=N1	REAL300019903531	1	40	-1.0	-51.78	339.38	3.64	-48.14
O=C(CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL300019903532	0	47	-1.0	-68.17	386.79	5.25	-62.92
O=C(CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL300019903532	1	47	-1.0	-68.20	386.85	5.27	-62.93
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL300019903533	0	49	-1.0	-54.27	393.72	2.14	-52.13
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL300019903533	1	49	-1.0	-54.25	393.77	2.17	-52.08
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903534	0	40	-1.0	-57.23	348.44	4.97	-52.26
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903534	1	40	-1.0	-57.28	348.49	4.99	-52.29
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903535	0	41	-1.0	-55.02	334.49	0.84	-54.18
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903535	1	41	-1.0	-55.02	334.43	0.82	-54.20
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903536	0	42	-1.0	-53.89	360.88	7.26	-46.63
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903536	1	42	-1.0	-53.91	360.93	7.29	-46.62
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1OC(F)F	REAL300019903537	0	34	-1.0	-57.85	299.36	0.86	-56.99
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1OC(F)F	REAL300019903537	1	34	-1.0	-57.83	299.30	0.84	-56.99
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903538	0	50	-1.0	-60.73	386.17	7.80	-52.93
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903538	1	50	-1.0	-60.71	386.23	7.83	-52.88
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NN=C1C1=CC=CC=C1	REAL300019903539	0	40	-1.0	-50.37	329.04	4.65	-45.72
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NN=C1C1=CC=CC=C1	REAL300019903539	1	40	-1.0	-50.38	329.10	4.66	-45.72
N#CC1=CC=C(C(=O)NCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903540	0	38	-1.0	-49.64	334.41	2.84	-46.80
N#CC1=CC=C(C(=O)NCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903540	1	38	-1.0	-49.63	334.47	2.87	-46.76
CC1=CC(C)=NC(=O)N1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903541	0	38	-1.0	-61.40	317.01	2.10	-59.30
CC1=CC(C)=NC(=O)N1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903541	1	38	-1.0	-61.40	317.07	2.13	-59.27
CC1=C(Br)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)N1	REAL300019903542	0	33	-1.0	-61.31	302.69	1.85	-59.46
CC1=C(Br)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)N1	REAL300019903542	1	33	-1.0	-61.32	302.75	1.86	-59.46
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903543	0	38	-2.0	-105.41	328.41	0.58	-104.83
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903543	1	38	-2.0	-105.44	328.47	0.61	-104.83
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903544	0	44	-1.0	-59.80	376.90	1.69	-58.11
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903544	1	44	-1.0	-59.77	376.95	1.72	-58.05
O=C(C1=CC=CC(I)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903545	0	30	-2.0	-113.71	284.41	3.91	-109.80
O=C(C1=CC=CC(I)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903545	1	30	-2.0	-113.68	284.47	3.94	-109.74
O=C(C1=CC=CC(I)=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903545	1	31	-1.0	-37.16	279.89	2.66	-34.50
O=C(C1=CC=CC(I)=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903545	1	31	-1.0	-37.19	279.96	2.66	-34.53
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903546	0	41	-1.0	-60.12	355.83	0.84	-59.28
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903546	1	41	-1.0	-60.13	355.89	0.87	-59.26
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903547	0	37	-1.0	-52.98	336.84	6.46	-46.52
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903547	1	37	-1.0	-53.00	336.92	6.47	-46.53
CC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903548	0	33	-1.0	-50.85	293.39	4.81	-46.04
CC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903548	1	33	-1.0	-50.83	293.45	4.84	-45.99
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019903549	0	38	-1.0	-48.36	324.11	5.58	-42.78
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019903549	1	38	-1.0	-48.37	324.16	5.61	-42.76
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903550	0	40	-1.0	-59.98	332.18	6.29	-53.69
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903550	1	40	-1.0	-59.97	332.12	6.27	-53.70
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903551	0	41	-1.0	-48.27	348.61	6.11	-42.16
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903551	1	41	-1.0	-48.26	348.66	6.14	-42.12
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903552	0	38	-1.0	-54.97	331.82	5.02	-49.95
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903552	1	38	-1.0	-55.00	331.88	5.05	-49.95
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903553	0	51	-1.0	-61.87	394.05	6.44	-55.43
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903553	1	51	-1.0	-61.94	394.11	6.46	-55.48
O=C(C1=COC(C2CCOCC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903554	0	40	-1.0	-50.83	327.43	0.95	-49.88
O=C(C1=COC(C2CCOCC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903554	1	40	-1.0	-50.85	327.49	0.96	-49.89
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903555	0	41	-2.0	-117.78	353.18	0.79	-116.99
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903555	1	41	-2.0	-117.74	353.24	0.82	-116.92
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903555	1	42	-1.0	-59.17	358.34	-0.30	-59.47
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903555	1	42	-1.0	-59.16	358.40	-0.29	-59.45
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903556	0	43	-1.0	-51.44	343.70	3.43	-48.01
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903556	1	43	-1.0	-51.39	343.64	3.40	-47.99
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019903557	0	39	-1.0	-48.36	361.70	4.99	-43.37
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019903557	1	39	-1.0	-48.33	361.64	4.97	-43.36
COC1=CC=C(C(=O)CCCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903558	0	48	-1.0	-54.51	393.24	6.17	-48.34
COC1=CC=C(C(=O)CCCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903558	1	48	-1.0	-54.48	393.29	6.19	-48.29
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019903559	0	45	-1.0	-62.16	379.05	3.70	-58.46
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019903559	1	45	-1.0	-62.19	379.11	3.73	-58.46
CC1=CC(Cl)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL300019903560	0	36	-1.0	-54.14	304.70	5.24	-48.90
CC1=CC(Cl)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL300019903560	1	36	-1.0	-54.12	304.76	5.25	-48.87
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903561	0	35	-1.0	-49.93	294.65	4.55	-45.38
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903561	1	35	-1.0	-49.91	294.70	4.57	-45.34
CC(C)C1CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCO1	REAL300019903562	0	46	-1.0	-51.94	347.80	4.75	-47.19
CC(C)C1CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCO1	REAL300019903562	1	46	-1.0	-51.95	347.86	4.78	-47.17
CC1=C(C(=O)NCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CO1	REAL300019903563	0	37	-1.0	-50.60	315.27	1.23	-49.37
CC1=C(C(=O)NCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CO1	REAL300019903563	1	37	-1.0	-50.58	315.33	1.26	-49.32
O=C(CSC1=NN=C2C=CC=CN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903564	0	36	-1.0	-57.17	323.14	5.69	-51.48
O=C(CSC1=NN=C2C=CC=CN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903564	1	36	-1.0	-57.15	323.08	5.66	-51.49
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903565	0	40	-2.0	-129.26	355.01	4.38	-124.88
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903565	1	40	-2.0	-129.24	355.07	4.39	-124.85
CC1=CC=C(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)S2)O1	REAL300019903566	0	37	-1.0	-53.25	326.74	5.33	-47.92
CC1=CC=C(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)S2)O1	REAL300019903566	1	37	-1.0	-53.25	326.80	5.35	-47.90
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019904202	0	40	-1.0	-63.17	337.94	0.91	-62.26
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019904202	1	40	-1.0	-63.20	338.00	0.94	-62.26
COC(CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904203	0	40	-1.0	-55.47	328.26	5.35	-50.12
COC(CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904203	1	40	-1.0	-55.47	328.32	5.38	-50.09
O=C(C1=CC=C2OC(F)(F)OC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904204	0	33	-1.0	-47.70	290.30	2.64	-45.06
O=C(C1=CC=C2OC(F)(F)OC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904204	1	33	-1.0	-47.67	290.36	2.67	-45.00
CCCOC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(OC)=C1	REAL300019904205	0	44	-1.0	-56.86	352.52	4.91	-51.95
CCCOC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(OC)=C1	REAL300019904205	1	44	-1.0	-56.92	352.57	4.94	-51.98
CC1=CC=CC(CNC(=O)C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)=C1	REAL300019904206	0	50	-1.0	-41.61	404.29	5.88	-35.73
CC1=CC=CC(CNC(=O)C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)=C1	REAL300019904206	1	50	-1.0	-41.67	404.36	5.88	-35.79
CCOC(=O)C1=C(C)NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904207	0	40	-1.0	-54.58	333.31	4.01	-50.57
CCOC(=O)C1=C(C)NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904207	1	40	-1.0	-54.57	333.37	4.02	-50.55
CC(=O)NC[C@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC(C)C	REAL300019904208	0	48	-1.0	-53.29	367.54	4.20	-49.09
CC(=O)NC[C@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC(C)C	REAL300019904208	1	48	-1.0	-53.31	367.59	4.22	-49.09
O=C(C1CCC1C1=CC=C(Cl)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904209	0	40	-1.0	-49.28	336.11	6.75	-42.53
O=C(C1CCC1C1=CC=C(Cl)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904209	1	40	-1.0	-49.32	336.12	6.78	-42.54
CCOCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904210	0	39	-1.0	-53.14	331.23	2.00	-51.14
CCOCC1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904210	1	39	-1.0	-53.17	331.28	2.03	-51.14
O=C(C1=COC2=C1C(=O)CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904211	0	36	-1.0	-68.38	298.90	4.35	-64.03
O=C(C1=COC2=C1C(=O)CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904211	1	36	-1.0	-68.37	298.95	4.37	-64.00
O=C(CC1=NC(C2=CC=CC=C2)=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904212	0	39	-1.0	-60.00	342.48	5.42	-54.58
O=C(CC1=NC(C2=CC=CC=C2)=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904212	1	39	-1.0	-59.96	342.42	5.40	-54.56
CC=CCOC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904213	0	44	-1.0	-57.10	365.25	6.34	-50.76
CC=CCOC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904213	1	44	-1.0	-57.10	365.30	6.36	-50.74
CN(C)C1=NC(Cl)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904214	0	34	-1.0	-56.89	305.58	2.85	-54.04
CN(C)C1=NC(Cl)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904214	1	34	-1.0	-56.88	305.52	2.83	-54.05
O=C(OCC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1	REAL300019904215	0	44	-1.0	-50.81	375.65	6.44	-44.37
O=C(OCC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1	REAL300019904215	1	44	-1.0	-50.79	375.70	6.46	-44.33
O=C(C1=NN(CCC2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904216	0	43	-1.0	-56.55	360.04	6.63	-49.92
O=C(C1=NN(CCC2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904216	1	43	-1.0	-56.52	359.99	6.61	-49.91
O=C(C1CCN(C2=CC=CC=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904217	0	42	-1.0	-52.92	331.13	4.25	-48.67
O=C(C1CCN(C2=CC=CC=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904217	1	42	-1.0	-52.97	331.19	4.27	-48.70
O=C(C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904218	0	39	-1.0	-50.65	339.44	4.72	-45.93
O=C(C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904218	1	39	-1.0	-50.64	339.49	4.73	-45.91
CC1=NN=NN1C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL300019904219	0	38	-1.0	-42.73	316.87	3.18	-39.55
CC1=NN=NN1C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL300019904219	1	38	-1.0	-42.73	316.94	3.17	-39.56
O=C(CC1=C(C2=CC=CC=C2)N=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904220	0	39	-1.0	-55.04	335.23	5.09	-49.95
O=C(CC1=C(C2=CC=CC=C2)N=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904220	1	39	-1.0	-54.99	335.18	5.07	-49.92
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904221	0	46	-1.0	-62.68	393.00	4.66	-58.02
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904221	1	46	-1.0	-62.67	393.06	4.68	-57.99
O=C(C1=CC=NN1CC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904222	0	33	-1.0	-52.53	289.38	2.75	-49.78
O=C(C1=CC=NN1CC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904222	1	33	-1.0	-52.54	289.32	2.73	-49.81
O=C(C1=CC(Cl)=C(Br)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904223	0	30	-1.0	-36.70	282.45	4.31	-32.39
O=C(C1=CC(Cl)=C(Br)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904223	1	30	-1.0	-36.72	282.51	4.31	-32.41
COC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904224	0	39	-1.0	-55.75	334.04	5.34	-50.41
COC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904224	1	39	-1.0	-55.77	334.10	5.36	-50.41
COC1=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1O	REAL300019904225	0	38	-1.0	-55.95	319.52	1.80	-54.15
COC1=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1O	REAL300019904225	1	38	-1.0	-55.97	319.58	1.82	-54.15
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904226	0	40	-1.0	-57.57	335.42	5.59	-51.98
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904226	1	40	-1.0	-57.58	335.47	5.61	-51.97
CCN(CC)C1=CC=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C(=O)OC2=C1	REAL300019904227	0	49	-1.0	-59.69	401.97	7.49	-52.20
CCN(CC)C1=CC=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C(=O)OC2=C1	REAL300019904227	1	49	-1.0	-59.73	402.02	7.51	-52.22
O=C(C1=CC=C(C(F)(F)F)C(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904228	0	33	-1.0	-47.52	293.93	2.14	-45.38
O=C(C1=CC=C(C(F)(F)F)C(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904228	1	33	-1.0	-47.50	293.97	2.19	-45.31
O=C(CCC1=CC=CC=C1N1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904229	0	49	-1.0	-52.62	385.98	4.91	-47.71
O=C(CCC1=CC=CC=C1N1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904229	1	49	-1.0	-52.64	386.03	4.93	-47.71
O=C(C1=CN=C(F)C(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904230	0	29	-1.0	-46.37	272.62	2.32	-44.05
O=C(C1=CN=C(F)C(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904230	1	29	-1.0	-46.35	272.57	2.30	-44.05
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904231	0	43	-1.0	-52.73	355.38	5.02	-47.71
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904231	1	43	-1.0	-52.74	355.43	5.04	-47.70
N#CC1=C(F)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL300019904232	0	31	-1.0	-47.14	283.35	4.01	-43.13
N#CC1=C(F)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL300019904232	1	31	-1.0	-47.14	283.41	4.04	-43.10
O=C(C1=CN(CC(O)CO)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904233	0	38	-1.0	-60.33	319.48	-3.44	-63.77
O=C(C1=CN(CC(O)CO)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904233	1	38	-1.0	-60.33	319.42	-3.45	-63.78
O=C(C1=CC=C(I)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904234	0	30	-1.0	-38.76	277.41	4.25	-34.51
O=C(C1=CC=C(I)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904234	1	30	-1.0	-38.77	277.47	4.27	-34.50
O=C(C1=CC(Cl)=C(F)C=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904235	0	30	-1.0	-35.15	280.66	4.36	-30.79
O=C(C1=CC(Cl)=C(F)C=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904235	1	30	-1.0	-35.14	280.73	4.35	-30.79
O=C(C1=NN(CCN2C=CC=N2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904236	0	40	-1.0	-56.91	341.06	3.83	-53.08
O=C(C1=NN(CCN2C=CC=N2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904236	1	40	-1.0	-56.84	341.00	3.82	-53.02
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904237	0	52	-1.0	-51.77	395.56	5.38	-46.39
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904237	1	52	-1.0	-51.77	395.64	5.39	-46.38
CCN1N=C(C)C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL300019904238	0	42	-1.0	-58.52	341.91	4.28	-54.24
CCN1N=C(C)C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL300019904238	1	42	-1.0	-58.50	341.97	4.30	-54.20
O=C(C1=CC2=CC=CC(F)=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904239	0	35	-1.0	-48.88	292.05	3.36	-45.52
O=C(C1=CC2=CC=CC(F)=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904239	1	35	-1.0	-48.94	291.76	3.40	-45.54
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904240	0	37	-1.0	-54.24	334.96	6.73	-47.51
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904240	1	37	-1.0	-54.28	335.01	6.74	-47.54
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904241	0	45	-1.0	-58.96	361.67	4.95	-54.01
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904241	1	45	-1.0	-58.98	361.72	4.97	-54.01
CSC1=NC=C(Br)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904242	0	32	-1.0	-48.50	303.09	3.70	-44.80
CSC1=NC=C(Br)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904242	1	32	-1.0	-48.50	303.03	3.67	-44.83
O=C(C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904243	0	43	-1.0	-57.07	361.29	7.42	-49.65
O=C(C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904243	1	43	-1.0	-57.07	361.34	7.45	-49.62
COC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904244	0	37	-1.0	-53.74	318.46	4.86	-48.88
COC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904244	1	37	-1.0	-53.71	318.52	4.89	-48.82
CCC1=C(Br)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904245	0	33	-1.0	-51.51	304.88	4.73	-46.78
CCC1=C(Br)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904245	1	33	-1.0	-51.51	304.94	4.75	-46.76
CC1=CC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1F	REAL300019904246	0	37	-1.0	-52.28	314.91	5.86	-46.42
CC1=CC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1F	REAL300019904246	1	37	-1.0	-52.30	314.97	5.88	-46.42
O=C(CC1=CSC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904247	0	30	-1.0	-52.19	288.69	4.16	-48.03
O=C(CC1=CSC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904247	1	30	-1.0	-52.18	288.75	4.17	-48.01
O=C(C1=CN(CCC2=CC=CC=C2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904248	0	42	-1.0	-50.79	355.65	5.17	-45.62
O=C(C1=CN(CCC2=CC=CC=C2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904248	1	42	-1.0	-50.76	355.59	5.15	-45.61
O=C(C1CCC(OCC2CCCO2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904249	0	51	-1.0	-52.82	387.79	4.23	-48.59
O=C(C1CCC(OCC2CCCO2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904249	1	51	-1.0	-52.80	387.85	4.26	-48.54
O=C(C1=CC=C2C(=C1)NC(=O)CNC2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904250	0	39	-1.0	-56.23	325.18	-0.45	-56.68
O=C(C1=CC=C2C(=C1)NC(=O)CNC2=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904250	1	39	-1.0	-56.22	325.23	-0.42	-56.64
CN(C)C1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904251	0	38	-1.0	-53.19	323.48	4.54	-48.65
CN(C)C1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904251	1	38	-1.0	-53.19	323.54	4.57	-48.62
CN(C)C1=CC(C#N)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904252	0	39	-1.0	-51.80	323.03	4.31	-47.49
CN(C)C1=CC(C#N)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904252	1	39	-1.0	-51.81	323.09	4.34	-47.47
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=NN1C1=NN(C)C=C1	REAL300019904253	0	39	-1.0	-54.81	329.13	3.38	-51.43
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=NN1C1=NN(C)C=C1	REAL300019904253	1	39	-1.0	-54.85	329.07	3.36	-51.49
C[NH+](C)CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904254	0	45	0.0	-85.23	351.54	6.29	-78.94
C[NH+](C)CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904254	1	45	0.0	-85.22	351.59	6.32	-78.90
O=C(C(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904255	0	46	-1.0	-45.28	358.26	3.20	-42.08
O=C(C(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904255	1	46	-1.0	-45.24	358.31	3.23	-42.01
O=C(C1=NN(C2=CC=C(Br)C=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904256	0	37	-1.0	-54.42	334.37	5.99	-48.43
O=C(C1=NN(C2=CC=C(Br)C=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904256	1	37	-1.0	-54.42	334.31	5.96	-48.46
COC1=CC=CC(C(=O)CCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904257	0	45	-1.0	-67.93	371.82	5.38	-62.55
COC1=CC=CC(C(=O)CCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904257	1	45	-1.0	-67.91	371.88	5.41	-62.50
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL300019904258	0	38	-1.0	-55.62	316.46	3.52	-52.10
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL300019904258	1	38	-1.0	-55.60	316.40	3.51	-52.09
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904259	0	40	-2.0	-129.26	355.01	4.38	-124.88
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904259	1	40	-2.0	-129.24	355.07	4.39	-124.85
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904260	0	37	-2.0	-128.39	336.56	3.93	-124.46
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904260	1	37	-2.0	-128.32	336.62	3.96	-124.36
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904261	0	37	-2.0	-127.97	329.68	3.60	-124.37
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904261	1	37	-2.0	-127.95	329.74	3.62	-124.33
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(C(F)(F)F)=N1	REAL300019904262	0	32	-1.0	-46.84	295.08	2.43	-44.41
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(C(F)(F)F)=N1	REAL300019904262	1	32	-1.0	-46.84	295.14	2.46	-44.38
COC(=O)C1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904263	0	36	-1.0	-50.82	326.78	4.80	-46.02
COC(=O)C1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904263	1	36	-1.0	-50.80	326.84	4.83	-45.97
O=C(CC1=CNC2=CC=CC(Cl)=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904264	0	37	-1.0	-59.27	323.84	5.08	-54.19
O=C(CC1=CNC2=CC=CC(Cl)=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904264	1	37	-1.0	-59.26	323.89	5.11	-54.15
COC1=CC(Br)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1OC	REAL300019904265	0	38	-1.0	-51.95	326.88	3.39	-48.56
COC1=CC(Br)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1OC	REAL300019904265	1	38	-1.0	-51.94	326.94	3.41	-48.53
N#CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300019904266	0	33	-1.0	-35.72	297.83	2.39	-33.33
N#CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300019904266	1	33	-1.0	-35.72	297.77	2.41	-33.31
CC(C)C(=O)NC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL300019904267	0	42	-1.0	-54.68	344.15	3.70	-50.98
CC(C)C(=O)NC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL300019904267	1	42	-1.0	-54.65	344.09	3.67	-50.98
O=C(C1=CC=C(OC(F)F)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904268	0	34	-1.0	-42.64	296.64	2.90	-39.74
O=C(C1=CC=C(OC(F)F)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904268	1	34	-1.0	-42.80	289.16	2.72	-40.08
CC1CCCN(C2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=N2)C1	REAL300019904269	0	47	-1.0	-53.27	362.42	4.85	-48.42
CC1CCCN(C2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=N2)C1	REAL300019904269	1	47	-1.0	-53.30	362.36	4.82	-48.48
CN1C=C(Br)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904270	0	30	-1.0	-56.51	276.54	2.63	-53.88
CN1C=C(Br)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904270	1	30	-1.0	-56.49	276.49	2.60	-53.89
O=C(C1=CC=CC([N+](=O)[O-])=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904271	0	32	-1.0	-56.68	290.25	4.57	-52.11
O=C(C1=CC=CC([N+](=O)[O-])=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904271	1	32	-1.0	-56.73	290.31	4.59	-52.14
CN(CC=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC(F)(F)F	REAL300019904272	0	38	-1.0	-52.88	323.15	2.46	-50.42
CN(CC=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC(F)(F)F	REAL300019904272	1	38	-1.0	-52.90	323.21	2.49	-50.41
O=C(C1=CN=C(OC2CCOCC2)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904273	0	44	-1.0	-49.80	368.50	2.17	-47.63
O=C(C1=CN=C(OC2CCOCC2)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904273	1	44	-1.0	-49.81	368.44	2.14	-47.67
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300019904274	0	39	-1.0	-54.59	322.59	3.77	-50.82
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300019904274	1	39	-1.0	-54.59	322.65	3.79	-50.80
CC1(C)C(=O)NC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL300019904275	0	41	-1.0	-39.75	328.26	2.56	-37.19
CC1(C)C(=O)NC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL300019904275	1	41	-1.0	-39.74	328.32	2.56	-37.18
CC(C)(C)CCC1(O)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904276	0	49	-1.0	-56.49	368.91	4.78	-51.71
CC(C)(C)CCC1(O)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904276	1	49	-1.0	-56.49	368.96	4.80	-51.69
O=C(C1=C(C2=CC=CC=C2)N=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904277	0	36	-1.0	-55.62	305.76	2.29	-53.33
O=C(C1=C(C2=CC=CC=C2)N=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904277	1	36	-1.0	-55.62	305.70	2.26	-53.36
CS(=O)(=O)CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019904278	0	42	-1.0	-57.68	356.35	2.60	-55.08
CS(=O)(=O)CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019904278	1	42	-1.0	-57.65	356.41	2.62	-55.03
O=C(C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904279	0	39	-1.0	-53.70	344.73	6.09	-47.61
O=C(C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904279	1	39	-1.0	-53.69	344.67	6.07	-47.62
CCOC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL300019904280	0	38	-1.0	-50.78	325.37	4.33	-46.45
CCOC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL300019904280	1	38	-1.0	-50.78	325.31	4.31	-46.47
CC1=CC(Cl)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019904281	0	35	-1.0	-41.72	303.32	4.82	-36.90
CC1=CC(Cl)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019904281	1	35	-1.0	-41.74	303.38	4.81	-36.93
O=C(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL300019904282	0	40	-1.0	-51.99	349.05	5.97	-46.02
O=C(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL300019904282	1	40	-1.0	-51.99	349.10	6.00	-45.99
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCC[C@H]3C3=N[N-]N=N3)[C@H]2C1	REAL300019904283	0	48	-1.0	-51.08	379.20	5.13	-45.95
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCC[C@H]3C3=NN=N[N-]3)[C@H]2C1	REAL300019904283	1	48	-1.0	-51.10	379.25	5.14	-45.96
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1OCCC2=C1C=CS2	REAL300019904284	0	41	-1.0	-55.95	332.16	4.99	-50.96
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1OCCC2=C1C=CS2	REAL300019904284	1	41	-1.0	-55.93	332.21	5.02	-50.91
O=C(C1=NOC(CN2CCCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904285	0	41	-1.0	-51.90	334.40	2.30	-49.60
O=C(C1=NOC(CN2CCCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904285	1	41	-1.0	-51.90	334.46	2.33	-49.57
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904285	1	42	0.0	-73.24	336.45	4.81	-68.43
O=C(C1=CC(Cl)=C(F)C=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904286	0	30	-1.0	-35.43	276.93	4.24	-31.19
O=C(C1=CC(Cl)=C(F)C=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904286	1	30	-1.0	-35.42	276.99	4.24	-31.18
COC1=CC(Cl)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904287	0	34	-1.0	-51.63	296.91	3.35	-48.28
COC1=CC(Cl)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904287	1	34	-1.0	-51.63	296.97	3.38	-48.25
C#CCCOC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904288	0	39	-1.0	-41.95	323.61	4.64	-37.31
C#CCCOC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904288	1	39	-1.0	-41.98	323.67	4.62	-37.36
CN1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1I	REAL300019904289	0	30	-1.0	-50.10	280.72	2.23	-47.87
CN1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1I	REAL300019904289	1	30	-1.0	-50.07	280.66	2.21	-47.86
O=C(COC1=CC=C(Cl)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904290	0	34	-1.0	-52.88	310.76	5.15	-47.73
O=C(COC1=CC=C(Cl)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904290	1	34	-1.0	-52.94	310.81	5.18	-47.76
COC1=CC=CC(N2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=N2)=C1	REAL300019904291	0	40	-1.0	-52.36	338.37	3.21	-49.15
COC1=CC=CC(N2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=N2)=C1	REAL300019904291	1	40	-1.0	-52.36	338.31	3.18	-49.18
O=C(C1=C(Cl)SC(Cl)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904292	0	26	-1.0	-48.53	269.71	2.65	-45.88
O=C(C1=C(Cl)SC(Cl)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904292	1	26	-1.0	-48.51	269.65	2.63	-45.88
O=C(CCN1C(=O)CCNC1=S)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904293	0	38	-1.0	-65.70	326.18	2.87	-62.83
O=C(CCN1C(=O)CCNC1=S)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904293	1	38	-1.0	-65.69	326.23	2.90	-62.79
NS(=O)(=O)N1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904294	0	40	-1.0	-54.33	323.74	-2.33	-56.66
NS(=O)(=O)N1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904294	1	40	-1.0	-54.35	323.80	-2.30	-56.65
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904295	0	37	-1.0	-55.97	320.14	-2.63	-58.60
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904295	1	37	-1.0	-55.92	320.20	-2.62	-58.54
O=C(C1=CC=NC(C2=NC=CN2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904296	0	36	-1.0	-60.28	306.33	2.24	-58.04
O=C(C1=CC=NC(C2=NC=CN2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904296	1	36	-1.0	-60.29	306.27	2.22	-58.07
O=C(CN1N=NC2=C1CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904297	0	39	-1.0	-57.97	317.26	3.09	-54.88
O=C(CN1N=NC2=C1CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904297	1	39	-1.0	-58.01	317.31	3.11	-54.90
O=C(CC1CCCS(=O)(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904298	0	39	-1.0	-67.92	317.85	0.99	-66.93
O=C(CC1CCCS(=O)(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904298	1	39	-1.0	-67.92	317.91	1.02	-66.90
COCCOCCC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN1	REAL300019904299	0	44	-1.0	-55.44	367.00	1.73	-53.71
COCCOCCC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN1	REAL300019904299	1	44	-1.0	-55.45	367.06	1.75	-53.70
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N2C=C(Cl)C=CC2=N1	REAL300019904300	0	39	-1.0	-53.20	344.87	5.99	-47.21
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N2C=C(Cl)C=CC2=N1	REAL300019904300	1	39	-1.0	-53.20	344.93	6.00	-47.20
O=C(C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904301	0	40	-1.0	-51.29	354.05	6.78	-44.51
O=C(C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904301	1	40	-1.0	-51.29	354.10	6.81	-44.48
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC2=CC=C(Br)C=C21	REAL300019904302	0	36	-1.0	-50.77	324.30	6.10	-44.67
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC2=CC=C(Br)C=C21	REAL300019904302	1	36	-1.0	-50.74	324.36	6.13	-44.61
CC(OCC1=CC=NC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904303	0	39	-1.0	-58.97	324.84	3.81	-55.16
CC(OCC1=CC=NC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904303	1	39	-1.0	-58.96	324.90	3.82	-55.14
O=C(C1=CC2=C(F)C=CC(F)=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904304	0	35	-1.0	-45.99	297.81	3.36	-42.63
O=C(C1=CC2=C(F)C=CC(F)=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904304	1	35	-1.0	-46.01	297.73	3.38	-42.63
O=C(C1=CC2=CC=CC=C2C(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904305	0	36	-1.0	-53.47	316.17	6.33	-47.14
O=C(C1=CC2=CC=CC=C2C(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904305	1	36	-1.0	-53.49	316.23	6.35	-47.14
O=C(C1CCCN(C2=CC=CC=C2)C1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904306	0	44	-1.0	-65.11	357.11	5.58	-59.53
O=C(C1CCCN(C2=CC=CC=C2)C1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904306	1	44	-1.0	-65.14	357.16	5.60	-59.54
NC(=O)C1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904307	0	40	-1.0	-54.88	335.18	2.26	-52.62
NC(=O)C1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904307	1	40	-1.0	-54.94	335.23	2.29	-52.65
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N(C(=O)OC(C)(C)C)C1CC1	REAL300019904308	0	50	-1.0	-56.19	372.68	4.77	-51.42
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N(C(=O)OC(C)(C)C)C1CC1	REAL300019904308	1	50	-1.0	-56.21	372.73	4.78	-51.43
CN1N=CC(I)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904309	0	30	-1.0	-45.33	288.73	2.70	-42.63
CN1N=CC(I)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904309	1	30	-1.0	-45.30	288.67	2.69	-42.61
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC2=CC=C(C#N)C=C12	REAL300019904310	0	37	-1.0	-53.01	323.89	5.87	-47.14
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC2=CC=C(C#N)C=C12	REAL300019904310	1	37	-1.0	-53.01	323.95	5.90	-47.11
CC(C)(C)OC(=O)N1CCCC1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904311	0	53	-1.0	-60.17	407.77	5.59	-54.58
CC(C)(C)OC(=O)N1CCCC1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904311	1	53	-1.0	-60.21	407.82	5.61	-54.60
O=C(C1=CN2C(Br)=CN=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904312	0	30	-1.0	-47.09	292.06	4.01	-43.08
O=C(C1=CN2C(Br)=CN=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904312	1	30	-1.0	-47.12	292.00	4.00	-43.12
COCCOCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904313	0	44	-1.0	-45.82	354.82	2.99	-42.83
COCCOCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904313	1	44	-1.0	-45.82	354.90	2.99	-42.83
O=C(C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904314	0	45	-1.0	-53.52	383.25	8.08	-45.44
O=C(C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904314	1	45	-1.0	-53.52	383.31	8.10	-45.42
O=C(C1=CC=C2C(=O)CCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904315	0	39	-1.0	-45.10	309.19	4.63	-40.47
O=C(C1=CC=C2C(=O)CCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904315	1	39	-1.0	-45.05	309.26	4.62	-40.43
O=C(C1=CC=CC(F)=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904316	0	30	-1.0	-53.75	276.17	4.20	-49.55
O=C(C1=CC=CC(F)=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904316	1	30	-1.0	-53.79	276.23	4.22	-49.57
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904317	0	41	-1.0	-53.97	345.70	3.89	-50.08
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904317	1	41	-1.0	-53.98	345.76	3.92	-50.06
O=C(C1=CN(C2=CC=NC=C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904318	0	36	-1.0	-53.01	305.34	2.99	-50.02
O=C(C1=CN(C2=CC=NC=C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904318	1	36	-1.0	-52.99	305.40	3.00	-49.99
O=C(C1=NOC(CN2C=CC=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904319	0	36	-1.0	-58.77	314.73	3.29	-55.48
O=C(C1=NOC(CN2C=CC=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904319	1	36	-1.0	-58.81	314.78	3.32	-55.49
CC1=CC=C2SN=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=C1	REAL300019904320	0	35	-1.0	-54.40	303.57	4.91	-49.49
CC1=CC=C2SN=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=C1	REAL300019904320	1	35	-1.0	-54.40	303.51	4.88	-49.52
NC1=CC=CC=C1S(=O)(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904321	0	40	-1.0	-57.14	343.79	-1.39	-58.53
NC1=CC=CC=C1S(=O)(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904321	1	40	-1.0	-57.16	343.85	-1.36	-58.52
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300019904322	0	36	-1.0	-51.31	312.14	5.50	-45.81
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300019904322	1	36	-1.0	-51.33	312.19	5.53	-45.80
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(F)C(Br)=C1	REAL300019904323	0	39	-1.0	-52.37	341.07	6.56	-45.81
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(F)C(Br)=C1	REAL300019904323	1	39	-1.0	-52.38	341.13	6.58	-45.80
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904324	0	43	-1.0	-53.69	355.04	4.31	-49.38
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904324	1	43	-1.0	-53.73	355.10	4.33	-49.40
O=C(CC1=C(Br)C=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904325	0	30	-1.0	-51.70	288.93	4.32	-47.38
O=C(CC1=C(Br)C=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904325	1	30	-1.0	-51.69	288.99	4.35	-47.34
COC1=CC=CC(OCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904326	0	41	-1.0	-51.99	338.61	3.60	-48.39
COC1=CC=CC(OCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904326	1	41	-1.0	-52.02	338.67	3.62	-48.40
O=C(C1=CN=C(OC2CCCCC2)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904327	0	46	-1.0	-49.11	377.55	4.56	-44.55
O=C(C1=CN=C(OC2CCCCC2)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904327	1	46	-1.0	-49.08	377.50	4.53	-44.55
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904328	0	41	-1.0	-60.69	336.23	3.86	-56.83
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904328	1	41	-1.0	-60.69	336.29	3.89	-56.80
CN1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C1N2	REAL300019904329	0	46	-1.0	-44.69	349.71	2.48	-42.21
CN1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C1N2	REAL300019904329	1	46	-1.0	-44.69	349.76	2.48	-42.21
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C1N2	REAL300019904329	1	47	0.0	-63.98	357.29	5.31	-58.67
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C1N2	REAL300019904329	1	47	0.0	-65.32	358.41	5.36	-59.96
CC(C)(C)OC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL300019904330	0	42	-1.0	-52.39	328.97	3.74	-48.65
CC(C)(C)OC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL300019904330	1	42	-1.0	-52.39	328.91	3.71	-48.68
O=C(C1=CNC(C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904331	0	31	-1.0	-55.56	278.02	2.48	-53.08
O=C(C1=CNC(C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904331	1	31	-1.0	-55.53	278.08	2.50	-53.03
CC1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=C2C=C1	REAL300019904332	0	38	-1.0	-54.22	316.17	5.54	-48.68
CC1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=C2C=C1	REAL300019904332	1	38	-1.0	-54.25	316.11	5.51	-48.74
COC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1C	REAL300019904333	0	37	-1.0	-50.64	307.02	3.64	-47.00
COC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1C	REAL300019904333	1	37	-1.0	-50.65	307.08	3.66	-46.99
CCS(=O)(=O)NC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904334	0	37	-1.0	-64.39	311.86	-1.62	-66.01
CCS(=O)(=O)NC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904334	1	37	-1.0	-64.39	311.92	-1.61	-66.00
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904335	0	35	-2.0	-105.23	302.79	1.91	-103.32
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904335	1	35	-2.0	-105.21	302.85	1.92	-103.29
CC1=CC(=O)NC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C12	REAL300019904336	0	39	-1.0	-54.92	320.32	3.16	-51.76
CC1=CC(=O)NC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C12	REAL300019904336	1	39	-1.0	-54.89	320.37	3.18	-51.71
O=C(CC1=CC=CC(Cl)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904337	0	33	-1.0	-58.30	300.90	5.20	-53.10
O=C(CC1=CC=CC(Cl)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904337	1	33	-1.0	-58.33	300.96	5.23	-53.10
CCC1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCN1C(=O)OC(C)(C)C	REAL300019904338	0	53	-1.0	-58.24	389.01	5.54	-52.70
CCC1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL300019904338	1	53	-1.0	-58.32	389.05	5.55	-52.77
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904339	0	34	-1.0	-45.99	311.82	2.81	-43.18
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904339	1	34	-1.0	-45.98	311.87	2.84	-43.14
O=C(C1=CC=C(C2CCCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904340	0	43	-1.0	-53.36	334.26	6.72	-46.64
O=C(C1=CC=C(C2CCCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904340	1	43	-1.0	-53.37	334.32	6.75	-46.62
O=C(C1CCN(C2=CC=CC=C2Cl)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904341	0	42	-1.0	-51.29	339.89	4.56	-46.73
O=C(C1CCN(C2=CC=CC=C2Cl)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904341	1	42	-1.0	-51.28	339.95	4.59	-46.69
CC1=CC=C2SC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=C1	REAL300019904342	0	36	-1.0	-53.09	310.51	5.66	-47.43
CC1=CC=C2SC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=C1	REAL300019904342	1	36	-1.0	-53.08	310.57	5.68	-47.40
O=C(CCCC1=CC=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904343	0	39	-1.0	-53.49	334.78	6.62	-46.87
O=C(CCCC1=CC=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904343	1	39	-1.0	-53.51	334.83	6.65	-46.86
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904344	0	45	-1.0	-67.22	358.60	5.63	-61.59
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904344	1	45	-1.0	-67.22	358.65	5.65	-61.57
O=C(COC1=CC(F)=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904345	0	34	-1.0	-53.54	301.00	4.72	-48.82
O=C(COC1=CC(F)=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904345	1	34	-1.0	-53.53	301.05	4.75	-48.78
O=C(C1CCN(C2=CC=CC=C2F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904346	0	42	-1.0	-51.73	331.53	4.00	-47.73
O=C(C1CCN(C2=CC=CC=C2F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904346	1	42	-1.0	-51.71	331.59	4.03	-47.68
COC(=O)CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=CO1	REAL300019904347	0	39	-1.0	-52.85	334.54	4.05	-48.80
COC(=O)CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=CO1	REAL300019904347	1	39	-1.0	-52.85	334.60	4.08	-48.77
O=C(C1=CC=C(C2=CCCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904348	0	41	-1.0	-42.45	332.01	6.57	-35.88
O=C(C1=CC=C(C2=CCCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904348	1	41	-1.0	-41.50	324.89	6.37	-35.13
CC(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL300019904349	0	42	-1.0	-50.33	334.20	6.07	-44.26
CC(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL300019904349	1	42	-1.0	-50.34	334.26	6.10	-44.24
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904350	0	51	-1.0	-59.46	410.82	8.78	-50.68
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904350	1	51	-1.0	-59.46	410.87	8.81	-50.65
O=C(C1=CON=C1C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904351	0	29	-1.0	-54.53	264.01	2.16	-52.37
O=C(C1=CON=C1C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904351	1	29	-1.0	-54.52	263.95	2.14	-52.38
CN(C)C1=NC(N)=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904352	0	37	-1.0	-55.96	311.53	5.13	-50.83
CN(C)C1=NC(N)=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904352	1	37	-1.0	-55.93	311.47	5.10	-50.83
CS(=O)(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(Cl)C=N1	REAL300019904353	0	35	-1.0	-53.02	322.41	-0.30	-53.32
CS(=O)(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(Cl)C=N1	REAL300019904353	1	35	-1.0	-53.01	322.36	-0.32	-53.33
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904354	0	39	-1.0	-62.74	338.68	3.65	-59.09
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904354	1	39	-1.0	-62.76	338.74	3.67	-59.09
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904355	0	57	-1.0	-58.74	435.03	6.98	-51.76
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904355	1	57	-1.0	-58.72	435.08	7.00	-51.72
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904356	0	52	-1.0	-52.99	397.53	2.77	-50.22
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904356	1	52	-1.0	-52.94	397.59	2.80	-50.14
CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904357	0	36	-1.0	-58.41	310.48	-2.52	-60.93
CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904357	1	36	-1.0	-58.41	310.52	-2.49	-60.90
CC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(Br)S1	REAL300019904358	0	29	-1.0	-52.74	278.38	2.86	-49.88
CC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(Br)S1	REAL300019904358	1	29	-1.0	-52.75	278.44	2.89	-49.86
O=C(C1=CN=C2NC(=O)NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904359	0	33	-1.0	-51.09	281.16	-0.41	-51.50
O=C(C1=CN=C2NC(=O)NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904359	1	33	-1.0	-51.13	281.22	-0.39	-51.52
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904360	0	38	-1.0	-49.64	336.85	6.17	-43.47
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904360	1	38	-1.0	-49.65	336.80	6.14	-43.51
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904361	0	32	-1.0	-35.89	279.77	2.43	-33.46
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904361	1	32	-1.0	-35.88	279.70	2.42	-33.46
CS(=O)(=O)C1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904362	0	34	-1.0	-53.86	305.23	-1.75	-55.61
CS(=O)(=O)C1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904362	1	34	-1.0	-53.86	305.17	-1.78	-55.64
CC1=CSC(NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)=N1	REAL300019904363	0	41	-1.0	-53.43	347.88	4.64	-48.79
CC1=CSC(NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)=N1	REAL300019904363	1	41	-1.0	-53.42	347.82	4.61	-48.81
NC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NC(N2CCOCC2)=N1	REAL300019904364	0	42	-1.0	-55.43	343.06	3.10	-52.33
NC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NC(N2CCOCC2)=N1	REAL300019904364	1	42	-1.0	-55.42	343.00	3.07	-52.35
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904365	0	35	-1.0	-51.40	310.41	0.63	-50.77
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904365	1	35	-1.0	-51.43	310.35	0.60	-50.83
O=C(C1=CN(C2CCOCC2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904366	0	40	-1.0	-50.48	325.40	1.37	-49.11
O=C(C1=CN(C2CCOCC2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904366	1	40	-1.0	-50.50	325.35	1.34	-49.16
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904367	0	44	-1.0	-69.04	354.92	0.58	-68.46
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904367	1	44	-1.0	-69.04	354.97	0.60	-68.44
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904368	0	49	-1.0	-54.70	381.98	4.11	-50.59
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904368	1	49	-1.0	-54.69	382.04	4.14	-50.55
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300019904369	0	44	-1.0	-61.64	339.39	2.88	-58.76
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300019904369	1	44	-1.0	-61.62	339.45	2.89	-58.73
O=C(C1=CNC(C2=CC=CC=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904370	0	37	-1.0	-54.79	314.12	4.85	-49.94
O=C(C1=CNC(C2=CC=CC=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904370	1	37	-1.0	-54.72	314.18	4.88	-49.84
O=C(C1=NC2=CC=CC=C2C=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904371	0	35	-1.0	-55.17	307.25	5.41	-49.76
O=C(C1=NC2=CC=CC=C2C=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904371	1	35	-1.0	-55.10	307.20	5.38	-49.72
O=C(C1=CC(C(F)(F)F)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904372	0	29	-1.0	-43.59	271.93	2.29	-41.30
O=C(C1=CC(C(F)(F)F)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904372	1	29	-1.0	-43.57	271.87	2.26	-41.31
O=C(C1=NC2=CN=CC=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904373	0	31	-1.0	-50.28	281.85	2.21	-48.07
O=C(C1=NC2=CN=CC=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904373	1	31	-1.0	-50.30	281.79	2.18	-48.12
CCOC(=O)C(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)=O	REAL300019904374	0	40	-1.0	-48.02	331.63	3.91	-44.11
CCOC(=O)C(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)=O	REAL300019904374	1	40	-1.0	-48.07	331.69	3.94	-44.13
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904375	0	47	0.0	-78.69	351.73	5.79	-72.90
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904375	1	47	0.0	-78.74	351.78	5.81	-72.93
COC1=C(Cl)C=C2NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=C1	REAL300019904376	0	38	-1.0	-60.11	327.81	3.45	-56.66
COC1=C(Cl)C=C2NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=C1	REAL300019904376	1	38	-1.0	-60.12	327.87	3.48	-56.64
O=C(C1CC(C2=CC=CC=C2)OC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904377	0	40	-1.0	-60.14	328.78	5.57	-54.57
O=C(C1CC(C2=CC=CC=C2)OC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904377	1	40	-1.0	-60.13	328.84	5.59	-54.54
CC1=C2SC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=CC=C1	REAL300019904378	0	36	-1.0	-53.47	309.44	5.63	-47.84
CC1=C2SC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=CC=C1	REAL300019904378	1	36	-1.0	-53.49	309.50	5.65	-47.84
CN1N=NC(Br)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904379	0	29	-1.0	-44.63	276.59	0.69	-43.94
CN1N=NC(Br)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904379	1	29	-1.0	-44.62	276.53	0.67	-43.95
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904380	0	46	0.0	-65.65	354.92	6.70	-58.95
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904380	1	46	0.0	-64.92	358.03	6.79	-58.13
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904380	1	46	0.0	-65.63	354.87	6.68	-58.95
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904380	1	46	0.0	-64.90	357.98	6.76	-58.14
O=C(C1=NC=C(Br)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904381	0	26	-1.0	-46.82	261.50	2.33	-44.49
O=C(C1=NC=C(Br)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904381	1	26	-1.0	-46.80	261.44	2.30	-44.50
O=C(C1=CC=CC2=C1NC(=O)C=C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904382	0	36	-1.0	-64.55	300.69	2.89	-61.66
O=C(C1=CC=CC2=C1NC(=O)C=C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904382	1	36	-1.0	-64.55	300.63	2.87	-61.68
O=C(CCOC1=CC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904383	0	43	-1.0	-52.50	355.20	6.57	-45.93
O=C(CCOC1=CC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904383	1	43	-1.0	-52.47	355.26	6.60	-45.87
O=C(C1=NC2=CC=CC=C2C=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904384	0	35	-1.0	-54.43	310.98	5.52	-48.91
O=C(C1=NC2=CC=CC=C2C=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904384	1	35	-1.0	-54.43	310.92	5.49	-48.94
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904385	0	43	-1.0	-57.28	359.88	7.61	-49.67
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904385	1	43	-1.0	-57.27	359.94	7.63	-49.64
O=C(C1=CC=C2NC(=O)CSC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904386	0	36	-1.0	-53.09	310.68	2.59	-50.50
O=C(C1=CC=C2NC(=O)CSC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904386	1	36	-1.0	-53.11	310.74	2.62	-50.49
CCCC1=NN=C(SCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1N	REAL300019904387	0	41	-1.0	-54.22	356.26	3.76	-50.46
CCCC1=NN=C(SCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1N	REAL300019904387	1	41	-1.0	-54.22	356.32	3.79	-50.43
CC1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300019904388	0	53	-1.0	-53.43	396.13	5.27	-48.16
CC1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300019904388	1	53	-1.0	-53.44	396.19	5.29	-48.15
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019904389	0	38	-1.0	-61.03	326.14	5.97	-55.06
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019904389	1	38	-1.0	-61.01	326.20	5.99	-55.02
CC1(C)COC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL300019904390	0	41	-1.0	-54.00	327.41	4.51	-49.49
CC1(C)COC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL300019904390	1	41	-1.0	-54.01	327.47	4.54	-49.47
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=N1	REAL300019904391	0	35	-1.0	-53.09	309.81	3.84	-49.25
CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=N1	REAL300019904391	1	35	-1.0	-53.13	309.87	3.87	-49.26
O=C(C1CCOC(C2=CC=CC=C2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904392	0	42	-1.0	-61.07	338.80	5.08	-55.99
O=C(C1CCOC(C2=CC=CC=C2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904392	1	42	-1.0	-61.10	338.85	5.10	-56.00
CN1N=NC2=C1CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC2	REAL300019904393	0	39	-1.0	-53.35	309.76	2.38	-50.97
CN1N=NC2=C1CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC2	REAL300019904393	1	39	-1.0	-53.34	309.82	2.41	-50.93
COC1=CC=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NN=C21	REAL300019904394	0	37	-1.0	-54.43	306.46	2.03	-52.40
COC1=CC=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NN=C21	REAL300019904394	1	37	-1.0	-54.42	306.41	2.01	-52.41
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904395	0	37	-2.0	-131.61	319.83	3.41	-128.20
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904395	1	37	-2.0	-131.57	319.89	3.44	-128.13
CC(C)(C)OC(=O)N1CC(C(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904396	0	47	-1.0	-59.36	375.33	3.91	-55.45
CC(C)(C)OC(=O)N1CC(C(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904396	1	47	-1.0	-59.35	375.39	3.94	-55.41
CC1=NC(Cl)=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904397	0	32	-1.0	-44.38	297.85	3.33	-41.05
CC1=NC(Cl)=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904397	1	32	-1.0	-44.40	297.91	3.34	-41.06
CC1=NOC(CN2N=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2C)=C1	REAL300019904398	0	41	-1.0	-54.18	345.64	2.98	-51.20
CC1=NOC(CN2N=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2C)=C1	REAL300019904398	1	41	-1.0	-54.20	345.70	3.01	-51.19
CC(C)(C)C1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019904399	0	40	-1.0	-48.87	322.26	3.52	-45.35
CC(C)(C)C1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019904399	1	40	-1.0	-48.86	322.21	3.49	-45.37
CCOC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904400	0	39	-1.0	-51.63	327.95	5.17	-46.46
CCOC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904400	1	39	-1.0	-51.63	328.01	5.19	-46.44
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC2=CC(F)=CC=C21	REAL300019904401	0	36	-1.0	-50.26	309.40	5.55	-44.71
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC2=CC(F)=CC=C21	REAL300019904401	1	36	-1.0	-50.28	309.46	5.58	-44.70
O=C(C(O)C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904402	0	34	-1.0	-50.68	298.61	2.90	-47.78
O=C(C(O)C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904402	1	34	-1.0	-50.66	298.66	2.91	-47.75
O=C(C1=C(O)C=NC2=C(Br)C=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904403	0	36	-1.0	-50.54	329.80	2.07	-48.47
O=C(C1=C(O)C=NC2=C(Br)C=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904403	1	36	-1.0	-50.54	329.85	2.09	-48.45
O=C(C1=C([O-])C=NC2=C(Br)C=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904403	1	35	-2.0	-106.26	326.23	2.84	-103.42
O=C(C1=C([O-])C=NC2=C(Br)C=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904403	1	35	-2.0	-106.24	326.29	2.86	-103.38
O=C(C1=CN=NC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904404	0	38	-1.0	-49.93	317.68	4.22	-45.71
O=C(C1=CN=NC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904404	1	38	-1.0	-49.94	317.74	4.24	-45.70
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904405	0	44	-1.0	-53.94	350.26	5.94	-48.00
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904405	1	44	-1.0	-53.92	350.32	5.97	-47.95
CN1C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN=C1C1=CC=CC=C1	REAL300019904406	0	42	-1.0	-60.19	349.21	6.02	-54.17
CN1C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN=C1C1=CC=CC=C1	REAL300019904406	1	42	-1.0	-60.15	349.27	6.04	-54.11
CC(=O)C1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=C(C)C=C2O1	REAL300019904407	0	44	-1.0	-60.71	367.93	6.29	-54.42
CC(=O)C1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=C(C)C=C2O1	REAL300019904407	1	44	-1.0	-60.68	367.98	6.31	-54.37
O=C(CCSC1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904408	0	37	-1.0	-52.94	336.18	6.45	-46.49
O=C(CCSC1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904408	1	37	-1.0	-52.94	336.24	6.48	-46.46
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904409	0	47	-1.0	-55.06	381.26	5.01	-50.05
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904409	1	47	-1.0	-55.14	381.31	5.02	-50.12
O=C(C1=CN=CC(C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904410	0	32	-1.0	-48.09	284.70	2.78	-45.31
O=C(C1=CN=CC(C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904410	1	32	-1.0	-48.04	284.64	2.77	-45.27
O=C(C(O)C1=CC=C(Cl)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904411	0	34	-1.0	-47.47	298.53	2.76	-44.71
O=C(C(O)C1=CC=C(Cl)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904411	1	34	-1.0	-47.46	298.58	2.77	-44.69
O=C(C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904412	0	43	-1.0	-46.59	367.73	8.18	-38.41
O=C(C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904412	1	43	-1.0	-46.59	367.67	8.19	-38.40
O=C(C1=CC(Cl)=NC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904413	0	29	-1.0	-46.66	281.45	2.82	-43.84
O=C(C1=CC(Cl)=NC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904413	1	29	-1.0	-46.70	281.39	2.80	-43.90
O=C(C1=CC2=C(N1)SC(Cl)=C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904414	0	31	-1.0	-49.58	290.89	3.75	-45.83
O=C(C1=CC2=C(N1)SC(Cl)=C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904414	1	31	-1.0	-49.55	290.95	3.77	-45.78
COC(C)(C)C1=NC(C)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904415	0	42	-1.0	-51.34	342.53	2.18	-49.16
COC(C)(C)C1=NC(C)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904415	1	42	-1.0	-51.35	342.59	2.20	-49.15
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904416	0	36	-1.0	-53.64	322.40	3.51	-50.13
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904416	1	36	-1.0	-53.68	322.45	3.54	-50.14
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904417	0	36	-1.0	-52.93	336.14	3.93	-49.00
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904417	1	36	-1.0	-52.95	336.20	3.96	-48.99
O=C([C@@H]1C[C@H]1C1=CC=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904418	0	37	-1.0	-58.00	311.75	6.00	-52.00
O=C([C@@H]1C[C@H]1C1=CC=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904418	1	37	-1.0	-57.99	311.81	6.03	-51.96
O=C([C@@H]1C[C@H]1C1=CC=CC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904419	0	37	-1.0	-53.41	327.56	6.59	-46.82
O=C([C@@H]1C[C@H]1C1=CC=CC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904419	1	37	-1.0	-53.41	327.62	6.61	-46.80
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904420	0	51	-1.0	-59.46	410.82	8.78	-50.68
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904420	1	51	-1.0	-59.46	410.87	8.81	-50.65
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=NC2=C(N)N=CN=C21	REAL300019904421	0	39	-1.0	-53.34	324.65	3.26	-50.08
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=NC2=C(N)N=CN=C21	REAL300019904421	1	39	-1.0	-53.41	324.70	3.28	-50.13
O=C(CC(C1=CC=C(O)C=C1)C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904422	0	44	-1.0	-51.13	356.79	4.55	-46.58
O=C(CC(C1=CC=C(O)C=C1)C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904422	1	44	-1.0	-51.15	356.85	4.57	-46.58
O=C(C1CCC2=NN=NN2CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904423	0	38	-1.0	-62.73	306.00	2.14	-60.59
O=C(C1CCC2=NN=NN2CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904423	1	38	-1.0	-62.75	306.05	2.16	-60.59
CC1(C2=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)S2)OCCO1	REAL300019904424	0	38	-1.0	-54.21	326.53	0.97	-53.24
CC1(C2=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)S2)OCCO1	REAL300019904424	1	38	-1.0	-54.19	326.47	0.95	-53.24
O=C(CCCC(O)C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904425	0	43	-1.0	-55.53	350.95	3.89	-51.64
O=C(CCCC(O)C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904425	1	43	-1.0	-55.48	351.01	3.91	-51.57
O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904426	0	47	-1.0	-54.94	365.50	4.66	-50.28
O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904426	1	47	-1.0	-54.93	365.55	4.69	-50.24
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904427	0	41	-1.0	-55.85	335.77	5.27	-50.58
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904427	1	41	-1.0	-55.86	335.83	5.30	-50.56
O=C(C1=CC=C(I)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904428	0	29	-1.0	-49.01	276.38	3.84	-45.17
O=C(C1=CC=C(I)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904428	1	29	-1.0	-48.98	276.32	3.82	-45.16
CC(C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL300019904429	0	39	-1.0	-55.48	325.67	5.72	-49.76
CC(C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL300019904429	1	39	-1.0	-55.45	325.72	5.75	-49.70
CC1=NC2=CC=CC=C2C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904430	0	38	-1.0	-52.67	311.76	4.56	-48.11
CC1=NC2=CC=CC=C2C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904430	1	38	-1.0	-52.66	311.71	4.55	-48.11
CC1=CC=C(OC2=CC=CC=C2CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904431	0	47	-1.0	-61.08	387.39	8.13	-52.95
CC1=CC=C(OC2=CC=CC=C2CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904431	1	47	-1.0	-61.12	387.45	8.16	-52.96
O=C(C1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904432	0	43	-1.0	-49.57	358.12	3.03	-46.54
O=C(C1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904432	1	43	-1.0	-49.55	358.18	3.04	-46.51
O=C([C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904433	0	40	-1.0	-58.97	339.57	6.78	-52.19
O=C([C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904433	1	40	-1.0	-58.94	339.63	6.80	-52.14
O=C([C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904434	0	40	-1.0	-51.68	344.98	6.98	-44.70
O=C([C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904434	1	40	-1.0	-51.69	345.04	7.01	-44.68
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904435	0	41	-1.0	-62.80	350.55	2.32	-60.48
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904435	1	41	-1.0	-62.78	350.61	2.35	-60.43
O=C(COCC1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904436	0	37	-1.0	-57.63	330.48	5.59	-52.04
O=C(COCC1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904436	1	37	-1.0	-57.63	330.54	5.62	-52.01
CC1=CC=C(OC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=C2)C=C1	REAL300019904437	0	43	-1.0	-51.65	358.65	6.25	-45.40
CC1=CC=C(OC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=C2)C=C1	REAL300019904437	1	43	-1.0	-51.67	358.59	6.22	-45.45
O=C(C1=CC(Br)=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904438	0	27	-1.0	-50.41	257.59	2.67	-47.74
O=C(C1=CC(Br)=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904438	1	27	-1.0	-50.39	257.65	2.70	-47.69
O=C(C1=CC=C(NC2=NC=CS2)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904439	0	38	-1.0	-41.87	324.87	3.59	-38.28
O=C(C1=CC=C(NC2=NC=CS2)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904439	1	38	-1.0	-41.84	324.79	3.59	-38.25
O=C(C1=CC=C(OC2=CC=CC(F)=C2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904440	0	40	-1.0	-52.69	344.25	5.72	-46.97
O=C(C1=CC=C(OC2=CC=CC(F)=C2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904440	1	40	-1.0	-52.74	344.19	5.69	-47.05
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)N1NC(N)=O	REAL300019904441	0	40	-1.0	-61.43	326.26	0.30	-61.13
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)N1NC(N)=O	REAL300019904441	1	40	-1.0	-61.44	326.32	0.33	-61.11
CCON1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904442	0	45	-1.0	-53.45	351.25	3.69	-49.76
CCON1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904442	1	45	-1.0	-53.47	351.31	3.72	-49.75
CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL300019904443	0	43	-1.0	-50.87	359.01	6.41	-44.46
CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL300019904443	1	43	-1.0	-50.87	358.96	6.38	-44.49
O=C(CC1=CC=CC=C1OC1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904444	0	47	-1.0	-57.22	372.10	6.92	-50.30
O=C(CC1=CC=CC=C1OC1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904444	1	47	-1.0	-57.18	372.16	6.95	-50.23
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904445	0	40	-1.0	-52.18	354.56	6.17	-46.01
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904445	1	40	-1.0	-52.18	354.50	6.14	-46.04
COC1=CC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300019904446	0	41	-1.0	-53.33	355.09	5.55	-47.78
COC1=CC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300019904446	1	41	-1.0	-53.30	355.15	5.58	-47.72
CC1=CC=CC(OC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=C2)=C1	REAL300019904447	0	43	-1.0	-52.11	359.24	6.33	-45.78
CC1=CC=CC(OC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=C2)=C1	REAL300019904447	1	43	-1.0	-52.07	359.18	6.30	-45.77
CC1=CC(C(=O)OC(C)(C)C)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904448	0	48	-1.0	-53.59	381.78	6.90	-46.69
CC1=CC(C(=O)OC(C)(C)C)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904448	1	48	-1.0	-53.60	381.84	6.93	-46.67
O=C(C=CC1=CC=C(C2CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904449	0	41	-1.0	-53.32	337.43	7.26	-46.06
O=C(C=CC1=CC=C(C2CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904449	1	41	-1.0	-53.31	337.49	7.28	-46.03
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904450	0	37	-1.0	-51.44	327.54	6.60	-44.84
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904450	1	37	-1.0	-51.40	327.59	6.63	-44.77
CC1=CC(Br)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904451	0	30	-1.0	-53.19	281.02	3.89	-49.30
CC1=CC(Br)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904451	1	30	-1.0	-53.19	281.08	3.91	-49.28
COC(=O)C1=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC=N1	REAL300019904452	0	38	-1.0	-55.37	329.30	0.79	-54.58
COC(=O)C1=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC=N1	REAL300019904452	1	38	-1.0	-55.35	329.24	0.76	-54.59
O=C(C1=C(Br)N=C2CCCCN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904453	0	37	-1.0	-56.33	324.03	4.41	-51.92
O=C(C1=C(Br)N=C2CCCCN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904453	1	37	-1.0	-56.32	324.09	4.42	-51.90
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904454	0	41	-1.0	-38.30	343.94	4.73	-33.57
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904454	1	41	-1.0	-38.35	344.00	4.73	-33.62
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904455	0	46	0.0	-64.33	346.40	5.75	-58.58
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904455	1	46	0.0	-64.35	346.35	5.72	-58.63
COC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300019904456	0	43	-1.0	-62.92	370.57	-0.06	-62.98
COC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300019904456	1	43	-1.0	-62.88	370.63	-0.04	-62.92
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904457	0	35	-2.0	-106.43	298.45	-2.07	-108.50
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904457	1	35	-2.0	-106.39	298.49	-2.07	-108.46
NS(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904457	1	36	-1.0	-59.83	315.47	-3.22	-63.05
NS(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904457	1	36	-1.0	-59.85	315.53	-3.20	-63.05
NS(=O)(=O)C1=CC=C(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904458	0	39	-1.0	-61.12	342.35	-0.46	-61.58
NS(=O)(=O)C1=CC=C(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904458	1	39	-1.0	-61.10	342.41	-0.43	-61.53
NS(=O)(=O)C1=CC=C(SCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904459	0	39	-1.0	-58.14	351.95	0.11	-58.03
NS(=O)(=O)C1=CC=C(SCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904459	1	39	-1.0	-58.17	352.01	0.14	-58.03
NS(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL300019904460	0	35	-1.0	-52.10	316.26	-0.92	-53.02
NS(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL300019904460	1	35	-1.0	-52.09	316.31	-0.90	-52.99
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904461	0	38	-1.0	-54.00	336.63	3.41	-50.59
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904461	1	38	-1.0	-53.99	336.69	3.44	-50.55
CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904462	0	50	0.0	-68.01	366.22	3.35	-64.66
CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904462	1	50	0.0	-68.00	366.28	3.37	-64.63
CCOC(CN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1)OCC	REAL300019904463	0	47	-1.0	-54.85	379.35	3.03	-51.82
CCOC(CN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1)OCC	REAL300019904463	1	47	-1.0	-54.81	379.29	3.00	-51.81
CCC1(CN2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=N2)COC1	REAL300019904464	0	43	-1.0	-52.69	345.94	2.15	-50.54
CCC1(CN2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=N2)COC1	REAL300019904464	1	43	-1.0	-52.72	345.88	2.13	-50.59
CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904465	0	53	0.0	-69.83	387.70	4.15	-65.68
CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904465	1	53	0.0	-69.87	387.76	4.18	-65.69
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904466	0	31	-1.0	-46.64	283.15	1.86	-44.78
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904466	1	31	-1.0	-46.64	283.09	1.84	-44.80
O=C(C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904467	0	39	-1.0	-52.69	365.25	5.31	-47.38
O=C(C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904467	1	39	-1.0	-52.68	365.20	5.28	-47.40
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904468	0	44	-1.0	-65.72	349.31	3.97	-61.75
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904468	1	44	-1.0	-65.69	349.37	3.99	-61.70
CNC1=NC=NC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL300019904469	0	39	-1.0	-54.73	321.63	3.77	-50.96
CNC1=NC=NC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL300019904469	1	39	-1.0	-54.73	321.57	3.75	-50.98
O=C(C1=CC(F)=CC(N2CCOCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904470	0	43	-1.0	-41.29	341.62	2.12	-39.17
O=C(C1=CC(F)=CC(N2CCOCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904470	1	43	-1.0	-41.27	341.69	2.11	-39.16
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Br	REAL300019904471	0	30	-1.0	-52.59	277.63	2.43	-50.16
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Br	REAL300019904471	1	30	-1.0	-52.58	277.57	2.40	-50.18
COC1=CC(Cl)=C(F)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904472	0	34	-1.0	-54.65	302.66	3.41	-51.24
COC1=CC(Cl)=C(F)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904472	1	34	-1.0	-54.62	302.71	3.44	-51.18
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904473	0	40	-1.0	-53.11	335.46	5.45	-47.66
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904473	1	40	-1.0	-53.12	335.52	5.47	-47.65
C[C@H](C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C(=O)C2=CC=CC=C2C1=O	REAL300019904474	0	40	-1.0	-63.01	335.57	5.18	-57.83
C[C@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300019904474	1	40	-1.0	-62.99	335.63	5.20	-57.79
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300019904475	0	39	-1.0	-57.34	313.22	6.36	-50.98
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300019904475	1	39	-1.0	-57.37	313.17	6.34	-51.03
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904476	0	43	-1.0	-50.48	357.76	5.43	-45.05
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904476	1	43	-1.0	-50.49	357.82	5.44	-45.05
O=C(C1CC1(F)C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904477	0	37	-1.0	-54.25	308.65	5.88	-48.37
O=C(C1CC1(F)C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904477	1	37	-1.0	-54.26	308.71	5.91	-48.35
O=C(C1=C(Br)N=C2CCCN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904478	0	34	-1.0	-53.48	306.44	3.85	-49.63
O=C(C1=C(Br)N=C2CCCN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904478	1	34	-1.0	-53.45	306.50	3.88	-49.57
CN1C=C(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)O2)C=N1	REAL300019904479	0	37	-1.0	-55.14	320.59	3.68	-51.46
CN1C=C(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)O2)C=N1	REAL300019904479	1	37	-1.0	-55.15	320.53	3.66	-51.49
O=C(C1CCC2=NN=C(C3=CC=CC=C3)N2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904480	0	46	-1.0	-54.61	363.70	6.93	-47.68
O=C(C1CCC2=NN=C(C3=CC=CC=C3)N2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904480	1	46	-1.0	-54.64	363.76	6.95	-47.69
O=C(CC1=CC2=CC(Cl)=CC=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904481	0	37	-1.0	-55.70	327.96	5.07	-50.63
O=C(CC1=CC2=CC(Cl)=CC=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904481	1	37	-1.0	-55.71	328.02	5.09	-50.62
CC1=CC=CC(C2=NN=C3CCC(C(=O)N4CCC[C@H]4C4=N[N-]N=N4)CN32)=C1	REAL300019904482	0	49	-1.0	-55.27	389.89	7.76	-47.51
CC1=CC=CC(C2=NN=C3CCC(C(=O)N4CCC[C@H]4C4=NN=N[N-]4)CN32)=C1	REAL300019904482	1	49	-1.0	-55.28	389.95	7.78	-47.50
N#CC1=C(Br)C=CC=C1OCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904483	0	35	-1.0	-67.68	328.08	5.49	-62.19
N#CC1=C(Br)C=CC=C1OCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904483	1	35	-1.0	-67.72	328.13	5.52	-62.20
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904484	0	40	-1.0	-51.10	330.13	4.99	-46.11
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904484	1	40	-1.0	-51.09	330.08	4.98	-46.11
CC(C)(C)OC(=O)NCCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL300019904485	0	52	-1.0	-54.59	422.25	1.92	-52.67
CC(C)(C)OC(=O)NCCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL300019904485	1	52	-1.0	-54.60	422.20	1.90	-52.70
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904486	0	47	-1.0	-54.95	364.41	6.06	-48.89
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904486	1	47	-1.0	-54.94	364.46	6.09	-48.85
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019904487	0	42	0.0	-76.98	333.78	3.52	-73.46
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019904487	1	42	0.0	-76.99	333.72	3.50	-73.49
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904488	0	40	-1.0	-51.84	344.48	6.67	-45.17
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904488	1	40	-1.0	-51.86	344.54	6.70	-45.16
CCC(O)(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019904489	0	43	-1.0	-48.91	335.21	4.33	-44.58
CCC(O)(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019904489	1	43	-1.0	-48.91	335.27	4.36	-44.55
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=C(Cl)C=CC=C12	REAL300019904490	0	37	-1.0	-50.55	318.55	5.26	-45.29
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=C(Cl)C=CC=C12	REAL300019904490	1	37	-1.0	-50.55	318.61	5.27	-45.28
CN1N=CC(Br)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904491	0	30	-1.0	-45.97	282.26	2.23	-43.74
CN1N=CC(Br)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904491	1	30	-1.0	-45.92	282.20	2.22	-43.70
CC1=CC=CC(CS(=O)(=O)CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904492	0	45	-1.0	-56.22	385.64	3.83	-52.39
CC1=CC=CC(CS(=O)(=O)CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904492	1	45	-1.0	-56.24	385.70	3.85	-52.39
O=C(C1=C(C2=CC=CC=C2)C=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904493	0	38	-1.0	-56.22	313.70	5.62	-50.60
O=C(C1=C(C2=CC=CC=C2)C=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904493	1	38	-1.0	-56.21	313.64	5.61	-50.60
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904494	0	37	-1.0	-52.41	338.23	6.95	-45.46
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904494	1	37	-1.0	-52.39	338.29	6.96	-45.43
O=C(C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904495	0	47	-1.0	-50.52	387.59	6.25	-44.27
O=C(C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904495	1	47	-1.0	-50.51	387.64	6.28	-44.23
O=C(CC1CSC2=CC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904496	0	39	-1.0	-57.06	331.96	6.01	-51.05
O=C(CC1CSC2=CC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904496	1	39	-1.0	-57.05	332.02	6.03	-51.02
O=C(C1=CC=CC(CC2=CC=CC=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904497	0	43	-1.0	-56.30	353.53	8.00	-48.30
O=C(C1=CC=CC(CC2=CC=CC=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904497	1	43	-1.0	-56.32	353.59	8.03	-48.29
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904498	0	49	0.0	-73.39	370.67	7.31	-66.08
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904498	1	49	0.0	-73.39	370.72	7.33	-66.06
CC(C)OC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019904499	0	42	-1.0	-49.71	346.06	5.83	-43.88
CC(C)OC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019904499	1	42	-1.0	-49.73	346.12	5.86	-43.87
CC1=CC=CC=C1N1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL300019904500	0	39	-1.0	-51.51	329.96	4.80	-46.71
CC1=CC=CC=C1N1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL300019904500	1	39	-1.0	-51.52	329.90	4.77	-46.75
CCOC1=CC=C(CC(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904501	0	46	-1.0	-51.83	363.12	5.87	-45.96
CCOC1=CC=C(CC(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904501	1	46	-1.0	-51.83	363.17	5.88	-45.95
O=C([C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904502	0	39	-1.0	-53.20	334.46	6.65	-46.55
O=C([C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904502	1	39	-1.0	-53.19	334.51	6.67	-46.52
CC1(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300019904503	0	44	-1.0	-57.13	344.27	5.38	-51.75
CC1(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300019904503	1	44	-1.0	-57.14	344.32	5.40	-51.74
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=C1CCCC2	REAL300019904504	0	40	-1.0	-59.43	317.21	4.31	-55.12
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=C1CCCC2	REAL300019904504	1	40	-1.0	-59.42	317.26	4.34	-55.08
CCC(CC)OC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904505	0	46	-1.0	-52.68	355.73	5.82	-46.86
CCC(CC)OC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904505	1	46	-1.0	-52.70	355.78	5.83	-46.87
O=C(CC1=CC=CC=C1OC1CCOC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904506	0	45	-1.0	-62.34	363.37	4.37	-57.97
O=C(CC1=CC=CC=C1OC1CCOC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904506	1	45	-1.0	-62.36	363.43	4.40	-57.96
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904507	0	41	-1.0	-55.69	355.63	5.52	-50.17
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904507	1	41	-1.0	-55.69	355.69	5.54	-50.15
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904508	0	39	-1.0	-63.70	343.62	3.27	-60.43
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904508	1	39	-1.0	-63.73	343.68	3.29	-60.44
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904509	0	38	-1.0	-56.74	327.10	6.36	-50.38
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904509	1	38	-1.0	-56.76	327.16	6.38	-50.38
O=C(C1=CSC(C2CCCCC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904510	0	42	-1.0	-52.17	343.37	5.37	-46.80
O=C(C1=CSC(C2CCCCC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904510	1	42	-1.0	-52.15	343.42	5.39	-46.76
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904511	0	37	-1.0	-51.56	322.97	6.50	-45.06
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904511	1	37	-1.0	-51.52	323.03	6.52	-45.00
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904512	0	41	-1.0	-57.41	334.62	5.33	-52.08
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904512	1	41	-1.0	-57.42	334.68	5.35	-52.07
CCC1=CC=CC=C1N1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL300019904513	0	42	-1.0	-51.33	343.36	5.39	-45.94
CCC1=CC=CC=C1N1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL300019904513	1	42	-1.0	-51.37	343.30	5.37	-46.00
O=C(C(O)C1=CC=CC([N+](=O)[O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904514	0	36	-1.0	-50.46	309.29	3.04	-47.42
O=C(C(O)C1=CC=CC([N+](=O)[O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904514	1	36	-1.0	-50.46	309.34	3.06	-47.40
O=C(C1=CN(C2=CC=CN=C2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904515	0	35	-1.0	-51.38	303.94	2.13	-49.25
O=C(C1=CN(C2=CC=CN=C2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904515	1	35	-1.0	-51.37	303.88	2.11	-49.26
O=C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300019904516	0	29	-1.0	-44.96	285.57	3.61	-41.35
O=C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300019904516	1	29	-1.0	-44.98	285.63	3.63	-41.35
O=C(C1=COC(C2=C(F)C=CC=C2F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904517	0	36	-1.0	-55.49	320.81	3.61	-51.88
O=C(C1=COC(C2=C(F)C=CC=C2F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904517	1	36	-1.0	-55.46	320.75	3.59	-51.87
O=C(C1=CC(=O)C2=CC=C(Cl)C=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904518	0	35	-1.0	-49.20	317.95	4.71	-44.49
O=C(C1=CC(=O)C2=CC=C(Cl)C=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904518	1	35	-1.0	-49.22	318.00	4.74	-44.48
CC(C)=CCOC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904519	0	47	-1.0	-57.67	382.83	6.92	-50.75
CC(C)=CCOC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904519	1	47	-1.0	-57.66	382.89	6.95	-50.71
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904520	0	47	-1.0	-61.50	380.07	7.75	-53.75
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904520	1	47	-1.0	-61.53	380.13	7.78	-53.75
O=C(C1=CC=C(S(=O)(=O)C2CCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904521	0	43	-1.0	-50.39	353.39	2.93	-47.46
O=C(C1=CC=C(S(=O)(=O)C2CCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904521	1	43	-1.0	-50.44	353.46	2.91	-47.53
COC1=CC=C2ON=C(CC(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=C1	REAL300019904522	0	39	-1.0	-58.61	332.16	3.27	-55.34
COC1=CC=C2ON=C(CC(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=C1	REAL300019904522	1	39	-1.0	-58.60	332.22	3.30	-55.30
O=C(CC1=NOC2=CC=C(F)C=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904523	0	35	-1.0	-59.18	309.10	4.05	-55.13
O=C(CC1=NOC2=CC=C(F)C=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904523	1	35	-1.0	-59.15	309.16	4.08	-55.07
COC1CCCCN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL300019904524	0	44	-1.0	-58.32	343.58	3.76	-54.56
COC1CCCCN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL300019904524	1	44	-1.0	-58.31	343.64	3.78	-54.53
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904525	0	50	-1.0	-56.74	395.40	3.45	-53.29
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904525	1	50	-1.0	-56.70	395.46	3.48	-53.22
CC(NC(=O)OC(C)(C)C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904526	0	53	-1.0	-55.98	416.09	4.87	-51.11
CC(NC(=O)OC(C)(C)C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904526	1	53	-1.0	-56.03	416.14	4.89	-51.14
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904527	0	47	-1.0	-58.52	380.00	7.67	-50.85
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904527	1	47	-1.0	-58.51	380.06	7.70	-50.81
O=C(C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904528	0	44	-1.0	-65.15	365.52	7.25	-57.90
O=C(C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904528	1	44	-1.0	-65.15	365.58	7.27	-57.88
CC1=CC=C(F)C(N2N=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C3=C2CCC3)=C1	REAL300019904529	0	47	-1.0	-61.20	388.78	8.02	-53.18
CC1=CC=C(F)C(N2N=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C3=C2CCC3)=C1	REAL300019904529	1	47	-1.0	-61.19	388.84	8.05	-53.14
CC1=CC=CC(F)=C1N1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=C1CCC2	REAL300019904530	0	47	-1.0	-59.40	382.16	7.99	-51.41
CC1=CC=CC(F)=C1N1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=C1CCC2	REAL300019904530	1	47	-1.0	-59.43	382.22	8.02	-51.41
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904531	0	44	-1.0	-56.91	366.55	7.24	-49.67
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904531	1	44	-1.0	-56.90	366.60	7.26	-49.64
CS(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904532	0	33	-1.0	-55.25	304.86	0.19	-55.06
CS(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904532	1	33	-1.0	-55.23	304.92	0.21	-55.02
CN1N=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300019904533	0	39	-1.0	-61.21	329.21	4.53	-56.68
CN1N=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300019904533	1	39	-1.0	-61.21	329.27	4.56	-56.65
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904534	0	38	-1.0	-53.07	317.20	5.52	-47.55
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904534	1	38	-1.0	-53.07	317.26	5.53	-47.54
CC(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL300019904535	0	41	-1.0	-52.57	325.06	5.05	-47.52
CC(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL300019904535	1	41	-1.0	-52.54	325.00	5.02	-47.52
O=C(C1=CC(=O)C2=CC(Br)=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904536	0	35	-1.0	-52.20	322.62	4.82	-47.38
O=C(C1=CC(=O)C2=CC(Br)=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904536	1	35	-1.0	-52.19	322.68	4.85	-47.34
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL300019904537	0	40	-1.0	-53.29	330.21	5.72	-47.57
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL300019904537	1	40	-1.0	-53.31	330.14	5.70	-47.61
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904538	0	43	-1.0	-55.17	356.78	5.07	-50.10
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904538	1	43	-1.0	-55.17	356.84	5.09	-50.08
CC1CCC(C)(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL300019904539	0	49	-1.0	-53.98	358.44	6.55	-47.43
CC1CCC(C)(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL300019904539	1	49	-1.0	-53.95	358.50	6.57	-47.38
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(SC2CCCC2)=N1	REAL300019904540	0	46	-1.0	-54.21	390.67	6.58	-47.63
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(SC2CCCC2)=N1	REAL300019904540	1	46	-1.0	-54.19	390.73	6.61	-47.58
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904541	0	33	-2.0	-116.73	295.18	3.83	-112.90
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904541	1	33	-2.0	-116.72	295.23	3.85	-112.87
O=C(C1=CC=CC(C(F)(F)F)=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904541	1	34	-1.0	-56.15	298.73	2.88	-53.27
O=C(C1=CC=CC(C(F)(F)F)=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904541	1	34	-1.0	-56.19	298.79	2.91	-53.28
CC(=O)NC(=CC1=CC=CS1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904542	0	38	-1.0	-65.62	322.48	4.00	-61.62
CC(=O)NC(=CC1=CC=CS1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904542	1	38	-1.0	-65.65	322.54	4.04	-61.61
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904543	0	35	-2.0	-103.58	307.45	1.23	-102.35
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904543	1	35	-2.0	-103.58	307.51	1.25	-102.33
COC(=O)C1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904544	0	35	-1.0	-59.52	303.72	3.42	-56.10
COC(=O)C1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904544	1	35	-1.0	-59.51	303.66	3.39	-56.12
CNC1=CC=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904545	0	35	-1.0	-54.27	301.34	2.84	-51.43
CNC1=CC=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904545	1	35	-1.0	-54.30	301.40	2.86	-51.44
CCOC(=O)C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019904546	0	42	-1.0	-64.95	347.73	6.79	-58.16
CCOC(=O)C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019904546	1	42	-1.0	-64.97	347.78	6.81	-58.16
O=C(C1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904547	0	36	-1.0	-45.09	318.96	1.00	-44.09
O=C(C1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904547	1	36	-1.0	-45.11	319.03	0.99	-44.12
O=C(CC1=NSC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904548	0	35	-1.0	-54.31	310.02	4.65	-49.66
O=C(CC1=NSC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904548	1	35	-1.0	-54.32	310.08	4.68	-49.64
O=C(CC1=NOC2=CC=C(Br)C=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904549	0	35	-1.0	-58.85	323.98	4.60	-54.25
O=C(CC1=NOC2=CC=C(Br)C=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904549	1	35	-1.0	-58.85	324.03	4.63	-54.22
CC1=CC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300019904550	0	40	-1.0	-51.88	342.54	6.67	-45.21
CC1=CC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300019904550	1	40	-1.0	-51.84	342.60	6.70	-45.14
O=C(CCSC1=C2N=CNC2=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904551	0	38	-1.0	-60.68	337.65	4.89	-55.79
O=C(CCSC1=C2N=CNC2=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904551	1	38	-1.0	-60.66	337.71	4.91	-55.75
CCOCN1N=C(C)C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL300019904552	0	46	-1.0	-58.63	376.87	3.00	-55.63
CCOCN1N=C(C)C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL300019904552	1	46	-1.0	-58.67	376.93	3.02	-55.65
CC(=CC1CCC(C)CC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904553	0	46	-1.0	-53.00	337.94	6.18	-46.82
CC(=CC1CCC(C)CC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904553	1	46	-1.0	-53.02	338.00	6.21	-46.81
CCOCN1N=C(C)C(CC(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL300019904554	0	52	-1.0	-55.78	407.72	3.89	-51.89
CCOCN1N=C(C)C(CC(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL300019904554	1	52	-1.0	-55.77	407.78	3.91	-51.86
COC1=CC2=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N2C=C1	REAL300019904555	0	37	-1.0	-54.55	304.53	3.21	-51.34
COC1=CC2=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N2C=C1	REAL300019904555	1	37	-1.0	-54.59	304.47	3.19	-51.40
COC1=CC=CC(S(=O)CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904556	0	39	-1.0	-56.51	339.25	2.07	-54.44
COC1=CC=CC(S(=O)CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904556	1	39	-1.0	-56.53	339.31	2.09	-54.44
O=C(C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904557	0	43	-1.0	-52.14	357.29	6.30	-45.84
O=C(C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904557	1	43	-1.0	-52.12	357.35	6.31	-45.81
CC1=C(Br)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904558	0	30	-1.0	-51.85	284.44	3.98	-47.87
CC1=C(Br)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904558	1	30	-1.0	-51.86	284.49	4.00	-47.86
CCC(CC1=CC=CC=C1C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904559	0	45	-1.0	-55.19	345.81	6.92	-48.27
CCC(CC1=CC=CC=C1C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904559	1	45	-1.0	-55.18	345.87	6.94	-48.24
CC1=CC(F)=CC(N2N=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C3=C2CCC3)=C1	REAL300019904560	0	47	-1.0	-56.19	386.26	7.84	-48.35
CC1=CC(F)=CC(N2N=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C3=C2CCC3)=C1	REAL300019904560	1	47	-1.0	-56.19	386.31	7.87	-48.32
O=C(CC1=CC=C(N2C=NN=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904561	0	39	-1.0	-56.83	330.21	7.67	-49.16
O=C(CC1=CC=C(N2C=NN=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904561	1	39	-1.0	-56.86	330.16	7.64	-49.22
O=C(CCC1=CC=CC(OC(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904562	0	40	-1.0	-53.04	339.89	5.06	-47.98
O=C(CCC1=CC=CC(OC(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904562	1	40	-1.0	-53.03	339.95	5.09	-47.94
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(Br)O1	REAL300019904563	0	30	-1.0	-48.58	276.29	3.20	-45.38
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(Br)O1	REAL300019904563	1	30	-1.0	-48.56	276.35	3.22	-45.34
CC(=O)NC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904564	0	40	-1.0	-55.69	335.39	3.57	-52.12
CC(=O)NC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904564	1	40	-1.0	-55.70	335.45	3.59	-52.11
C=C(Cl)CSC1=NC(C)=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904565	0	40	-1.0	-52.74	378.43	5.62	-47.12
C=C(Cl)CSC1=NC(C)=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904565	1	40	-1.0	-52.75	378.49	5.63	-47.12
COC(=O)N1CC2CCC1C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL300019904566	0	45	-1.0	-55.77	344.02	3.63	-52.14
COC(=O)N1CC2CCC1C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL300019904566	1	45	-1.0	-55.81	344.08	3.65	-52.16
COC(=O)N1CC2C=CC1C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL300019904567	0	43	-1.0	-67.76	335.50	4.41	-63.35
COC(=O)N1CC2C=CC1C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL300019904567	1	43	-1.0	-67.76	335.56	4.45	-63.31
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904568	0	50	-1.0	-51.12	394.92	3.15	-47.97
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904568	1	50	-1.0	-51.14	394.98	3.18	-47.96
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904569	0	44	-1.0	-58.96	351.98	3.21	-55.75
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904569	1	44	-1.0	-58.98	352.04	3.23	-55.75
CC(C)(C)N1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL300019904570	0	41	-1.0	-52.58	318.64	2.46	-50.12
CC(C)(C)N1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL300019904570	1	41	-1.0	-52.56	318.59	2.45	-50.11
O=C(C1=CC=CC2=CC=CC(O)=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904571	0	37	-1.0	-60.11	304.22	4.83	-55.28
O=C(C1=CC=CC2=CC=CC(O)=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904571	1	37	-1.0	-60.14	304.16	4.81	-55.33
O=C(CC1=NN=C(C2=CC=CC=C2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904572	0	38	-1.0	-63.16	330.80	0.64	-62.52
O=C(CC1=NN=C(C2=CC=CC=C2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904572	1	38	-1.0	-63.18	330.86	0.67	-62.51
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904573	0	42	0.0	-85.64	336.59	4.14	-81.50
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904573	1	42	0.0	-85.66	336.54	4.12	-81.54
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904574	0	42	0.0	-58.14	329.23	3.59	-54.55
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904574	1	42	0.0	-58.12	329.17	3.57	-54.55
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300019904575	0	33	-1.0	-50.48	313.94	5.37	-45.11
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300019904575	1	33	-1.0	-50.46	314.00	5.40	-45.06
CN1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(=O)C2=CC=CC=C21	REAL300019904576	0	39	-1.0	-60.08	326.28	4.81	-55.27
CN1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(=O)C2=CC=CC=C21	REAL300019904576	1	39	-1.0	-60.13	326.22	4.78	-55.35
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904577	0	31	-1.0	-48.74	296.96	3.79	-44.95
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904577	1	31	-1.0	-48.70	297.02	3.81	-44.89
O=C(C1=CN=C(I)C([O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904578	0	29	-2.0	-97.66	280.01	0.61	-97.05
O=C(C1=CN=C(I)C([O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904578	1	29	-2.0	-97.68	280.06	0.63	-97.05
O=C(C1=CN=C(I)C(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904578	1	30	-1.0	-48.66	283.57	-0.16	-48.82
O=C(C1=CN=C(I)C(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904578	1	30	-1.0	-48.58	283.63	-0.14	-48.72
CC(C)(C)OC(=O)N1[C@H](CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)COC1(C)C	REAL300019904579	0	57	-1.0	-60.03	434.55	4.28	-55.75
CC(C)(C)OC(=O)N1[C@H](CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)COC1(C)C	REAL300019904579	1	57	-1.0	-60.03	434.60	4.31	-55.72
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=C(Br)C=N1	REAL300019904580	0	36	-1.0	-47.33	317.93	3.74	-43.59
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=C(Br)C=N1	REAL300019904580	1	36	-1.0	-47.29	317.88	3.72	-43.57
CN1N=C2C=C(Br)C=CC2=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904581	0	36	-1.0	-50.75	327.97	4.36	-46.39
CN1N=C2C=C(Br)C=CC2=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904581	1	36	-1.0	-50.75	327.91	4.35	-46.40
O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904582	0	32	-1.0	-58.36	300.35	3.74	-54.62
O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904582	1	32	-1.0	-58.37	300.29	3.72	-54.65
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904583	0	54	-1.0	-62.24	419.45	7.06	-55.18
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904583	1	54	-1.0	-62.25	419.51	7.08	-55.17
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904584	0	53	-1.0	-60.13	398.93	5.84	-54.29
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904584	1	53	-1.0	-60.08	399.00	5.86	-54.22
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904585	0	36	-1.0	-55.58	307.11	3.14	-52.44
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904585	1	36	-1.0	-55.55	307.17	3.15	-52.40
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904586	0	37	-1.0	-52.14	316.64	4.82	-47.32
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904586	1	37	-1.0	-52.17	316.58	4.81	-47.36
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019904587	0	37	-1.0	-36.96	311.66	4.82	-32.14
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019904587	1	37	-1.0	-36.96	311.76	4.81	-32.15
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904588	0	37	-1.0	-57.41	328.40	-1.40	-58.81
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904588	1	37	-1.0	-57.40	328.34	-1.43	-58.83
NC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019904589	0	33	-1.0	-38.43	278.39	0.84	-37.59
NC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019904589	1	33	-1.0	-38.44	278.33	0.84	-37.60
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904590	0	39	-1.0	-56.99	340.25	6.44	-50.55
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904590	1	39	-1.0	-57.03	340.31	6.47	-50.56
CN1N=C(C2CC2)N=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904591	0	39	-1.0	-57.81	327.83	4.11	-53.70
CN1N=C(C2CC2)N=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904591	1	39	-1.0	-57.82	327.89	4.14	-53.68
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL300019904592	0	44	-1.0	-50.68	358.39	5.45	-45.23
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL300019904592	1	44	-1.0	-50.71	358.33	5.43	-45.28
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904593	0	44	-1.0	-55.77	372.98	7.30	-48.47
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O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904594	0	33	-1.0	-51.80	305.51	5.51	-46.29
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O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904643	0	36	-1.0	-48.48	312.25	4.24	-44.24
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904643	1	36	-1.0	-48.52	312.30	4.26	-44.26
O=C(C1=CC=C2OCCOC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904644	0	35	-1.0	-53.60	293.02	1.04	-52.56
O=C(C1=CC=C2OCCOC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904644	1	35	-1.0	-53.54	292.96	1.02	-52.52
O=C(CCCC1=CC=C(F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904645	0	39	-1.0	-54.04	328.56	6.33	-47.71
O=C(CCCC1=CC=C(F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904645	1	39	-1.0	-54.01	328.62	6.35	-47.66
CS(=O)(=O)N1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904646	0	44	-1.0	-60.53	353.98	1.36	-59.17
CS(=O)(=O)N1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904646	1	44	-1.0	-60.57	354.03	1.38	-59.19
COC1=CC=C2CCCC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=C1	REAL300019904647	0	44	-1.0	-57.79	345.18	5.35	-52.44
COC1=CC=C2CCCC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=C1	REAL300019904647	1	44	-1.0	-57.77	345.24	5.37	-52.40
COC1=CN2N=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2C=C1	REAL300019904648	0	37	-1.0	-55.05	309.90	2.62	-52.43
COC1=CN2N=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2C=C1	REAL300019904648	1	37	-1.0	-55.07	309.84	2.61	-52.46
O=C(C1=NN(C2=CC=C(Br)C=C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904649	0	36	-1.0	-48.48	331.97	4.44	-44.04
O=C(C1=NN(C2=CC=C(Br)C=C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904649	1	36	-1.0	-48.51	331.91	4.43	-44.08
CC1(C)CC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2O1	REAL300019904650	0	41	-1.0	-61.84	328.92	4.92	-56.92
CC1(C)CC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2O1	REAL300019904650	1	41	-1.0	-61.84	328.98	4.93	-56.91
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904651	0	37	-1.0	-54.01	327.80	4.26	-49.75
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904651	1	37	-1.0	-54.01	327.86	4.27	-49.74
NC1=NC(C2CC2)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904652	0	37	-1.0	-48.43	305.79	2.18	-46.25
NC1=NC(C2CC2)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904652	1	37	-1.0	-48.44	305.85	2.19	-46.25
O=C(C1=CNC=C2N=C(C(F)(F)F)N=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904653	0	35	-1.0	-70.89	321.47	2.06	-68.83
O=C(C1=CNC=C2N=C(C(F)(F)F)N=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904653	1	35	-1.0	-70.89	321.53	2.08	-68.81
CN1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300019904654	0	42	-1.0	-58.24	328.92	4.17	-54.07
CN1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300019904654	1	42	-1.0	-58.27	328.98	4.19	-54.08
CN(C)C1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL300019904655	0	37	-1.0	-48.90	318.91	2.73	-46.17
CN(C)C1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL300019904655	1	37	-1.0	-48.90	318.86	2.70	-46.20
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904656	0	43	-1.0	-52.62	352.93	5.58	-47.04
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904656	1	43	-1.0	-52.62	352.98	5.61	-47.01
O=C(C1=C2NC(=O)COC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904657	0	36	-1.0	-58.09	299.65	1.08	-57.01
O=C(C1=C2NC(=O)COC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904657	1	36	-1.0	-58.08	299.71	1.09	-56.99
CC(=NO)C1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL300019904658	0	43	-1.0	-51.74	332.88	2.51	-49.23
CC(=NO)C1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL300019904658	1	43	-1.0	-51.75	332.94	2.54	-49.21
O=C(COC1=NSN=C1N1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904659	0	42	-1.0	-50.75	356.07	-0.38	-51.13
O=C(COC1=NSN=C1N1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904659	1	42	-1.0	-50.71	356.01	-0.41	-51.12
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904660	0	52	-1.0	-58.10	413.45	6.29	-51.81
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904660	1	52	-1.0	-58.08	413.50	6.32	-51.76
CC1CC2=C(NN=C2)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904661	0	40	-1.0	-55.64	316.78	3.04	-52.60
CC1CC2=C(NN=C2)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904661	1	40	-1.0	-55.64	316.84	3.05	-52.59
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904662	0	36	-1.0	-49.52	313.27	4.95	-44.57
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904662	1	36	-1.0	-49.51	313.33	4.97	-44.54
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904663	0	38	-1.0	-41.83	305.39	3.71	-38.12
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904663	1	38	-1.0	-41.80	305.50	3.70	-38.10
O=C(C1=CSC(Br)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904664	0	26	-1.0	-49.64	260.45	2.06	-47.58
O=C(C1=CSC(Br)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904664	1	26	-1.0	-49.62	260.39	2.03	-47.59
CC(C)CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=CN=C1	REAL300019904665	0	42	-1.0	-55.38	334.76	6.08	-49.30
CC(C)CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=CN=C1	REAL300019904665	1	42	-1.0	-55.39	334.81	6.11	-49.28
CN1CCCC1C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1	REAL300019904666	0	42	-1.0	-52.82	338.08	1.12	-51.70
CN1CCCC1C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1	REAL300019904666	1	42	-1.0	-52.83	338.14	1.14	-51.69
O=C(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NC1=C(F)C=CC=C1F	REAL300019904667	0	40	-1.0	-54.83	351.18	3.97	-50.86
O=C(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NC1=C(F)C=CC=C1F	REAL300019904667	1	40	-1.0	-54.85	351.24	3.99	-50.86
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC(=O)C2=CC=CC=C21	REAL300019904668	0	39	-1.0	-56.52	326.77	3.32	-53.20
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC(=O)C2=CC=CC=C21	REAL300019904668	1	39	-1.0	-56.53	326.71	3.31	-53.22
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL300019904669	0	45	-1.0	-56.76	348.57	5.30	-51.46
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL300019904669	1	45	-1.0	-56.75	348.63	5.33	-51.42
CCN1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL300019904670	0	40	-1.0	-39.96	324.10	2.84	-37.12
CCN1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL300019904670	1	40	-1.0	-39.96	324.16	2.85	-37.11
CSC1=CC(Br)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904671	0	34	-1.0	-52.43	310.92	5.16	-47.27
CSC1=CC(Br)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904671	1	34	-1.0	-52.42	310.98	5.17	-47.25
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(NC2CC2)=N1	REAL300019904672	0	41	-1.0	-52.89	332.79	3.73	-49.16
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(NC2CC2)=N1	REAL300019904672	1	41	-1.0	-52.89	332.84	3.74	-49.15
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300019904673	0	37	-1.0	-52.10	318.87	4.44	-47.66
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300019904673	1	37	-1.0	-52.09	318.93	4.46	-47.63
CC1=CC=C(C2=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)S2)C=C1C	REAL300019904674	0	42	-1.0	-54.24	354.61	5.63	-48.61
CC1=CC=C(C2=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)S2)C=C1C	REAL300019904674	1	42	-1.0	-54.28	354.56	5.61	-48.67
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904675	0	39	-1.0	-52.44	340.24	4.58	-47.86
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904675	1	39	-1.0	-52.46	340.30	4.61	-47.85
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904676	0	39	-1.0	-53.28	330.46	4.45	-48.83
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904676	1	39	-1.0	-53.24	330.52	4.48	-48.76
O=C(C1CCC2(CC2(F)F)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904677	0	40	-1.0	-51.86	324.25	5.54	-46.32
O=C(C1CCC2(CC2(F)F)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904677	1	40	-1.0	-51.86	324.31	5.55	-46.31
O=C(C1=CC=C(C(F)F)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904678	0	33	-1.0	-43.25	283.78	4.07	-39.18
O=C(C1=CC=C(C(F)F)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904678	1	33	-1.0	-43.27	283.84	4.09	-39.18
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904679	0	38	-1.0	-55.25	330.47	5.15	-50.10
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904679	1	38	-1.0	-55.27	330.53	5.17	-50.10
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904680	0	34	-1.0	-49.64	310.27	3.74	-45.90
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904680	1	34	-1.0	-49.65	310.33	3.76	-45.89
NC1=C(Cl)C(F)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL300019904681	0	32	-1.0	-47.80	299.24	2.62	-45.18
NC1=C(Cl)C(F)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL300019904681	1	32	-1.0	-47.74	299.30	2.64	-45.10
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904682	0	41	-1.0	-57.04	352.81	0.46	-56.58
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904682	1	41	-1.0	-57.05	352.87	0.49	-56.56
O=C(C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904683	0	32	-1.0	-46.48	317.94	5.44	-41.04
O=C(C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904683	1	32	-1.0	-46.48	318.00	5.45	-41.03
O=C(C1=CSC(N2CCCCC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904684	0	41	-1.0	-51.12	336.64	3.98	-47.14
O=C(C1=CSC(N2CCCCC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904684	1	41	-1.0	-51.10	336.58	3.95	-47.15
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904685	0	37	-1.0	-51.50	321.34	2.36	-49.14
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904685	1	37	-1.0	-51.52	321.40	2.39	-49.13
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904686	0	48	-1.0	-54.76	369.00	4.47	-50.29
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904686	1	48	-1.0	-54.75	369.05	4.48	-50.27
NC(=O)CC(NC(=O)CC1=CC=CC(F)=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904687	0	47	-1.0	-58.98	391.89	1.65	-57.33
NC(=O)CC(NC(=O)CC1=CC=CC(F)=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904687	1	47	-1.0	-58.98	391.94	1.68	-57.30
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904688	0	44	-1.0	-61.02	365.57	1.56	-59.46
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904688	1	44	-1.0	-61.08	365.63	1.57	-59.51
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL300019904689	0	40	-1.0	-60.09	351.80	-2.02	-62.11
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL300019904689	1	40	-1.0	-60.10	351.86	-1.99	-62.09
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904690	0	33	-1.0	-53.73	281.91	-0.31	-54.04
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904690	1	33	-1.0	-53.72	281.85	-0.33	-54.05
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL300019904691	0	49	0.0	-55.06	382.05	4.14	-50.92
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL300019904691	1	49	0.0	-55.07	382.11	4.14	-50.93
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904692	0	38	-1.0	-53.89	319.77	3.91	-49.98
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904692	1	38	-1.0	-53.86	319.83	3.94	-49.92
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(C2=CC=CC=C2F)=N1	REAL300019904693	0	39	-1.0	-57.04	337.99	5.29	-51.75
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(C2=CC=CC=C2F)=N1	REAL300019904693	1	39	-1.0	-57.04	337.94	5.27	-51.77
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O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904694	1	35	-1.0	-51.70	302.42	6.30	-45.40
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O=C(C1=C2N=CSC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904695	1	32	-1.0	-61.91	282.51	3.04	-58.87
CS(=O)(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL300019904696	0	33	-1.0	-61.06	295.95	-0.79	-61.85
CS(=O)(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL300019904696	1	33	-1.0	-61.00	296.01	-0.77	-61.77
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O=C(C1=COC2=CC=C(Cl)C=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904697	1	33	-1.0	-56.11	298.42	4.60	-51.51
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904698	0	37	-1.0	-56.25	311.43	6.73	-49.52
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904698	1	37	-1.0	-56.26	311.37	6.70	-49.56
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904699	0	41	-1.0	-52.98	328.36	3.63	-49.35
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904699	1	41	-1.0	-52.94	328.42	3.65	-49.29
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019904700	0	44	-1.0	-51.38	356.18	4.45	-46.93
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019904700	1	44	-1.0	-51.39	356.12	4.42	-46.97
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CC(C)(O)C1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904702	0	46	-1.0	-54.99	340.59	2.51	-52.48
CC(C)(O)C1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904702	1	46	-1.0	-54.96	340.66	2.53	-52.43
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O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904703	1	35	-1.0	-61.26	309.05	5.22	-56.04
CC(COCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019904704	0	43	-1.0	-55.96	352.11	6.39	-49.57
CC(COCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019904704	1	43	-1.0	-55.97	352.16	6.41	-49.56
O=C(COCCC1=CC=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904705	0	40	-1.0	-56.51	341.62	5.94	-50.57
O=C(COCCC1=CC=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904705	1	40	-1.0	-56.48	341.67	5.96	-50.52
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904706	0	53	-1.0	-52.31	407.55	4.20	-48.11
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904706	1	53	-1.0	-52.25	407.60	4.22	-48.03
O=C(C1CCOC2=CC=C(Br)C=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904707	0	38	-1.0	-54.22	328.06	4.82	-49.40
O=C(C1CCOC2=CC=C(Br)C=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904707	1	38	-1.0	-54.24	328.12	4.83	-49.41
CNC(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=C1	REAL300019904708	0	39	-1.0	-48.24	328.10	1.19	-47.05
CNC(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=C1	REAL300019904708	1	39	-1.0	-48.24	328.16	1.19	-47.05
O=C(CN1N=C2CCCCN2C1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904709	0	40	-1.0	-68.26	329.77	4.01	-64.25
O=C(CN1N=C2CCCCN2C1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904709	1	40	-1.0	-68.28	329.82	4.04	-64.24
O=C(C1=CC(F)=CC2=CC=NC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904710	0	35	-1.0	-53.58	296.98	4.08	-49.50
O=C(C1=CC(F)=CC2=CC=NC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904710	1	35	-1.0	-53.58	296.92	4.07	-49.51
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300019904711	0	43	-1.0	-56.78	372.35	6.79	-49.99
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300019904711	1	43	-1.0	-56.80	372.41	6.82	-49.98
O=C(C1=CC2=C(S1)C(=O)NC=C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904712	0	33	-1.0	-56.44	294.44	1.95	-54.49
O=C(C1=CC2=C(S1)C(=O)NC=C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904712	1	33	-1.0	-56.45	294.50	1.97	-54.48
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904713	0	38	-1.0	-52.64	331.95	5.77	-46.87
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904713	1	38	-1.0	-52.66	331.89	5.75	-46.91
CC1=NN=NN1C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904714	0	38	-1.0	-54.17	318.63	3.61	-50.56
CC1=NN=NN1C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904714	1	38	-1.0	-54.17	318.69	3.63	-50.54
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904715	0	45	-1.0	-43.61	378.71	6.88	-36.73
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904715	1	45	-1.0	-43.62	378.77	6.89	-36.73
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904716	0	46	-1.0	-57.83	373.61	5.84	-51.99
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904716	1	46	-1.0	-57.86	373.67	5.86	-52.00
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904717	0	51	-1.0	-58.19	403.70	7.72	-50.47
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904717	1	51	-1.0	-58.24	403.76	7.74	-50.50
O=C(CCCC1=CC=C2CCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904718	0	49	-1.0	-54.68	384.83	8.75	-45.93
O=C(CCCC1=CC=C2CCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904718	1	49	-1.0	-54.68	384.89	8.78	-45.90
O=C(C1=CC=CC2=C1OCCCO2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904719	0	39	-1.0	-57.36	313.20	4.36	-53.00
O=C(C1=CC=CC2=C1OCCCO2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904719	1	39	-1.0	-57.34	313.26	4.39	-52.95
O=C(C1=NSC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904720	0	26	-1.0	-52.06	255.42	2.37	-49.69
O=C(C1=NSC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904720	1	26	-1.0	-52.06	255.36	2.34	-49.72
O=C(C(CC1CCCO1)C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904721	0	40	-1.0	-48.76	327.29	3.51	-45.25
O=C(C(CC1CCCO1)C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904721	1	40	-1.0	-48.74	327.35	3.53	-45.21
CCC1=NC=CN1C(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904722	0	42	-1.0	-48.38	337.58	5.16	-43.22
CCC1=NC=CN1C(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904722	1	42	-1.0	-48.39	337.63	5.19	-43.20
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904722	1	43	0.0	-59.71	340.76	5.62	-54.09
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904722	1	43	0.0	-59.73	340.82	5.65	-54.08
CCCOC1=CC=NC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904723	0	41	-1.0	-57.67	344.92	1.90	-55.77
CCCOC1=CC=NC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904723	1	41	-1.0	-57.66	344.98	1.93	-55.73
O=C(C1=C2C=CC(Cl)=CN2C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904724	0	33	-1.0	-57.21	296.59	6.24	-50.97
O=C(C1=C2C=CC(Cl)=CN2C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904724	1	33	-1.0	-57.23	296.53	6.22	-51.01
O=C(CC1=CN2CCCCC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904725	0	40	-1.0	-61.36	322.27	4.97	-56.39
O=C(CC1=CN2CCCCC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904725	1	40	-1.0	-61.37	322.33	4.99	-56.38
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904726	0	55	0.0	-63.83	410.54	3.11	-60.72
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904726	1	55	0.0	-63.86	410.60	3.13	-60.73
COC1=CC=C(CN2N=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2C)C=C1	REAL300019904727	0	46	-1.0	-53.38	379.36	4.16	-49.22
COC1=CC=C(CN2N=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2C)C=C1	REAL300019904727	1	46	-1.0	-53.39	379.41	4.19	-49.20
O=C(CC1(CN2C=NN=N2)CCCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904728	0	47	-1.0	-43.90	351.51	5.57	-38.33
O=C(CC1(CN2C=NN=N2)CCCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904728	1	47	-1.0	-43.90	351.45	5.54	-38.36
N#CC1=CC(Br)=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904729	0	34	-1.0	-58.57	319.31	5.51	-53.06
N#CC1=CC(Br)=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904729	1	34	-1.0	-58.60	319.37	5.53	-53.07
O=C(C1=CN=C(C2=CC=CC(Cl)=C2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904730	0	36	-1.0	-51.38	333.73	5.04	-46.34
O=C(C1=CN=C(C2=CC=CC(Cl)=C2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904730	1	36	-1.0	-51.40	333.67	5.03	-46.37
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904731	0	36	-1.0	-57.19	325.20	4.80	-52.39
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904731	1	36	-1.0	-57.14	325.14	4.78	-52.36
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019904732	0	36	-1.0	-53.52	307.61	5.42	-48.10
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019904732	1	36	-1.0	-53.53	307.67	5.44	-48.09
CC(C)OC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1Br	REAL300019904733	0	40	-1.0	-50.94	340.47	5.09	-45.85
CC(C)OC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1Br	REAL300019904733	1	40	-1.0	-50.93	340.53	5.11	-45.82
O=C(CC1C2CC3CC(C2)CC1C3)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904734	0	47	-1.0	-53.16	333.04	6.42	-46.74
O=C(CC1C2CC3CC(C2)CC1C3)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904734	1	47	-1.0	-53.16	333.10	6.45	-46.71
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904735	0	44	-1.0	-58.30	355.12	2.15	-56.15
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904735	1	44	-1.0	-58.33	355.18	2.17	-56.16
CC1=CC=CC(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N2C)=C1	REAL300019904736	0	44	-1.0	-54.49	348.54	6.93	-47.56
CC1=CC=CC(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N2C)=C1	REAL300019904736	1	44	-1.0	-54.41	348.60	6.96	-47.45
O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904737	0	38	-1.0	-56.00	308.33	3.22	-52.78
O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904737	1	38	-1.0	-56.00	308.40	3.22	-52.78
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904738	0	38	-1.0	-62.87	314.42	3.74	-59.13
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904738	1	38	-1.0	-62.84	314.48	3.75	-59.09
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904739	0	46	-1.0	-58.45	377.26	2.47	-55.98
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904739	1	46	-1.0	-58.47	377.32	2.49	-55.98
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904740	0	36	-1.0	-55.06	318.88	3.75	-51.31
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904740	1	36	-1.0	-55.07	318.94	3.77	-51.30
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904741	0	48	-1.0	-59.01	367.71	6.03	-52.98
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904741	1	48	-1.0	-59.00	367.77	6.06	-52.94
O=C(CC12CCCCC1C2(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904742	0	40	-1.0	-59.94	315.82	5.48	-54.46
O=C(CC12CCCCC1C2(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904742	1	40	-1.0	-59.97	315.88	5.50	-54.47
CC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL300019904743	0	36	-1.0	-49.91	309.44	5.40	-44.51
CC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL300019904743	1	36	-1.0	-49.89	309.51	5.41	-44.48
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904744	0	46	-1.0	-53.36	343.86	6.51	-46.85
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904744	1	46	-1.0	-53.37	343.91	6.53	-46.84
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904745	0	44	-1.0	-55.86	357.10	6.10	-49.76
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904745	1	44	-1.0	-55.86	357.15	6.13	-49.73
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904746	0	47	-1.0	-55.59	390.50	7.95	-47.64
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904746	1	47	-1.0	-55.59	390.56	7.98	-47.61
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904747	0	33	-1.0	-57.74	292.88	3.94	-53.80
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904747	1	33	-1.0	-57.72	292.83	3.92	-53.80
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC(Br)=C1F	REAL300019904748	0	33	-1.0	-47.25	296.46	4.87	-42.38
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC(Br)=C1F	REAL300019904748	1	33	-1.0	-47.26	296.52	4.89	-42.37
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904749	0	32	-1.0	-54.87	300.99	3.55	-51.32
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904749	1	32	-1.0	-54.91	300.93	3.53	-51.38
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904750	0	35	-1.0	-52.59	296.26	4.07	-48.52
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904750	1	35	-1.0	-52.58	296.21	4.05	-48.53
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904751	0	33	-1.0	-46.76	319.50	5.17	-41.59
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904751	1	33	-1.0	-46.73	319.45	5.15	-41.58
O=C(CCC1=CSC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904752	0	33	-1.0	-49.89	310.02	4.95	-44.94
O=C(CCC1=CSC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904752	1	33	-1.0	-49.90	310.08	4.98	-44.92
O=C(C1=CC(Br)=CC(N2CCCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904753	0	42	-1.0	-38.61	340.80	4.25	-34.36
O=C(C1=CC(Br)=CC(N2CCCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904753	1	42	-1.0	-38.61	340.85	4.24	-34.37
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904754	0	36	-1.0	-54.60	311.18	3.80	-50.80
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904754	1	36	-1.0	-54.56	311.12	3.78	-50.78
O=C(C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904755	0	36	-1.0	-57.05	331.16	1.69	-55.36
O=C(C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904755	1	36	-1.0	-57.08	331.22	1.71	-55.37
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904756	0	32	-1.0	-41.04	288.93	2.94	-38.10
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904756	1	32	-1.0	-41.06	288.87	2.93	-38.13
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904757	0	44	-1.0	-56.85	359.81	5.43	-51.42
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904757	1	44	-1.0	-56.84	359.86	5.46	-51.38
CC1=CC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300019904758	0	41	-1.0	-51.61	354.17	5.71	-45.90
CC1=CC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300019904758	1	41	-1.0	-51.60	354.23	5.74	-45.86
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=C1	REAL300019904759	0	49	-1.0	-54.02	388.67	7.56	-46.46
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=C1	REAL300019904759	1	49	-1.0	-54.03	388.73	7.59	-46.44
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904760	0	51	-1.0	-52.91	385.66	6.58	-46.33
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904760	1	51	-1.0	-52.93	385.72	6.61	-46.32
CN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300019904761	0	41	-1.0	-59.07	332.45	6.46	-52.61
CN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300019904761	1	41	-1.0	-59.07	332.39	6.45	-52.62
CCCCCC1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904762	0	42	-1.0	-50.00	339.49	4.14	-45.86
CCCCCC1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904762	1	42	-1.0	-50.03	339.55	4.15	-45.88
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)N1C1CCOCC1	REAL300019904763	0	48	-1.0	-55.22	360.59	4.88	-50.34
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)N1C1CCOCC1	REAL300019904763	1	48	-1.0	-55.18	360.64	4.90	-50.28
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904764	0	36	-1.0	-46.45	316.85	4.95	-41.50
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904764	1	36	-1.0	-46.41	316.79	4.93	-41.48
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(NCC(F)(F)F)=N1	REAL300019904765	0	40	-1.0	-51.43	343.03	3.30	-48.13
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(NCC(F)(F)F)=N1	REAL300019904765	1	40	-1.0	-51.41	343.09	3.32	-48.09
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904766	0	34	-1.0	-54.40	298.64	3.98	-50.42
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904766	1	34	-1.0	-54.44	298.70	4.01	-50.43
CC1(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC(C)(C)C1	REAL300019904767	0	48	-1.0	-52.25	351.90	6.01	-46.24
CC1(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC(C)(C)C1	REAL300019904767	1	48	-1.0	-52.31	351.95	6.03	-46.28
CC(C)(C)N1N=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Br	REAL300019904768	0	39	-1.0	-52.24	324.62	3.57	-48.67
CC(C)(C)N1N=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Br	REAL300019904768	1	39	-1.0	-52.25	324.57	3.56	-48.69
C[C@@H](C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019904769	0	46	-1.0	-50.96	354.46	3.71	-47.25
C[C@@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019904769	1	46	-1.0	-50.95	354.52	3.74	-47.21
CC(C)(C)OC(=O)N1CC2=C(C1)SC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)=C2	REAL300019904770	0	48	-1.0	-54.08	393.83	5.08	-49.00
CC(C)(C)OC(=O)N1CC2=C(C1)SC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)=C2	REAL300019904770	1	48	-1.0	-54.07	393.89	5.09	-48.98
COC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)O1	REAL300019904771	0	36	-1.0	-49.03	307.89	3.26	-45.77
COC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)O1	REAL300019904771	1	36	-1.0	-49.02	307.95	3.28	-45.74
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904772	0	29	-1.0	-48.14	284.95	3.81	-44.33
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904772	1	29	-1.0	-48.15	284.89	3.79	-44.36
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904773	0	37	-1.0	-46.29	301.38	-0.54	-46.83
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904773	1	37	-1.0	-46.24	301.32	-0.52	-46.76
O=C(CC1=CN=CC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904774	0	38	-1.0	-55.82	317.14	5.03	-50.79
O=C(CC1=CN=CC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904774	1	38	-1.0	-55.83	317.19	5.05	-50.78
CC(=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CN1CCOCC1	REAL300019904775	0	43	-1.0	-51.84	335.78	1.38	-50.46
CC(=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CN1CCOCC1	REAL300019904775	1	43	-1.0	-51.84	335.83	1.41	-50.43
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904776	0	32	-1.0	-53.03	288.22	-1.37	-54.40
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904776	1	32	-1.0	-53.00	288.28	-1.35	-54.35
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904777	0	33	-1.0	-59.56	291.31	2.73	-56.83
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904777	1	33	-1.0	-59.56	291.37	2.74	-56.82
CN(C)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300019904778	0	41	-1.0	-53.27	340.32	4.91	-48.36
CN(C)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300019904778	1	41	-1.0	-53.28	340.38	4.94	-48.34
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904779	0	34	-1.0	-49.41	307.12	5.02	-44.39
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904779	1	34	-1.0	-49.38	307.18	5.04	-44.34
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(SCC(C)C)=N1	REAL300019904780	0	45	-1.0	-53.42	389.06	5.89	-47.53
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(SCC(C)C)=N1	REAL300019904780	1	45	-1.0	-53.43	389.12	5.91	-47.52
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NC2=CC=C1Br	REAL300019904781	0	37	-1.0	-50.60	322.79	5.22	-45.38
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NC2=CC=C1Br	REAL300019904781	1	37	-1.0	-50.57	322.85	5.24	-45.33
COC1=CC=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904782	0	37	-1.0	-52.19	312.85	4.02	-48.17
COC1=CC=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904782	1	37	-1.0	-52.19	312.90	4.04	-48.15
NC(=O)N=NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904783	0	36	-1.0	-55.66	311.88	-1.28	-56.94
NC(=O)N=NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904783	1	36	-1.0	-55.63	311.93	-1.26	-56.89
O=C(C1=CNC(=S)N1C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904784	0	35	-1.0	-55.18	294.41	3.80	-51.38
O=C(C1=CNC(=S)N1C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904784	1	35	-1.0	-55.19	294.46	3.83	-51.36
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904785	0	40	-1.0	-54.92	340.58	3.44	-51.48
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904785	1	40	-1.0	-54.87	340.64	3.46	-51.41
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904786	0	35	-1.0	-51.90	306.76	1.42	-50.48
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904786	1	35	-1.0	-51.90	306.71	1.39	-50.51
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904787	0	40	-1.0	-55.85	354.79	3.97	-51.88
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904787	1	40	-1.0	-55.81	354.84	3.99	-51.82
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904788	0	49	-1.0	-58.77	391.51	6.45	-52.32
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904788	1	49	-1.0	-58.79	391.56	6.48	-52.31
COCCCN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC1=O	REAL300019904789	0	42	-1.0	-51.14	350.81	2.01	-49.13
COCCCN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC1=O	REAL300019904789	1	42	-1.0	-51.18	350.87	2.04	-49.14
CC(C)(C)N1C=C(Br)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904790	0	39	-1.0	-55.34	336.22	4.62	-50.72
CC(C)(C)N1C=C(Br)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904790	1	39	-1.0	-55.36	336.16	4.61	-50.75
O=C(C1=C2C=CSC2=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904791	0	31	-1.0	-50.31	277.12	3.81	-46.50
O=C(C1=C2C=CSC2=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904791	1	31	-1.0	-50.29	277.07	3.78	-46.51
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904792	0	58	-1.0	-52.35	433.24	5.85	-46.50
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904792	1	58	-1.0	-52.34	433.30	5.88	-46.46
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL300019904793	0	44	-1.0	-39.49	348.75	4.54	-34.95
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL300019904793	1	44	-1.0	-39.50	348.83	4.53	-34.97
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904794	0	49	-1.0	-43.02	385.74	5.97	-37.05
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904794	1	49	-1.0	-42.97	385.81	5.96	-37.01
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300019904795	0	37	-1.0	-50.09	317.63	3.95	-46.14
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300019904795	1	37	-1.0	-50.11	317.69	3.97	-46.14
CC(C)(C)N1N=NC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904796	0	40	-1.0	-59.08	332.62	2.25	-56.83
CC(C)(C)N1N=NC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904796	1	40	-1.0	-59.08	332.68	2.28	-56.80
O=C(C1=CC(C2=CC=CC(Br)=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904797	0	36	-1.0	-47.24	331.73	5.49	-41.75
O=C(C1=CC(C2=CC=CC(Br)=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904797	1	36	-1.0	-47.21	331.67	5.46	-41.75
O=C(C1=CC(C2=CC=C(Br)C=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904798	0	36	-1.0	-46.20	331.74	5.51	-40.69
O=C(C1=CC(C2=CC=C(Br)C=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904798	1	36	-1.0	-46.23	331.68	5.48	-40.75
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904799	0	33	-1.0	-51.15	305.83	5.50	-45.65
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904799	1	33	-1.0	-51.16	305.89	5.51	-45.65
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904800	0	41	-1.0	-53.74	335.73	5.28	-48.46
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904800	1	41	-1.0	-53.76	335.79	5.30	-48.46
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904801	0	39	-1.0	-55.66	330.12	5.17	-50.49
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904801	1	39	-1.0	-55.66	330.17	5.20	-50.46
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904802	0	49	-1.0	-52.91	381.09	8.48	-44.43
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904802	1	49	-1.0	-52.92	381.15	8.50	-44.42
CN(C)C(=O)C1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904803	0	46	-1.0	-52.89	351.37	3.87	-49.02
CN(C)C(=O)C1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904803	1	46	-1.0	-52.88	351.43	3.89	-48.99
CC1=C(Br)C=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904804	0	32	-1.0	-47.87	283.02	2.84	-45.03
CC1=C(Br)C=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904804	1	32	-1.0	-47.90	283.08	2.86	-45.04
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904805	0	40	-1.0	-41.18	342.89	3.24	-37.94
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904805	1	40	-1.0	-41.20	342.95	3.24	-37.96
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL300019904806	0	43	-1.0	-39.90	338.90	3.27	-36.63
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL300019904806	1	43	-1.0	-39.90	338.96	3.28	-36.62
O=C(CC1=C(Cl)C=CC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904807	0	33	-1.0	-51.22	311.40	5.60	-45.62
O=C(CC1=C(Cl)C=CC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904807	1	33	-1.0	-51.22	311.45	5.63	-45.59
COC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL300019904808	0	37	-1.0	-58.26	322.31	4.44	-53.82
COC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL300019904808	1	37	-1.0	-58.26	322.36	4.47	-53.79
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019904809	0	49	-1.0	-50.68	374.82	4.85	-45.83
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019904809	1	49	-1.0	-50.67	374.88	4.88	-45.79
O=C(CCC1CC1(Cl)Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904810	0	33	-1.0	-52.84	305.52	5.06	-47.78
O=C(CCC1CC1(Cl)Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904810	1	33	-1.0	-52.86	305.58	5.08	-47.78
O=C(C(CC1COCCO1)C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904811	0	41	-1.0	-52.81	335.35	2.35	-50.46
O=C(C(CC1COCCO1)C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904811	1	41	-1.0	-52.85	335.40	2.36	-50.49
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904812	0	43	-1.0	-54.60	347.84	2.79	-51.81
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904812	1	43	-1.0	-54.63	347.90	2.82	-51.81
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904813	0	50	-1.0	-61.17	388.63	4.77	-56.40
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904813	1	50	-1.0	-61.19	388.69	4.79	-56.40
O=C(CC1=CC=C(Br)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904814	0	33	-1.0	-55.27	306.01	5.33	-49.94
O=C(CC1=CC=C(Br)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904814	1	33	-1.0	-55.28	306.06	5.35	-49.93
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904815	0	36	-1.0	-63.27	309.41	3.56	-59.71
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904815	1	36	-1.0	-63.24	309.36	3.53	-59.71
CC(C)N(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019904816	0	49	-1.0	-54.97	378.09	5.29	-49.68
CC(C)N(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019904816	1	49	-1.0	-54.94	378.15	5.32	-49.62
CC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300019904817	0	45	-1.0	-53.16	361.60	6.20	-46.96
CC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300019904817	1	45	-1.0	-53.20	361.66	6.23	-46.97
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300019904818	0	42	-1.0	-52.86	344.52	4.27	-48.59
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300019904818	1	42	-1.0	-52.82	344.46	4.25	-48.57
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)=N1	REAL300019904819	0	43	-1.0	-47.18	348.39	6.31	-40.87
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)=N1	REAL300019904819	1	43	-1.0	-47.15	348.33	6.31	-40.84
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019904820	0	33	-1.0	-46.98	306.65	5.23	-41.75
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019904820	1	33	-1.0	-46.99	306.70	5.26	-41.73
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904821	0	36	-1.0	-53.82	312.30	6.33	-47.49
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904821	1	36	-1.0	-53.84	312.24	6.31	-47.53
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904822	0	36	-1.0	-74.46	326.91	5.52	-68.94
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904822	1	36	-1.0	-74.45	326.85	5.51	-68.94
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300019904823	0	44	-1.0	-58.42	359.34	5.40	-53.02
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)N1C1=CN(C)N=C1	REAL300019904823	1	44	-1.0	-58.43	359.29	5.39	-53.04
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019904824	0	39	-1.0	-54.28	350.70	5.03	-49.25
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019904824	1	39	-1.0	-54.30	350.64	5.01	-49.29
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904825	0	43	0.0	-40.87	331.45	3.65	-37.22
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904825	1	43	0.0	-40.85	331.51	3.65	-37.20
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904826	0	44	-1.0	-57.63	362.15	4.35	-53.28
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904826	1	44	-1.0	-57.61	362.10	4.32	-53.29
NC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(Br)=N1	REAL300019904827	0	31	-1.0	-39.84	274.45	0.61	-39.23
NC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(Br)=N1	REAL300019904827	1	31	-1.0	-39.85	274.41	0.61	-39.24
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904828	0	44	-1.0	-62.21	370.24	8.23	-53.98
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904828	1	44	-1.0	-62.18	370.26	8.26	-53.92
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CNC2=C1	REAL300019904829	0	44	-1.0	-51.09	342.51	1.98	-49.11
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CNC2=C1	REAL300019904829	1	44	-1.0	-51.10	342.58	1.97	-49.13
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904830	0	38	-1.0	-54.47	319.16	2.43	-52.04
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904830	1	38	-1.0	-54.45	319.22	2.45	-52.00
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019904831	0	53	-1.0	-62.36	402.28	3.23	-59.13
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019904831	1	53	-1.0	-62.33	402.34	3.25	-59.08
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904832	0	41	-1.0	-57.31	334.88	0.51	-56.80
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904832	1	41	-1.0	-57.31	334.93	0.53	-56.78
COC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1OC(F)F	REAL300019904833	0	41	-1.0	-60.69	347.76	4.15	-56.54
COC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1OC(F)F	REAL300019904833	1	41	-1.0	-60.70	347.82	4.18	-56.52
CC1=CC=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Br	REAL300019904834	0	36	-1.0	-54.01	315.67	5.74	-48.27
CC1=CC=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Br	REAL300019904834	1	36	-1.0	-54.01	315.73	5.76	-48.25
O=C(C1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904835	0	45	-1.0	-52.46	355.45	3.03	-49.43
O=C(C1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904835	1	45	-1.0	-52.43	355.51	3.04	-49.39
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904836	0	39	-1.0	-44.42	322.04	3.45	-40.97
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904836	1	39	-1.0	-44.44	321.97	3.46	-40.98
CC1=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NC=C1Cl	REAL300019904837	0	35	-1.0	-54.68	308.49	4.14	-50.54
CC1=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NC=C1Cl	REAL300019904837	1	35	-1.0	-54.64	308.55	4.17	-50.47
NC1=C(Cl)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL300019904838	0	32	-1.0	-50.23	294.43	2.58	-47.65
NC1=C(Cl)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL300019904838	1	32	-1.0	-50.24	294.49	2.60	-47.64
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904839	0	33	-1.0	-37.85	288.54	4.75	-33.10
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904839	1	33	-1.0	-37.83	288.60	4.75	-33.08
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CC1=CC=C(COC(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904886	0	43	-1.0	-58.09	350.41	6.19	-51.90
CC1=CC=C(COC(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904886	1	43	-1.0	-58.15	350.46	6.22	-51.93
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904887	0	33	-1.0	-50.96	310.39	5.60	-45.36
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904887	1	33	-1.0	-50.95	310.45	5.62	-45.33
O=C(C1=C2SC=CC2=NC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904888	0	31	-1.0	-51.67	278.31	3.83	-47.84
O=C(C1=C2SC=CC2=NC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904888	1	31	-1.0	-51.61	278.26	3.80	-47.81
CCCCCCCCC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904889	0	50	-1.0	-52.86	382.13	7.40	-45.46
CCCCCCCCC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904889	1	50	-1.0	-52.83	382.18	7.42	-45.41
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904890	0	54	-1.0	-63.41	416.27	6.77	-56.64
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904890	1	54	-1.0	-63.41	416.33	6.78	-56.63
CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904891	0	47	-1.0	-55.23	374.21	3.13	-52.10
CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904891	1	47	-1.0	-55.23	374.27	3.15	-52.08
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904892	0	53	-1.0	-67.35	401.98	5.60	-61.75
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904892	1	53	-1.0	-67.34	402.03	5.63	-61.71
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904893	0	41	-1.0	-65.95	350.35	4.35	-61.60
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904893	1	41	-1.0	-65.97	350.29	4.34	-61.63
COC1=CC=C(CNC(=O)C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904894	0	45	-1.0	-51.79	381.13	2.95	-48.84
COC1=CC=C(CNC(=O)C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904894	1	45	-1.0	-51.79	381.19	2.97	-48.82
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904895	0	34	-1.0	-51.82	318.67	5.66	-46.16
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904895	1	34	-1.0	-51.83	318.73	5.69	-46.14
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904896	0	38	-1.0	-41.55	317.58	4.24	-37.31
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904896	1	38	-1.0	-41.55	317.65	4.26	-37.29
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904897	0	34	-1.0	-47.50	312.67	3.90	-43.60
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904897	1	34	-1.0	-47.52	312.73	3.93	-43.59
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1Br	REAL300019904898	0	34	-1.0	-50.99	300.62	3.51	-47.48
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1Br	REAL300019904898	1	34	-1.0	-51.02	300.68	3.54	-47.48
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300019904899	0	37	-1.0	-49.63	316.71	4.11	-45.52
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300019904899	1	37	-1.0	-49.63	316.77	4.13	-45.50
O=C(C1COC2=CC(F)=CC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904900	0	38	-1.0	-48.81	315.74	4.42	-44.39
O=C(C1COC2=CC(F)=CC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904900	1	38	-1.0	-48.83	315.80	4.44	-44.39
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL300019904901	0	36	-1.0	-60.01	314.68	0.07	-59.94
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL300019904901	1	36	-1.0	-60.07	314.73	0.09	-59.98
CC1=CC=CC=C1COC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904902	0	43	-1.0	-59.78	345.18	6.22	-53.56
CC1=CC=CC=C1COC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904902	1	43	-1.0	-59.81	345.23	6.24	-53.57
O=C(C1=CSC(C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904903	0	30	-1.0	-48.78	281.52	3.71	-45.07
O=C(C1=CSC(C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904903	1	30	-1.0	-48.82	281.58	3.73	-45.09
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904904	0	43	-1.0	-53.94	336.72	6.84	-47.10
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904904	1	43	-1.0	-53.93	336.78	6.86	-47.07
COCCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019904905	0	40	-1.0	-55.35	331.00	2.05	-53.30
COCCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019904905	1	40	-1.0	-55.36	330.94	2.04	-53.32
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1CCOCC1	REAL300019904906	0	44	-1.0	-57.72	351.22	3.48	-54.24
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1CCOCC1	REAL300019904906	1	44	-1.0	-57.76	351.28	3.51	-54.25
CN1C=C(N2CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CC2=O)C=N1	REAL300019904907	0	41	-1.0	-55.22	338.72	2.68	-52.54
CN1C=C(N2CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CC2=O)C=N1	REAL300019904907	1	41	-1.0	-55.20	338.66	2.65	-52.55
O=C(C1=C2C=CSC2=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904908	0	32	-1.0	-52.76	281.00	3.06	-49.70
O=C(C1=C2C=CSC2=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904908	1	32	-1.0	-52.79	280.94	3.04	-49.75
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904909	0	37	-1.0	-57.69	333.85	5.95	-51.74
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904909	1	37	-1.0	-57.68	333.91	5.97	-51.71
COC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Br)=C1	REAL300019904910	0	40	-1.0	-52.73	346.33	5.20	-47.53
COC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Br)=C1	REAL300019904910	1	40	-1.0	-52.76	346.39	5.23	-47.53
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904911	0	39	-1.0	-69.92	328.44	4.00	-65.92
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904911	1	39	-1.0	-69.89	328.38	3.98	-65.91
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904912	0	36	-1.0	-51.13	327.72	5.99	-45.14
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904912	1	36	-1.0	-51.17	327.78	6.01	-45.16
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904913	0	44	-1.0	-49.07	378.36	7.12	-41.95
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904913	1	44	-1.0	-49.08	378.42	7.15	-41.93
O=C(C1=C(Br)N=C2COCCN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904914	0	35	-1.0	-53.68	315.47	2.09	-51.59
O=C(C1=C(Br)N=C2COCCN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904914	1	35	-1.0	-53.64	315.53	2.11	-51.53
CC1=CC=CC=C1COCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904915	0	40	-1.0	-58.74	329.98	5.76	-52.98
CC1=CC=CC=C1COCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904915	1	40	-1.0	-58.78	330.04	5.79	-52.99
CC1=CC=CC(COCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904916	0	40	-1.0	-57.49	335.15	5.75	-51.74
CC1=CC=CC(COCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904916	1	40	-1.0	-57.50	335.21	5.78	-51.72
O=C(C1=C2SC=CC2=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904917	0	32	-1.0	-57.52	283.15	4.12	-53.40
O=C(C1=C2SC=CC2=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904917	1	32	-1.0	-57.53	283.09	4.10	-53.43
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904918	0	41	-1.0	-51.82	344.71	4.93	-46.89
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904918	1	41	-1.0	-51.85	344.77	4.95	-46.90
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904919	0	39	-1.0	-67.94	310.74	2.84	-65.10
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904919	1	39	-1.0	-67.91	310.80	2.86	-65.05
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019904920	0	36	-2.0	-100.62	319.58	-0.39	-101.01
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019904920	1	36	-2.0	-100.62	319.53	-0.42	-101.04
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019904920	1	37	-1.0	-58.82	319.50	-0.19	-59.01
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019904920	1	37	-1.0	-58.80	319.44	-0.21	-59.01
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904921	0	36	-1.0	-52.58	309.49	2.98	-49.60
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904921	1	36	-1.0	-52.55	309.43	2.96	-49.59
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904922	0	33	-1.0	-49.23	305.60	3.75	-45.48
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904922	1	33	-1.0	-49.19	305.54	3.72	-45.47
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904923	0	41	-1.0	-50.02	332.12	2.93	-47.09
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904923	1	41	-1.0	-50.02	332.06	2.91	-47.11
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904924	0	36	-1.0	-51.34	341.30	5.84	-45.50
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904924	1	36	-1.0	-51.37	341.24	5.81	-45.56
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904925	0	47	-1.0	-54.91	371.48	2.76	-52.15
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904925	1	47	-1.0	-54.91	371.54	2.79	-52.12
CC1=CC=C(COCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904926	0	40	-1.0	-57.43	335.12	5.76	-51.67
CC1=CC=C(COCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904926	1	40	-1.0	-57.43	335.17	5.79	-51.64
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904927	0	33	-1.0	-49.74	296.52	2.82	-46.92
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904927	1	33	-1.0	-49.75	296.57	2.83	-46.92
O=C(C1=CC(C(F)F)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904928	0	33	-1.0	-37.89	279.01	4.05	-33.84
O=C(C1=CC(C(F)F)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904928	1	33	-1.0	-37.89	279.04	4.05	-33.84
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904929	0	44	-1.0	-58.20	349.79	4.61	-53.59
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904929	1	44	-1.0	-58.22	349.85	4.64	-53.58
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(SCC2=CC=CC=C2)=N1	REAL300019904930	0	43	-1.0	-50.18	379.65	6.51	-43.67
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(SCC2=CC=CC=C2)=N1	REAL300019904930	1	43	-1.0	-50.21	379.70	6.53	-43.68
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904931	0	37	-1.0	-56.72	316.75	4.71	-52.01
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904931	1	37	-1.0	-56.74	316.70	4.69	-52.05
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904932	0	32	-1.0	-53.33	296.82	3.61	-49.72
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904932	1	32	-1.0	-53.38	296.76	3.60	-49.78
COC1=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(OC)=C1O	REAL300019904933	0	45	-1.0	-53.39	370.13	2.48	-50.91
COC1=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(OC)=C1O	REAL300019904933	1	45	-1.0	-53.42	370.18	2.51	-50.91
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904934	0	40	-1.0	-51.84	336.86	3.92	-47.92
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904934	1	40	-1.0	-51.87	336.92	3.94	-47.93
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904935	0	46	-1.0	-53.90	372.98	7.27	-46.63
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904935	1	46	-1.0	-53.90	372.92	7.25	-46.65
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904936	0	40	-1.0	-51.48	343.91	3.97	-47.51
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904936	1	40	-1.0	-51.44	343.85	3.96	-47.48
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904937	0	42	-1.0	-55.78	328.60	4.06	-51.72
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904937	1	42	-1.0	-55.79	328.66	4.09	-51.70
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904938	0	33	-1.0	-55.20	301.72	3.86	-51.34
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904938	1	33	-1.0	-55.23	301.66	3.85	-51.38
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904939	0	40	-1.0	-55.09	344.75	3.96	-51.13
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904939	1	40	-1.0	-55.10	344.70	3.94	-51.16
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904940	0	41	-1.0	-53.86	335.45	4.00	-49.86
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904940	1	41	-1.0	-53.85	335.50	4.03	-49.82
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904941	0	41	-1.0	-56.65	337.47	4.05	-52.60
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904941	1	41	-1.0	-56.65	337.52	4.07	-52.58
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904942	0	36	-1.0	-38.40	311.92	4.53	-33.87
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904942	1	36	-1.0	-38.41	311.85	4.55	-33.86
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC[C@H]3C3=N[N-]N=N3)[C@@H]2C1	REAL300019904943	0	51	-1.0	-53.13	394.07	5.11	-48.02
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC[C@H]3C3=NN=N[N-]3)[C@@H]2C1	REAL300019904943	1	51	-1.0	-53.10	394.13	5.13	-47.97
COC(=O)C=CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL300019904944	0	37	-1.0	-51.74	326.39	4.20	-47.54
COC(=O)C=CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL300019904944	1	37	-1.0	-51.72	326.44	4.23	-47.49
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904945	0	46	-1.0	-53.14	364.31	7.48	-45.66
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904945	1	46	-1.0	-53.15	364.38	7.50	-45.65
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904946	0	56	-1.0	-54.03	424.49	6.30	-47.73
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904946	1	56	-1.0	-54.08	424.54	6.33	-47.75
COC(=O)C1=C(C)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL300019904947	0	36	-1.0	-48.34	310.68	3.43	-44.91
COC(=O)C1=C(C)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL300019904947	1	36	-1.0	-48.32	310.74	3.46	-44.86
COC(=O)C1=CN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL300019904948	0	36	-1.0	-58.68	316.28	2.78	-55.90
COC(=O)C1=CN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL300019904948	1	36	-1.0	-58.62	316.22	2.75	-55.87
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904949	0	55	-1.0	-48.46	413.15	3.92	-44.54
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904949	1	55	-1.0	-48.44	413.21	3.95	-44.49
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300019904950	0	54	-1.0	-64.58	410.45	4.71	-59.87
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300019904950	1	54	-1.0	-64.61	410.51	4.73	-59.88
C[C@@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019904951	0	46	-1.0	-58.04	365.10	2.73	-55.31
C[C@@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019904951	1	46	-1.0	-58.01	365.16	2.75	-55.26
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019904952	0	48	-1.0	-55.50	383.59	3.31	-52.19
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019904952	1	48	-1.0	-55.44	383.65	3.33	-52.11
NC(=O)C1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL300019904953	0	35	-1.0	-53.12	310.78	0.25	-52.87
NC(=O)C1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL300019904953	1	35	-1.0	-53.11	310.84	0.28	-52.83
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL300019904954	0	35	-1.0	-52.94	310.46	-2.28	-55.22
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL300019904954	1	35	-1.0	-52.92	310.52	-2.26	-55.18
CSC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904955	0	35	-1.0	-56.57	301.43	2.83	-53.74
CSC1=CC=C(O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904955	1	35	-1.0	-56.54	301.49	2.85	-53.69
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904956	0	34	-1.0	-51.94	306.01	2.47	-49.47
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904956	1	34	-1.0	-51.94	306.07	2.50	-49.44
CC1=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300019904957	0	47	-1.0	-57.37	382.48	8.53	-48.84
CC1=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300019904957	1	47	-1.0	-57.36	382.54	8.56	-48.80
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCC[C@H]4C4=NN=N[N-]4)=CC=C32)=C1	REAL300019904958	0	46	-1.0	-55.67	378.78	8.85	-46.82
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCC[C@H]4C4=N[N-]N=N4)=CC=C32)=C1	REAL300019904958	1	46	-1.0	-55.71	378.73	8.83	-46.88
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C21	REAL300019904959	0	38	-1.0	-47.08	327.74	3.05	-44.03
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C21	REAL300019904959	1	38	-1.0	-47.04	327.68	3.03	-44.01
O=C(C1CCC2=CC(F)=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904960	0	37	-1.0	-52.85	309.10	5.72	-47.13
O=C(C1CCC2=CC(F)=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904960	1	37	-1.0	-52.86	309.16	5.74	-47.12
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C	REAL300019904961	0	43	-1.0	-53.36	344.68	7.18	-46.18
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C	REAL300019904961	1	43	-1.0	-53.39	344.73	7.20	-46.19
CCOCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019904962	0	40	-1.0	-52.54	331.35	2.24	-50.30
CCOCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019904962	1	40	-1.0	-52.58	331.30	2.22	-50.36
O=C(C1CCCC1CC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904963	0	46	-1.0	-56.72	359.16	7.65	-49.07
O=C(C1CCCC1CC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904963	1	46	-1.0	-56.71	359.22	7.67	-49.04
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904964	0	43	-1.0	-53.03	352.94	6.02	-47.01
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904964	1	43	-1.0	-53.05	352.88	6.01	-47.04
CCOC1=CC=CC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904965	0	41	-1.0	-55.73	339.56	5.36	-50.37
CCOC1=CC=CC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904965	1	41	-1.0	-55.76	339.62	5.39	-50.37
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904966	0	33	-1.0	-53.23	301.86	5.23	-48.00
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904966	1	33	-1.0	-53.26	301.92	5.25	-48.01
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904967	0	37	-1.0	-48.25	331.78	4.86	-43.39
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904967	1	37	-1.0	-48.24	331.83	4.88	-43.36
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904968	0	47	-1.0	-52.17	377.45	3.74	-48.43
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904968	1	47	-1.0	-52.19	377.51	3.77	-48.42
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904969	0	40	-1.0	-57.54	330.79	2.58	-54.96
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904969	1	40	-1.0	-57.59	330.73	2.56	-55.03
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019904970	0	39	-1.0	-57.64	341.18	4.17	-53.47
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019904970	1	39	-1.0	-57.67	341.24	4.20	-53.47
COC1=CC=CC(C(OC)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904971	0	41	-1.0	-56.27	332.17	3.68	-52.59
COC1=CC=CC(C(OC)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904971	1	41	-1.0	-56.30	332.23	3.70	-52.60
COCCOCCOCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904972	0	47	-1.0	-59.66	385.35	2.08	-57.58
COCCOCCOCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904972	1	47	-1.0	-59.69	385.41	2.11	-57.58
COC1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2C=C1OC	REAL300019904973	0	44	-1.0	-56.23	356.16	5.04	-51.19
COC1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2C=C1OC	REAL300019904973	1	44	-1.0	-56.21	356.22	5.06	-51.15
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904974	0	42	-1.0	-67.00	328.56	2.77	-64.23
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904974	1	42	-1.0	-66.96	328.51	2.74	-64.22
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904975	0	43	-2.0	-134.14	358.63	5.00	-129.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904975	1	43	-2.0	-134.17	358.69	5.03	-129.14
CC(=O)NC1=CNC(=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904976	0	37	-1.0	-66.97	308.22	-0.97	-67.94
CC(=O)NC1=CNC(=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904976	1	37	-1.0	-66.95	308.29	-0.98	-67.93
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904977	0	36	-2.0	-93.07	307.94	3.35	-89.72
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904977	1	36	-2.0	-93.03	307.88	3.34	-89.69
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904977	1	36	-2.0	-89.53	308.67	3.30	-86.23
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904977	1	36	-2.0	-89.57	308.61	3.28	-86.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904978	0	33	-2.0	-87.82	294.50	1.12	-86.70
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904978	1	33	-2.0	-87.83	294.45	1.09	-86.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904978	1	33	-2.0	-87.80	294.57	1.12	-86.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904978	1	33	-2.0	-87.79	294.51	1.09	-86.70
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904979	0	42	-1.0	-64.60	364.67	3.76	-60.84
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904979	1	42	-1.0	-64.59	364.61	3.73	-60.86
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904980	0	36	-1.0	-47.32	340.70	1.58	-45.74
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904980	1	36	-1.0	-47.27	340.64	1.57	-45.70
O=C(C1=C(C(F)(F)F)C=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904981	0	30	-1.0	-50.64	268.50	1.57	-49.07
O=C(C1=C(C(F)(F)F)C=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904981	1	30	-1.0	-50.64	268.56	1.59	-49.05
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904982	0	36	-2.0	-105.70	313.26	-0.82	-106.52
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904982	1	36	-2.0	-105.72	313.32	-0.80	-106.52
CN1C=CC(NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)=N1	REAL300019904983	0	42	-1.0	-46.40	337.82	4.03	-42.37
CN1C=CC(NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)=N1	REAL300019904983	1	42	-1.0	-46.40	337.76	4.04	-42.36
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904984	0	44	-1.0	-50.42	350.96	3.74	-46.68
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904984	1	44	-1.0	-50.40	351.02	3.76	-46.64
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904985	0	41	-1.0	-56.29	332.58	1.82	-54.47
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904985	1	41	-1.0	-56.31	332.63	1.84	-54.47
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(I)=NN1	REAL300019904986	0	30	-1.0	-48.48	288.48	1.81	-46.67
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(I)=NN1	REAL300019904986	1	30	-1.0	-48.50	288.54	1.83	-46.67
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904987	0	39	-1.0	-54.33	322.48	5.18	-49.15
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904987	1	39	-1.0	-54.34	322.53	5.18	-49.16
O=C(CCC1=NN=C(C2CC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904988	0	38	-1.0	-51.72	324.16	0.05	-51.67
O=C(CCC1=NN=C(C2CC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904988	1	38	-1.0	-51.70	324.21	0.07	-51.63
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904989	0	48	-1.0	-55.71	380.01	0.30	-55.41
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904989	1	48	-1.0	-55.69	380.07	0.32	-55.37
CC(=O)NC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=N1	REAL300019904990	0	36	-1.0	-56.13	302.50	2.16	-53.97
CC(=O)NC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=N1	REAL300019904990	1	36	-1.0	-56.10	302.45	2.15	-53.95
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904991	0	50	-1.0	-53.01	380.27	6.05	-46.96
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904991	1	50	-1.0	-53.02	380.33	6.07	-46.95
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904992	0	39	-1.0	-66.04	329.33	6.66	-59.38
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904992	1	39	-1.0	-66.01	329.27	6.63	-59.38
O=C(C1=NC=C2C(F)=CC=CN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904993	0	33	-1.0	-52.45	285.38	5.02	-47.43
O=C(C1=NC=C2C(F)=CC=CN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904993	1	33	-1.0	-52.42	285.33	4.99	-47.43
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904994	0	37	-1.0	-59.32	332.51	5.34	-53.98
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904994	1	37	-1.0	-59.28	332.57	5.36	-53.92
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904995	0	38	-1.0	-56.70	329.57	3.85	-52.85
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904995	1	38	-1.0	-56.71	329.63	3.87	-52.84
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904996	0	41	-1.0	-46.68	314.84	-1.56	-48.24
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904996	1	41	-1.0	-46.73	314.91	-1.56	-48.29
NC1=C2N=CN(CCC(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=NC=N1	REAL300019904997	0	39	-1.0	-51.64	332.80	4.05	-47.59
NC1=C2N=CN(CCC(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=NC=N1	REAL300019904997	1	39	-1.0	-51.63	332.74	4.03	-47.60
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904998	0	35	-1.0	-54.72	310.87	0.07	-54.65
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904998	1	35	-1.0	-54.71	310.93	0.08	-54.63
O=C(C1=CNN=C1I)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904999	0	27	-1.0	-52.67	259.65	0.96	-51.71
O=C(C1=CNN=C1I)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904999	1	27	-1.0	-52.65	259.71	0.97	-51.68
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905000	0	33	-1.0	-53.33	296.69	-1.35	-54.68
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905000	1	33	-1.0	-53.33	296.74	-1.32	-54.65
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905001	0	52	-1.0	-50.66	393.04	2.30	-48.36
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905001	1	52	-1.0	-50.67	393.10	2.32	-48.35
C#CCN(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019905002	0	45	-1.0	-54.52	372.24	5.25	-49.27
C#CCN(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019905002	1	45	-1.0	-54.52	372.29	5.27	-49.25
CC1=CC=C(C(=O)C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019905003	0	39	-1.0	-50.53	332.15	5.72	-44.81
CC1=CC=C(C(=O)C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019905003	1	39	-1.0	-50.51	332.21	5.75	-44.76
O=C(C1=CC=C2NC=NC2=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905004	0	33	-1.0	-66.58	282.62	3.23	-63.35
O=C(C1=CC=C2NC=NC2=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905004	1	33	-1.0	-66.58	282.68	3.26	-63.32
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019905005	0	37	-1.0	-45.21	306.25	2.98	-42.23
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019905005	1	37	-1.0	-45.17	306.19	2.98	-42.19
CCN1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN=C1Br	REAL300019905006	0	33	-1.0	-48.35	292.37	3.40	-44.95
CCN1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN=C1Br	REAL300019905006	1	33	-1.0	-48.32	292.32	3.38	-44.94
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905007	0	33	-1.0	-62.80	302.37	1.75	-61.05
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905007	1	33	-1.0	-62.79	302.43	1.77	-61.02
O=C(NC(CO)C(=O)N1CCC[C@H]1C1=N[N-]N=N1)OCC1=CC=CC=C1	REAL300019905008	0	45	-1.0	-53.72	376.59	0.02	-53.70
O=C(NC(CO)C(=O)N1CCC[C@H]1C1=NN=N[N-]1)OCC1=CC=CC=C1	REAL300019905008	1	45	-1.0	-53.69	376.64	0.05	-53.64
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905009	0	33	-1.0	-48.63	307.08	4.98	-43.65
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905009	1	33	-1.0	-48.61	307.03	4.96	-43.65
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)=NO2	REAL300019905010	0	49	-1.0	-50.42	395.71	2.91	-47.51
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)=NO2	REAL300019905010	1	49	-1.0	-50.40	395.76	2.94	-47.46
CN1N=C(I)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905011	0	30	-1.0	-47.02	278.80	2.33	-44.69
CN1N=C(I)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905011	1	30	-1.0	-47.01	278.74	2.32	-44.69
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019905012	0	53	-1.0	-59.94	406.25	3.89	-56.05
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019905012	1	53	-1.0	-59.94	406.30	3.91	-56.03
CC(=CC1=CC=C(Br)O1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905013	0	34	-1.0	-50.33	299.65	4.42	-45.91
CC(=CC1=CC=C(Br)O1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905013	1	34	-1.0	-50.35	299.71	4.45	-45.90
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905014	0	40	-1.0	-42.74	347.33	3.92	-38.82
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905014	1	40	-1.0	-42.73	347.25	3.92	-38.81
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C(CCO)C2=O)=N1	REAL300019905015	0	48	-2.0	-114.44	405.69	3.04	-111.40
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C(CCO)C2=O)=N1	REAL300019905015	1	48	-2.0	-114.41	405.74	3.05	-111.36
O=CC1=CNC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C12	REAL300019905016	0	36	-1.0	-55.59	306.38	3.36	-52.23
O=CC1=CNC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C12	REAL300019905016	1	36	-1.0	-55.62	306.44	3.38	-52.24
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1C	REAL300019905017	0	49	-1.0	-58.68	401.56	8.13	-50.55
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1C	REAL300019905017	1	49	-1.0	-58.70	401.62	8.16	-50.54
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019905018	0	46	-1.0	-61.39	378.16	7.13	-54.26
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019905018	1	46	-1.0	-61.38	378.22	7.16	-54.22
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019905019	0	49	-1.0	-58.10	410.02	8.39	-49.71
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019905019	1	49	-1.0	-58.07	410.08	8.42	-49.65
O=CC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019905020	0	32	-1.0	-53.02	295.27	3.88	-49.14
O=CC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019905020	1	32	-1.0	-53.03	295.32	3.90	-49.13
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905021	0	37	-1.0	-50.21	307.46	-1.02	-51.23
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905021	1	37	-1.0	-50.21	307.40	-1.04	-51.25
O=CC1=CN=C2C(Br)=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN12	REAL300019905022	0	35	-1.0	-56.51	327.97	4.53	-51.98
O=CC1=CN=C2C(Br)=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN12	REAL300019905022	1	35	-1.0	-56.49	327.91	4.51	-51.98
O=C(C1=CN=C2SC=CC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905023	0	32	-1.0	-50.81	283.33	3.02	-47.79
O=C(C1=CN=C2SC=CC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905023	1	32	-1.0	-50.81	283.27	2.99	-47.82
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905024	0	32	-1.0	-50.79	294.56	3.12	-47.67
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905024	1	32	-1.0	-50.76	294.51	3.10	-47.66
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905025	0	44	-1.0	-62.12	369.48	3.06	-59.06
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905025	1	44	-1.0	-62.14	369.54	3.08	-59.06
O=C(C1=COC(C(F)(F)F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905026	0	29	-1.0	-46.16	272.17	0.50	-45.66
O=C(C1=COC(C(F)(F)F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905026	1	29	-1.0	-46.18	272.11	0.48	-45.70
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905027	0	32	-1.0	-53.31	299.11	3.59	-49.72
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905027	1	32	-1.0	-53.33	299.05	3.57	-49.76
COC1=CC=C(C=O)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905028	0	36	-1.0	-42.11	292.68	3.40	-38.71
COC1=CC=C(C=O)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905028	1	36	-1.0	-42.11	292.73	3.40	-38.71
CS(=O)(=O)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019905029	0	35	-1.0	-52.73	305.14	-1.07	-53.80
CS(=O)(=O)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019905029	1	35	-1.0	-52.72	305.19	-1.04	-53.76
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905030	0	40	-1.0	-53.34	347.10	6.92	-46.42
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905030	1	40	-1.0	-53.38	347.16	6.94	-46.44
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905031	0	43	-1.0	-53.48	359.82	6.02	-47.46
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905031	1	43	-1.0	-53.47	359.77	5.99	-47.48
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCC[C@H]4C4=N[N-]N=N4)O3)C2=NC=N1	REAL300019905032	0	47	-1.0	-61.75	386.58	5.26	-56.49
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCC[C@H]4C4=NN=N[N-]4)O3)C2=NC=N1	REAL300019905032	1	47	-1.0	-61.72	386.64	5.28	-56.44
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905033	0	42	-1.0	-47.29	357.85	3.20	-44.09
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905033	1	42	-1.0	-47.32	357.92	3.22	-44.10
CC1=NC(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)S2)=CS1	REAL300019905034	0	36	-1.0	-54.03	330.14	4.16	-49.87
CC1=NC(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)S2)=CS1	REAL300019905034	1	36	-1.0	-54.08	330.09	4.14	-49.94
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905035	0	46	-1.0	-58.31	384.23	6.23	-52.08
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905035	1	46	-1.0	-58.34	384.28	6.26	-52.08
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905036	0	44	-1.0	-60.36	355.74	6.70	-53.66
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905036	1	44	-1.0	-60.36	355.80	6.72	-53.64
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905037	0	42	-1.0	-59.45	345.58	0.62	-58.83
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905037	1	42	-1.0	-59.53	345.64	0.64	-58.89
COC(=O)C1=NN(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019905038	0	36	-1.0	-48.52	306.41	1.95	-46.57
COC(=O)C1=NN(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019905038	1	36	-1.0	-48.49	306.35	1.93	-46.56
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C[C@H]1C	REAL300019905039	0	40	-1.0	-63.24	327.67	3.99	-59.25
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C[C@H]1C	REAL300019905039	1	40	-1.0	-63.25	327.73	4.00	-59.25
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019905040	0	51	-1.0	-55.00	402.05	7.82	-47.18
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019905040	1	51	-1.0	-55.00	402.11	7.85	-47.15
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019905041	0	46	-1.0	-56.56	372.41	5.40	-51.16
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019905041	1	46	-1.0	-56.56	372.47	5.43	-51.13
COC1=CC=C(NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)C(OC)=C1	REAL300019905042	0	50	-1.0	-54.44	398.47	4.58	-49.86
COC1=CC=C(NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)C(OC)=C1	REAL300019905042	1	50	-1.0	-54.44	398.53	4.61	-49.83
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019905043	0	54	-1.0	-53.83	407.87	8.75	-45.08
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019905043	1	54	-1.0	-53.86	407.94	8.76	-45.10
O=C(C=CC1=CC=C(Cl)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905044	0	31	-1.0	-50.62	295.44	4.86	-45.76
O=C(C=CC1=CC=C(Cl)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905044	1	31	-1.0	-50.60	295.50	4.88	-45.72
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905045	0	38	-1.0	-57.41	333.07	5.01	-52.40
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905045	1	38	-1.0	-57.46	333.13	5.03	-52.43
O=C(C1=NN(C2CCOCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905046	0	41	-1.0	-55.27	329.73	2.82	-52.45
O=C(C1=NN(C2CCOCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905046	1	41	-1.0	-55.24	329.67	2.80	-52.44
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)OC2=O	REAL300019905047	0	43	-1.0	-46.97	329.12	4.59	-42.38
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)OC2=O	REAL300019905047	1	43	-1.0	-47.01	329.18	4.62	-42.39
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905048	0	38	-1.0	-53.66	325.98	6.99	-46.67
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905048	1	38	-1.0	-53.69	326.04	7.02	-46.67
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300019905049	0	40	-1.0	-52.02	330.79	6.24	-45.78
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300019905049	1	40	-1.0	-52.04	330.85	6.26	-45.78
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905050	0	38	-1.0	-65.20	310.69	1.99	-63.21
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905050	1	38	-1.0	-65.23	310.74	2.01	-63.22
CC1=CN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1C(F)(F)F	REAL300019905051	0	36	-1.0	-59.04	321.14	3.69	-55.35
CC1=CN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1C(F)(F)F	REAL300019905051	1	36	-1.0	-59.00	321.09	3.66	-55.34
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905052	0	44	-1.0	-53.70	352.83	-1.85	-55.55
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905052	1	44	-1.0	-53.69	352.89	-1.83	-55.52
COC1=CC(CO)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905053	0	38	-1.0	-60.42	312.59	1.18	-59.24
COC1=CC(CO)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905053	1	38	-1.0	-60.39	312.64	1.21	-59.18
O=C(CC1CCN(CC(F)F)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905054	0	44	-1.0	-52.70	344.39	3.59	-49.11
O=C(CC1CCN(CC(F)F)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905054	1	44	-1.0	-52.69	344.45	3.61	-49.08
COC1=CC(OC)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C=O	REAL300019905055	0	40	-1.0	-48.70	318.18	3.04	-45.66
COC1=CC(OC)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C=O	REAL300019905055	1	40	-1.0	-48.69	318.24	3.05	-45.64
NC1=C2N=CN(CCCC(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=NC=N1	REAL300019905056	0	42	-1.0	-64.78	354.30	4.86	-59.92
NC1=C2N=CN(CCCC(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=NC=N1	REAL300019905056	1	42	-1.0	-64.78	354.25	4.83	-59.95
NC1=C2N=CN(CCCCC(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=NC=N1	REAL300019905057	0	45	-1.0	-56.24	375.74	5.61	-50.63
NC1=C2N=CN(CCCCC(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=NC=N1	REAL300019905057	1	45	-1.0	-56.25	375.79	5.64	-50.61
O=C(CC(O)COCC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905058	0	44	-1.0	-60.46	366.03	3.35	-57.11
O=C(CC(O)COCC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905058	1	44	-1.0	-60.44	366.09	3.38	-57.06
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905059	0	41	-1.0	-57.27	346.69	3.77	-53.50
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905059	1	41	-1.0	-57.34	346.75	3.79	-53.55
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019905060	0	50	-1.0	-52.73	386.32	4.81	-47.92
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019905060	1	50	-1.0	-52.67	386.38	4.83	-47.84
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905061	0	36	-1.0	-56.13	319.41	5.79	-50.34
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905061	1	36	-1.0	-56.13	319.36	5.77	-50.36
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019905062	0	40	-1.0	-60.48	325.57	1.38	-59.10
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019905062	1	40	-1.0	-60.49	325.63	1.38	-59.11
CC1CCC2=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN2C1	REAL300019905063	0	40	-1.0	-55.79	319.64	5.18	-50.61
CC1CCC2=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN2C1	REAL300019905063	1	40	-1.0	-55.79	319.70	5.19	-50.60
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905064	0	44	-1.0	-55.82	362.40	8.55	-47.27
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905064	1	44	-1.0	-55.83	362.46	8.58	-47.25
O=C(C1=CC(N2CCCC2=O)=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905065	0	40	-1.0	-65.51	323.41	2.83	-62.68
O=C(C1=CC(N2CCCC2=O)=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905065	1	40	-1.0	-65.58	323.35	2.80	-62.78
NC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019905066	0	36	-1.0	-55.49	311.12	-0.25	-55.74
NC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019905066	1	36	-1.0	-55.48	311.06	-0.28	-55.76
CC1=C(C)C(=O)N(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL300019905067	0	40	-1.0	-56.86	342.17	3.29	-53.57
CC1=C(C)C(=O)N(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL300019905067	1	40	-1.0	-56.91	342.23	3.32	-53.59
O=C(C1CC2CSCC(C1)C2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905068	0	40	-1.0	-56.29	310.90	3.88	-52.41
O=C(C1CC2CSCC(C1)C2=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905068	1	40	-1.0	-56.32	310.96	3.91	-52.41
CCOC(=O)C1CCCN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019905069	0	47	-1.0	-52.57	371.23	3.60	-48.97
CCOC(=O)C1CCCN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019905069	1	47	-1.0	-52.57	371.29	3.62	-48.95
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019905069	1	48	0.0	-61.74	367.09	5.93	-55.81
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019905069	1	48	0.0	-58.05	365.68	5.33	-52.72
CCC(C)C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300019905070	0	45	-1.0	-52.97	342.50	5.41	-47.56
CCC(C)C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300019905070	1	45	-1.0	-52.94	342.56	5.42	-47.52
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905071	0	50	0.0	-52.95	355.68	4.21	-48.74
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905071	1	50	0.0	-52.99	355.74	4.22	-48.77
O=C(C1CCC(N2CCOCC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905071	1	49	-1.0	-52.78	356.49	1.92	-50.86
O=C(C1CCC(N2CCOCC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905071	1	49	-1.0	-52.74	356.55	1.95	-50.79
O=CC1=CC(F)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL300019905072	0	32	-1.0	-38.56	276.59	2.94	-35.62
O=CC1=CC(F)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL300019905072	1	32	-1.0	-38.55	276.66	2.95	-35.60
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905073	0	51	-1.0	-71.72	412.25	7.00	-64.72
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905073	1	51	-1.0	-71.68	412.31	7.02	-64.66
CN1CCOC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL300019905074	0	40	-1.0	-54.52	315.85	2.13	-52.39
CN1CCOC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL300019905074	1	40	-1.0	-54.57	315.91	2.16	-52.41
CC1CCN2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=C2C1	REAL300019905075	0	40	-1.0	-55.89	319.65	5.20	-50.69
CC1CCN2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=C2C1	REAL300019905075	1	40	-1.0	-55.91	319.71	5.22	-50.69
CCOC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL300019906202	0	39	-1.0	-56.33	324.14	3.24	-53.09
CCOC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL300019906202	1	39	-1.0	-56.36	324.19	3.27	-53.09
O=C(C(O)C1=CC=C(C2CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906203	0	41	-1.0	-53.64	327.65	4.38	-49.26
O=C(C(O)C1=CC=C(C2CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906203	1	41	-1.0	-53.59	327.71	4.41	-49.18
CC1=CC=C2C(=C1)CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)S2(=O)=O	REAL300019906204	0	40	-1.0	-54.71	341.69	2.47	-52.24
CC1=CC=C2C(=C1)CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)S2(=O)=O	REAL300019906204	1	40	-1.0	-54.74	341.75	2.49	-52.25
O=C(CC(NC1CC1)C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906205	0	38	-1.0	-46.22	322.04	2.31	-43.91
O=C(CC(NC1CC1)C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906205	1	38	-1.0	-46.26	322.10	2.34	-43.92
O=C(C1=CC2=C(F)C(Br)=CC=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906206	0	34	-1.0	-52.93	311.10	4.75	-48.18
O=C(C1=CC2=C(F)C(Br)=CC=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906206	1	34	-1.0	-52.95	311.16	4.77	-48.18
COC1=CC(C)=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NC2=C1	REAL300019906207	0	41	-1.0	-53.03	333.67	3.99	-49.04
COC1=CC(C)=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NC2=C1	REAL300019906207	1	41	-1.0	-53.01	333.72	4.01	-49.00
O=C(C1=CC2=CC=C(Cl)C(F)=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906208	0	34	-1.0	-48.76	306.59	4.63	-44.13
O=C(C1=CC2=CC=C(Cl)C(F)=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906208	1	34	-1.0	-48.76	306.64	4.65	-44.11
O=C(C1=CC=C(C2(F)COC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906209	0	38	-1.0	-41.33	308.15	2.94	-38.39
O=C(C1=CC=C(C2(F)COC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906209	1	38	-1.0	-41.37	308.21	2.93	-38.44
CC1=C(Cl)C2=NC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2C=C1	REAL300019906210	0	38	-1.0	-51.64	324.77	5.09	-46.55
CC1=C(Cl)C2=NC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2C=C1	REAL300019906210	1	38	-1.0	-51.62	324.82	5.11	-46.51
O=C(CN1C=CC2=CC=C(Br)C=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906211	0	37	-1.0	-57.99	333.70	6.72	-51.27
O=C(CN1C=CC2=CC=C(Br)C=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906211	1	37	-1.0	-58.01	333.75	6.75	-51.26
O=C(C1CCOC2(CCOCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906212	0	45	-1.0	-55.12	332.93	2.27	-52.85
O=C(C1CCOC2(CCOCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906212	1	45	-1.0	-55.11	332.99	2.29	-52.82
O=C(C1=CC2=C(SC=C2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906213	0	30	-1.0	-51.47	279.57	4.07	-47.40
O=C(C1=CC2=C(SC=C2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906213	1	30	-1.0	-51.49	279.63	4.09	-47.40
CCC1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)C2=CC3=C(C=CS3)N21	REAL300019906214	0	45	-1.0	-69.69	388.67	6.62	-63.07
CCC1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)C2=CC3=C(C=CS3)N21	REAL300019906214	1	45	-1.0	-69.75	388.72	6.64	-63.11
COC1=NN2C(=NN=C2CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906215	0	41	-1.0	-55.85	350.10	2.24	-53.61
COC1=NN2C(=NN=C2CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906215	1	41	-1.0	-55.83	350.16	2.26	-53.57
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019906216	0	35	-2.0	-98.71	304.18	3.99	-94.72
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019906216	1	35	-2.0	-98.74	304.23	4.02	-94.72
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906217	0	52	-1.0	-49.35	399.25	3.51	-45.84
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906217	1	52	-1.0	-49.40	399.30	3.53	-45.87
CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906218	0	52	-1.0	-49.56	398.95	2.58	-46.98
CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906218	1	52	-1.0	-49.56	398.99	2.61	-46.95
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019906219	0	30	-1.0	-43.54	287.86	1.51	-42.03
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019906219	1	30	-1.0	-43.60	287.91	1.53	-42.07
O=C(C1CC(=O)C2=CC=CC=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906220	0	37	-1.0	-53.66	309.15	4.56	-49.10
O=C(C1CC(=O)C2=CC=CC=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906220	1	37	-1.0	-53.65	309.21	4.59	-49.06
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(Br)S1	REAL300019906221	0	30	-1.0	-49.31	283.32	4.05	-45.26
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(Br)S1	REAL300019906221	1	30	-1.0	-49.33	283.38	4.06	-45.27
COC1=CC(C)=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)OC2=C1	REAL300019906222	0	40	-1.0	-51.21	333.18	4.35	-46.86
COC1=CC(C)=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)OC2=C1	REAL300019906222	1	40	-1.0	-51.21	333.24	4.38	-46.83
CC(C)(C)OC(=O)NC(CC1CC=CCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906223	0	57	-1.0	-50.79	425.86	5.67	-45.12
CC(C)(C)OC(=O)NC(CC1CC=CCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906223	1	57	-1.0	-50.75	425.91	5.69	-45.06
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCOC1	REAL300019906224	0	54	-1.0	-52.32	410.52	3.05	-49.27
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCOC1	REAL300019906224	1	54	-1.0	-52.32	410.58	3.08	-49.24
O=C(C1=CC2=CC=NC=C2C(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906225	0	35	-1.0	-49.44	298.40	1.62	-47.82
O=C(C1=CC2=CC=NC=C2C(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906225	1	35	-1.0	-49.40	298.46	1.65	-47.75
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1(O)CCOCC1	REAL300019906226	0	38	-1.0	-44.17	301.48	0.58	-43.59
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1(O)CCOCC1	REAL300019906226	1	38	-1.0	-44.17	301.54	0.60	-43.57
O=C(C1=C(Br)C(C(F)(F)F)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906227	0	30	-1.0	-46.81	289.13	1.99	-44.82
O=C(C1=C(Br)C(C(F)(F)F)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906227	1	30	-1.0	-46.78	289.19	2.01	-44.77
O=C(CS(=O)(=O)CCC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906228	0	35	-1.0	-67.40	321.87	0.79	-66.61
O=C(CS(=O)(=O)CCC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906228	1	35	-1.0	-67.41	321.93	0.81	-66.60
CN(C)C1=NC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C2N1	REAL300019906229	0	41	-1.0	-57.38	333.98	5.26	-52.12
CN(C)C1=NC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C2N1	REAL300019906229	1	41	-1.0	-57.37	334.04	5.28	-52.09
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906230	0	33	-2.0	-95.21	295.24	2.74	-92.47
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906230	1	33	-2.0	-95.26	295.29	2.76	-92.50
CC1=CC(O)=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906230	1	34	-1.0	-50.58	297.73	1.95	-48.63
CC1=CC(O)=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906230	1	34	-1.0	-50.58	297.79	1.97	-48.61
O=C(C1=CC(=O)NC2=NC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906231	0	35	-1.0	-53.30	304.58	1.94	-51.36
O=C(C1=CC(=O)NC2=NC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906231	1	35	-1.0	-53.29	304.52	1.92	-51.37
O=C(C1=C(Br)N2C=CC=CC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906232	0	33	-1.0	-57.09	300.57	5.41	-51.68
O=C(C1=C(Br)N2C=CC=CC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906232	1	33	-1.0	-57.10	300.51	5.38	-51.72
O=C(C1=NC2=C(COCC2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906233	0	34	-1.0	-57.92	291.46	0.74	-57.18
O=C(C1=NC2=C(COCC2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906233	1	34	-1.0	-57.93	291.51	0.77	-57.16
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906234	0	56	-1.0	-64.96	422.03	6.89	-58.07
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906234	1	56	-1.0	-64.96	422.09	6.91	-58.05
CCC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019906235	0	45	-1.0	-52.09	353.47	7.29	-44.80
CCC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019906235	1	45	-1.0	-52.08	353.53	7.32	-44.76
CC(C)=CCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1O	REAL300019906236	0	44	-1.0	-43.18	349.38	3.69	-39.49
CC(C)=CCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1O	REAL300019906236	1	44	-1.0	-43.18	349.45	3.68	-39.50
O=C(C1=COC2=C1NC(=O)CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906237	0	38	-1.0	-60.33	309.49	1.32	-59.01
O=C(C1=COC2=C1NC(=O)CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906237	1	38	-1.0	-60.30	309.55	1.33	-58.97
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300019906238	0	36	-1.0	-56.73	313.43	5.45	-51.28
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300019906238	1	36	-1.0	-56.73	313.49	5.47	-51.26
CC1=CC=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=CC=C12	REAL300019906239	0	38	-1.0	-56.40	307.60	5.52	-50.88
CC1=CC=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=CC=C12	REAL300019906239	1	38	-1.0	-56.42	307.54	5.50	-50.92
O=C(C1=CC2=CC=CC=C2N=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906240	0	35	-1.0	-55.34	306.79	4.38	-50.96
O=C(C1=CC2=CC=CC=C2N=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906240	1	35	-1.0	-55.29	306.74	4.35	-50.94
O=C(C1=CC2=CC=C(F)C=C2N=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906241	0	35	-1.0	-53.50	313.18	4.45	-49.05
O=C(C1=CC2=CC=C(F)C=C2N=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906241	1	35	-1.0	-53.44	313.13	4.42	-49.02
O=C(C1=CC2=CC=C(F)C=C2NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906242	0	36	-1.0	-58.39	316.78	2.96	-55.43
O=C(C1=CC2=CC=C(F)C=C2NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906242	1	36	-1.0	-58.37	316.84	2.98	-55.39
O=C(CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906243	0	49	-1.0	-58.04	406.83	9.11	-48.93
O=C(CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906243	1	49	-1.0	-58.02	406.89	9.14	-48.88
O=C(C1=CN=CC2=CC=C(F)C=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906244	0	35	-1.0	-47.90	288.37	3.55	-44.35
O=C(C1=CN=CC2=CC=C(F)C=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906244	1	35	-1.0	-47.90	288.31	3.55	-44.35
COC1=C(Br)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906245	0	34	-1.0	-53.06	299.95	4.50	-48.56
COC1=C(Br)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906245	1	34	-1.0	-53.08	300.00	4.53	-48.55
N#CC1=CNC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C12	REAL300019906246	0	35	-1.0	-51.85	303.43	4.15	-47.70
N#CC1=CNC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C12	REAL300019906246	1	35	-1.0	-51.83	303.37	4.13	-47.70
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906247	0	49	-1.0	-56.54	398.44	5.46	-51.08
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906247	1	49	-1.0	-56.54	398.49	5.48	-51.06
CC(C)(C)OC(=O)N1CC(C2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=CO2)C1	REAL300019906248	0	50	-1.0	-57.81	403.50	2.59	-55.22
CC(C)(C)OC(=O)N1CC(C2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=CO2)C1	REAL300019906248	1	50	-1.0	-57.73	403.44	2.56	-55.17
NC1=C2C=CN(CC(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=CC=C1	REAL300019906249	0	39	-1.0	-59.34	327.27	4.00	-55.34
NC1=C2C=CN(CC(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=CC=C1	REAL300019906249	1	39	-1.0	-59.38	327.32	4.03	-55.35
CC(C)(C)OC(=O)C1=NNC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906250	0	42	-1.0	-51.39	343.40	3.07	-48.32
CC(C)(C)OC(=O)C1=NNC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906250	1	42	-1.0	-51.34	343.46	3.09	-48.25
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C1(CC2=NNN=C2)CCC1	REAL300019906251	0	39	-1.0	-56.92	309.69	1.90	-55.02
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C1(CC2=NNN=C2)CCC1	REAL300019906251	1	39	-1.0	-56.93	309.75	1.90	-55.03
O=C(C1=C(Br)NN=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906252	0	27	-1.0	-49.00	282.11	1.32	-47.68
O=C(C1=C(Br)NN=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906252	1	27	-1.0	-48.98	282.06	1.30	-47.68
CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906253	0	38	-1.0	-57.36	314.57	3.85	-53.51
CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906253	1	38	-1.0	-57.31	314.63	3.86	-53.45
O=C(C1=CC2=C(S1)C(Br)=CS2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906254	0	30	-1.0	-50.18	300.80	4.72	-45.46
O=C(C1=CC2=C(S1)C(Br)=CS2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906254	1	30	-1.0	-50.16	300.87	4.72	-45.44
CC(C)OC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL300019906255	0	40	-1.0	-42.39	326.95	4.51	-37.88
CC(C)OC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL300019906255	1	40	-1.0	-42.39	327.02	4.50	-37.89
O=C(CC1=CN=CC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906256	0	32	-1.0	-52.47	295.49	3.51	-48.96
O=C(CC1=CN=CC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906256	1	32	-1.0	-52.42	295.43	3.49	-48.93
O=C(C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906257	0	44	-1.0	-55.01	360.37	7.11	-47.90
O=C(C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906257	1	44	-1.0	-54.97	360.43	7.13	-47.84
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906258	0	50	-1.0	-53.96	386.89	3.37	-50.59
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906258	1	50	-1.0	-53.95	386.95	3.38	-50.57
O=C(C1=CC=C(C2=CNN=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906259	0	37	-1.0	-43.67	302.16	3.04	-40.63
O=C(C1=CC=C(C2=CNN=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906259	1	37	-1.0	-43.70	302.09	3.04	-40.66
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906260	0	45	-1.0	-51.15	355.59	3.54	-47.61
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906260	1	45	-1.0	-51.10	355.64	3.55	-47.55
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906261	0	59	-1.0	-48.18	426.74	4.83	-43.35
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906261	1	59	-1.0	-48.16	426.80	4.85	-43.31
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906262	0	49	-1.0	-55.63	392.78	4.26	-51.37
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906262	1	49	-1.0	-55.60	392.72	4.24	-51.36
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906263	0	48	-1.0	-54.21	368.26	4.39	-49.82
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906263	1	48	-1.0	-54.19	368.32	4.41	-49.78
C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906264	0	47	-1.0	-48.30	367.52	2.48	-45.82
C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906264	1	47	-1.0	-48.30	367.57	2.51	-45.79
CC1=CC(F)=CC=C1C(O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906265	0	37	-1.0	-47.55	300.86	2.74	-44.81
CC1=CC(F)=CC=C1C(O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906265	1	37	-1.0	-47.56	300.91	2.76	-44.80
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906266	0	47	-1.0	-45.75	361.38	-0.00	-45.75
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906266	1	47	-1.0	-45.74	361.45	0.00	-45.74
CC(=O)C1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C2N1	REAL300019906267	0	39	-1.0	-68.14	333.28	4.38	-63.76
CC(=O)C1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C2N1	REAL300019906267	1	39	-1.0	-68.16	333.23	4.35	-63.81
CC(C)(C)OC(=O)N1CC2=CNN=C2C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906268	0	51	-1.0	-66.48	400.17	3.28	-63.20
CC(C)(C)OC(=O)N1CC2=CNN=C2C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906268	1	51	-1.0	-66.47	400.23	3.29	-63.18
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906269	0	54	-1.0	-55.14	406.84	4.24	-50.90
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906269	1	54	-1.0	-55.10	406.89	4.26	-50.84
CC(C)(C)OC(=O)NC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC1CCCC1	REAL300019906270	0	59	-1.0	-60.85	446.97	5.98	-54.87
CC(C)(C)OC(=O)NC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC1CCCC1	REAL300019906270	1	59	-1.0	-60.84	447.03	6.00	-54.84
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906271	0	59	-1.0	-50.43	439.71	3.84	-46.59
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906271	1	59	-1.0	-50.43	439.77	3.85	-46.58
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Br)=C1C(F)(F)F	REAL300019906272	0	33	-1.0	-51.33	309.34	3.31	-48.02
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Br)=C1C(F)(F)F	REAL300019906272	1	33	-1.0	-51.34	309.28	3.28	-48.06
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1Br	REAL300019906273	0	33	-1.0	-39.65	287.67	4.27	-35.38
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1Br	REAL300019906273	1	33	-1.0	-39.64	287.75	4.26	-35.38
O=C(C1=C2C=COC2=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906274	0	33	-1.0	-59.98	292.75	4.25	-55.73
O=C(C1=C2C=COC2=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906274	1	33	-1.0	-59.97	292.70	4.23	-55.74
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906275	0	50	-1.0	-51.57	379.00	4.57	-47.00
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906275	1	50	-1.0	-51.57	379.06	4.60	-46.97
O=C(C1=CC=C2N=CC(=O)NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906276	0	35	-1.0	-52.04	297.33	0.75	-51.29
O=C(C1=CC=C2N=CC(=O)NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906276	1	35	-1.0	-51.99	297.39	0.78	-51.21
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019906277	0	39	-1.0	-51.33	334.05	2.66	-48.67
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019906277	1	39	-1.0	-51.34	333.99	2.63	-48.71
COCC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCOCC1	REAL300019906278	0	44	-1.0	-49.03	330.30	1.97	-47.06
COCC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCOCC1	REAL300019906278	1	44	-1.0	-49.03	330.36	2.00	-47.03
O=C([C@@H]1CC2=CN=CN2C(=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906279	0	35	-1.0	-62.90	293.99	1.98	-60.92
O=C([C@@H]1CC2=CN=CN2C(=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906279	1	35	-1.0	-62.89	293.93	1.97	-60.92
O=C(C1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906280	0	40	-1.0	-54.01	337.81	4.00	-50.01
O=C(C1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906280	1	40	-1.0	-54.08	337.76	3.99	-50.09
CC1=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=NN2C(C(F)F)=C1	REAL300019906281	0	38	-1.0	-69.43	332.11	3.91	-65.52
CC1=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=NN2C(C(F)F)=C1	REAL300019906281	1	38	-1.0	-69.41	332.17	3.93	-65.48
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906282	0	33	-1.0	-50.40	292.39	2.71	-47.69
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906282	1	33	-1.0	-50.42	292.45	2.73	-47.69
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906283	0	38	-1.0	-43.73	315.29	4.29	-39.44
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906283	1	38	-1.0	-43.70	315.22	4.28	-39.42
CC(C)C1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C2CCCCN21	REAL300019906284	0	46	-1.0	-58.44	348.86	6.08	-52.36
CC(C)C1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C2CCCCN21	REAL300019906284	1	46	-1.0	-58.46	348.91	6.11	-52.35
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906285	0	42	-1.0	-50.34	331.70	4.95	-45.39
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906285	1	42	-1.0	-50.34	331.77	4.97	-45.37
CC(C)[C@@H]1C[C@H](CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300019906286	0	49	-1.0	-52.62	374.60	8.03	-44.59
CC(C)[C@@H]1C[C@H](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300019906286	1	49	-1.0	-52.64	374.66	8.06	-44.58
COC1=CC=CC2=C1CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)CO2	REAL300019906287	0	42	-1.0	-54.26	333.39	3.57	-50.69
COC1=CC=CC2=C1CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)CO2	REAL300019906287	1	42	-1.0	-54.26	333.44	3.60	-50.66
O=C(C1=CC2=C(Br)C=CC(Cl)=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906288	0	34	-1.0	-50.67	321.26	5.17	-45.50
O=C(C1=CC2=C(Br)C=CC(Cl)=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906288	1	34	-1.0	-50.68	321.32	5.19	-45.49
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NC2=CC=C1F	REAL300019906289	0	37	-1.0	-51.24	310.07	4.75	-46.49
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NC2=CC=C1F	REAL300019906289	1	37	-1.0	-51.23	310.13	4.76	-46.47
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NC2=CC=C1Cl	REAL300019906290	0	37	-1.0	-50.80	318.77	5.15	-45.65
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NC2=CC=C1Cl	REAL300019906290	1	37	-1.0	-50.82	318.83	5.16	-45.66
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(COC2=CC=CC=C2)=N1	REAL300019906291	0	43	-1.0	-54.00	365.31	4.57	-49.43
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(COC2=CC=CC=C2)=N1	REAL300019906291	1	43	-1.0	-54.04	365.37	4.60	-49.44
O=C(C1=NN2CCNC(=O)C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906292	0	35	-1.0	-63.07	296.44	-0.43	-63.50
O=C(C1=NN2CCNC(=O)C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906292	1	35	-1.0	-63.11	296.38	-0.46	-63.57
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906293	0	37	-1.0	-53.72	306.68	2.68	-51.04
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906293	1	37	-1.0	-53.74	306.73	2.69	-51.05
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906294	0	41	-1.0	-46.70	347.10	4.88	-41.82
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906294	1	41	-1.0	-46.69	347.16	4.91	-41.78
CC1=CC=C(N2N=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CCC2=O)C=C1	REAL300019906295	0	44	-1.0	-48.50	362.09	5.50	-43.00
CC1=CC=C(N2N=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CCC2=O)C=C1	REAL300019906295	1	44	-1.0	-48.51	362.15	5.52	-42.99
O=C(C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906296	0	39	-1.0	-49.62	339.40	5.88	-43.74
O=C(C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906296	1	39	-1.0	-49.62	339.34	5.86	-43.76
O=C(C1CCC2C(CC1)C2(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906297	0	40	-1.0	-59.95	303.69	5.00	-54.95
O=C(C1CCC2C(CC1)C2(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906297	1	40	-1.0	-59.96	303.75	5.03	-54.93
COCCOCCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019906298	0	44	-1.0	-56.76	367.80	2.15	-54.61
COCCOCCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019906298	1	44	-1.0	-56.76	367.74	2.13	-54.63
COCCOCCN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906299	0	44	-1.0	-56.12	360.35	1.55	-54.57
COCCOCCN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906299	1	44	-1.0	-56.13	360.29	1.54	-54.59
O=C(C1=CC=C(CCC2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906300	0	46	-1.0	-54.71	374.99	8.79	-45.92
O=C(C1=CC=C(CCC2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906300	1	46	-1.0	-54.72	375.05	8.82	-45.90
O=C(C1=NN(CCC(F)(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906301	0	36	-1.0	-55.71	318.28	3.99	-51.72
O=C(C1=NN(CCC(F)(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906301	1	36	-1.0	-55.75	318.23	3.97	-51.78
O=C(C1=CC=C(C(F)C(F)(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906302	0	36	-1.0	-52.86	314.86	5.33	-47.53
O=C(C1=CC=C(C(F)C(F)(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906302	1	36	-1.0	-52.88	314.92	5.35	-47.53
O=C(C1=CC=C(C2=CSC=C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906303	0	36	-1.0	-54.53	313.13	4.34	-50.19
O=C(C1=CC=C(C2=CSC=C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906303	1	36	-1.0	-54.53	313.07	4.32	-50.21
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906304	0	44	-1.0	-58.57	344.03	6.06	-52.51
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906304	1	44	-1.0	-58.59	344.08	6.07	-52.52
O=C(C(CC1CCCCC1)C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906305	0	52	-1.0	-51.98	391.35	8.66	-43.32
O=C(C(CC1CCCCC1)C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906305	1	52	-1.0	-51.98	391.41	8.69	-43.29
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL300019906306	0	42	-1.0	-55.58	337.40	6.42	-49.16
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL300019906306	1	42	-1.0	-55.60	337.45	6.45	-49.15
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906307	0	43	-1.0	-41.33	336.33	6.59	-34.74
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906307	1	43	-1.0	-41.35	336.39	6.58	-34.77
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906308	0	34	-1.0	-52.15	302.95	3.42	-48.73
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906308	1	34	-1.0	-52.09	303.00	3.45	-48.64
CN(C)C1=NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2O1	REAL300019906309	0	40	-1.0	-53.74	329.81	2.22	-51.52
CN(C)C1=NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2O1	REAL300019906309	1	40	-1.0	-53.72	329.75	2.19	-51.53
CS(=N)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906310	0	37	-1.0	-65.69	315.81	0.22	-65.47
CS(=N)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906310	1	37	-1.0	-65.71	315.87	0.24	-65.47
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CC=C(F)C=C1F	REAL300019906311	0	33	-1.0	-46.78	296.59	4.68	-42.10
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300019906311	1	33	-1.0	-46.82	296.65	4.70	-42.12
O=C(C(O)C1=CC=C(Cl)C(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906312	0	34	-1.0	-51.99	318.18	3.45	-48.54
O=C(C(O)C1=CC=C(Cl)C(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906312	1	34	-1.0	-52.02	318.23	3.47	-48.55
CC1=C(Br)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL300019906313	0	33	-1.0	-57.07	295.16	3.05	-54.02
CC1=C(Br)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL300019906313	1	33	-1.0	-57.07	295.22	3.08	-53.99
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906314	0	33	-1.0	-54.28	298.22	4.60	-49.68
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906314	1	33	-1.0	-54.28	298.28	4.62	-49.66
CC(=O)NCC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCCC1	REAL300019906315	0	49	-1.0	-62.65	362.65	3.76	-58.89
CC(=O)NCC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCCC1	REAL300019906315	1	49	-1.0	-62.70	362.71	3.78	-58.92
CC1(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC(C)(C)O1	REAL300019906316	0	46	-1.0	-52.91	342.21	4.20	-48.71
CC1(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC(C)(C)O1	REAL300019906316	1	46	-1.0	-52.94	342.27	4.22	-48.72
O=C(C1=CC=NC(Br)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906317	0	29	-1.0	-53.54	272.98	2.37	-51.17
O=C(C1=CC=NC(Br)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906317	1	29	-1.0	-53.59	272.92	2.36	-51.23
CC1=C(I)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C	REAL300019906318	0	33	-1.0	-55.46	300.66	3.51	-51.95
CC1=C(I)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C	REAL300019906318	1	33	-1.0	-55.45	300.72	3.54	-51.91
O=C(C1=C2C=C(Br)C=CC2=NS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906319	0	32	-1.0	-52.96	302.55	4.20	-48.76
O=C(C1=C2C=C(Br)C=CC2=NS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906319	1	32	-1.0	-52.96	302.49	4.19	-48.77
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906320	0	36	-1.0	-50.28	311.68	2.07	-48.21
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906320	1	36	-1.0	-50.30	311.74	2.09	-48.21
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906321	0	37	-1.0	-54.67	335.38	5.05	-49.62
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906321	1	37	-1.0	-54.68	335.44	5.08	-49.60
CS(C)(=O)=NC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL300019906322	0	36	-1.0	-73.74	321.96	0.75	-72.99
CS(C)(=O)=NC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL300019906322	1	36	-1.0	-73.70	322.02	0.77	-72.93
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906323	0	45	-1.0	-54.45	379.67	5.19	-49.26
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906323	1	45	-1.0	-54.46	379.72	5.21	-49.25
O=C(CC1=CC(O)=CC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906324	0	34	-1.0	-54.14	311.58	2.43	-51.71
O=C(CC1=CC(O)=CC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906324	1	34	-1.0	-54.18	311.64	2.45	-51.73
O=C(CCCCC1=CC=CC(O)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906325	0	43	-1.0	-53.47	354.65	4.19	-49.28
O=C(CCCCC1=CC=CC(O)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906325	1	43	-1.0	-53.46	354.71	4.21	-49.25
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906326	0	51	-1.0	-57.33	404.54	4.53	-52.80
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906326	1	51	-1.0	-57.35	404.60	4.56	-52.79
O=C(C=CCCCCCCCO)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906327	0	46	-1.0	-54.73	371.89	3.59	-51.14
O=C(C=CCCCCCCCO)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906327	1	46	-1.0	-54.75	371.95	3.62	-51.13
COC(=O)[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(F)F	REAL300019906328	0	33	-1.0	-48.17	297.78	3.29	-44.88
COC(=O)[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(F)F	REAL300019906328	1	33	-1.0	-48.18	297.84	3.32	-44.86
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906329	0	48	-1.0	-68.27	386.14	2.79	-65.48
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906329	1	48	-1.0	-68.31	386.20	2.81	-65.50
O=C(C1=CN2N=C(Br)N=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906330	0	32	-1.0	-37.42	287.78	3.23	-34.19
O=C(C1=CN2N=C(Br)N=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906330	1	32	-1.0	-37.40	287.71	3.23	-34.17
COC1(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)COC1	REAL300019906331	0	42	-1.0	-52.95	331.21	2.87	-50.08
COC1(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)COC1	REAL300019906331	1	42	-1.0	-52.94	331.27	2.89	-50.05
O=C(C1=NN(C2=CC=CC=C2)C=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906332	0	37	-1.0	-55.09	332.25	5.99	-49.10
O=C(C1=NN(C2=CC=CC=C2)C=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906332	1	37	-1.0	-55.09	332.20	5.96	-49.13
O=C(CN1CC(C(F)(F)F)CCC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906333	0	40	-1.0	-60.06	337.31	3.82	-56.24
O=C(CN1CC(C(F)(F)F)CCC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906333	1	40	-1.0	-60.05	337.37	3.84	-56.21
O=C(C1=CC2=C(C=C(Br)S2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906334	0	30	-1.0	-49.34	300.99	4.80	-44.54
O=C(C1=CC2=C(C=C(Br)S2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906334	1	30	-1.0	-49.37	301.05	4.82	-44.55
CCC1=NC=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019906335	0	34	-1.0	-49.33	299.63	3.59	-45.74
CCC1=NC=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019906335	1	34	-1.0	-49.29	299.69	3.62	-45.67
O=C(C=CC1=CC(Cl)=CC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906336	0	34	-1.0	-52.85	323.29	6.20	-46.65
O=C(C=CC1=CC(Cl)=CC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906336	1	34	-1.0	-52.83	323.35	6.21	-46.62
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N2)S1	REAL300019906337	0	34	-1.0	-53.55	295.55	3.94	-49.61
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N2)S1	REAL300019906337	1	34	-1.0	-53.57	295.49	3.92	-49.65
O=C(C1=CC2=C(SC(Br)=C2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906338	0	30	-1.0	-49.47	300.54	4.68	-44.79
O=C(C1=CC2=C(SC(Br)=C2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906338	1	30	-1.0	-49.46	300.59	4.71	-44.75
O=C(C1=CC=C(NS(=O)(=O)C2CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906339	0	42	-1.0	-43.59	345.47	1.03	-42.56
O=C(C1=CC=C(NS(=O)(=O)C2CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906339	1	42	-1.0	-43.60	345.54	1.03	-42.57
O=C(C1=CC=CC(NS(=O)(=O)C2CC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906340	0	42	-1.0	-54.49	355.03	2.05	-52.44
O=C(C1=CC=CC(NS(=O)(=O)C2CC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906340	1	42	-1.0	-54.48	355.08	2.07	-52.41
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906341	0	44	-1.0	-42.89	351.47	1.06	-41.83
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906341	1	44	-1.0	-42.92	351.53	1.09	-41.83
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)=C2	REAL300019906342	0	46	-1.0	-62.84	361.94	4.08	-58.76
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)=C2	REAL300019906342	1	46	-1.0	-62.85	361.99	4.09	-58.76
CC1=CC(F)=C(Br)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906343	0	33	-1.0	-48.08	298.78	4.91	-43.17
CC1=CC(F)=C(Br)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906343	1	33	-1.0	-48.09	298.83	4.92	-43.17
CC1=CC(F)=CC=C1C(NCC(F)(F)F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906344	0	44	-1.0	-48.95	364.33	3.85	-45.10
CC1=CC(F)=CC=C1C(NCC(F)(F)F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906344	1	44	-1.0	-48.92	364.38	3.86	-45.06
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)[C@H](C2CC2)C1	REAL300019906345	0	54	-1.0	-55.67	412.31	5.81	-49.86
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)[C@H](C2CC2)C1	REAL300019906345	1	54	-1.0	-55.78	412.37	5.84	-49.94
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906346	0	54	-1.0	-58.02	410.19	4.66	-53.36
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906346	1	54	-1.0	-58.04	410.25	4.69	-53.35
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906347	0	51	-1.0	-52.00	391.11	8.06	-43.94
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906347	1	51	-1.0	-52.05	391.17	8.08	-43.97
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C1=CC=C(Cl)C=C1	REAL300019906348	0	40	-1.0	-55.76	347.04	5.71	-50.05
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C1=CC=C(Cl)C=C1	REAL300019906348	1	40	-1.0	-55.76	346.98	5.68	-50.08
O=C(C1=CC=C2SCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906349	0	38	-1.0	-43.65	307.62	5.25	-38.40
O=C(C1=CC=C2SCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906349	1	38	-1.0	-43.67	307.69	5.25	-38.42
O=C(C1=CC=C2SCCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906350	0	41	-1.0	-40.98	323.96	5.83	-35.15
O=C(C1=CC=C2SCCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906350	1	41	-1.0	-41.01	324.03	5.82	-35.19
COC(=O)CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906351	0	42	-1.0	-43.36	342.69	5.27	-38.09
COC(=O)CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906351	1	42	-1.0	-43.36	342.75	5.27	-38.09
CC(C)=CCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1F	REAL300019906352	0	43	-1.0	-39.33	345.39	6.52	-32.81
CC(C)=CCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1F	REAL300019906352	1	43	-1.0	-39.33	345.44	6.54	-32.79
O=C(CC1=C(Br)N2C=CC=CC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906353	0	36	-1.0	-62.22	326.77	5.57	-56.65
O=C(CC1=C(Br)N2C=CC=CC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906353	1	36	-1.0	-62.25	326.82	5.60	-56.65
O=C(C1=CC2=C(C=C(Cl)S2)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906354	0	31	-1.0	-50.05	290.67	3.74	-46.31
O=C(C1=CC2=C(C=C(Cl)S2)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906354	1	31	-1.0	-50.10	290.73	3.75	-46.35
O=C(C1=CC=NC(C2=CC=CN=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906355	0	37	-1.0	-51.87	315.16	3.86	-48.01
O=C(C1=CC=NC(C2=CC=CN=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906355	1	37	-1.0	-51.85	315.11	3.84	-48.01
O=C(CC1=CC2=CC=CC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906356	0	38	-1.0	-58.44	320.50	5.05	-53.39
O=C(CC1=CC2=CC=CC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906356	1	38	-1.0	-58.43	320.44	5.02	-53.41
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N2CC(F)(F)F)S1	REAL300019906357	0	40	-1.0	-50.79	352.22	6.37	-44.42
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N2CC(F)(F)F)S1	REAL300019906357	1	40	-1.0	-50.82	352.28	6.38	-44.44
COC1(C(F)(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCOCC1	REAL300019906358	0	41	-1.0	-47.73	318.25	2.51	-45.22
COC1(C(F)(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCOCC1	REAL300019906358	1	41	-1.0	-47.76	318.31	2.53	-45.23
CC(C)(C)C1=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=N1	REAL300019906359	0	40	-1.0	-59.71	333.34	2.30	-57.41
CC(C)(C)C1=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=N1	REAL300019906359	1	40	-1.0	-59.71	333.28	2.27	-57.44
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906360	0	41	-1.0	-51.41	342.75	6.70	-44.71
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906360	1	41	-1.0	-51.42	342.81	6.72	-44.70
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906361	0	40	-1.0	-43.41	336.03	6.98	-36.43
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906361	1	40	-1.0	-43.40	336.09	6.97	-36.43
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906362	0	34	-1.0	-54.99	297.17	3.57	-51.42
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906362	1	34	-1.0	-54.93	297.12	3.55	-51.38
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906363	0	54	-1.0	-56.47	416.07	7.97	-48.50
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906363	1	54	-1.0	-56.47	416.13	7.98	-48.49
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906364	0	31	-1.0	-50.02	295.30	3.85	-46.17
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906364	1	31	-1.0	-50.02	295.36	3.86	-46.16
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906365	0	44	-1.0	-54.57	349.29	7.42	-47.15
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906365	1	44	-1.0	-54.61	349.35	7.45	-47.16
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Br	REAL300019906366	0	36	-1.0	-39.47	310.18	5.11	-34.36
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Br	REAL300019906366	1	36	-1.0	-39.46	310.25	5.12	-34.34
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906367	0	57	-1.0	-56.54	433.49	6.65	-49.89
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906367	1	57	-1.0	-56.50	433.55	6.65	-49.85
CCCC1=C(Br)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019906368	0	36	-1.0	-51.28	326.37	5.51	-45.77
CCCC1=C(Br)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019906368	1	36	-1.0	-51.29	326.44	5.53	-45.76
CSC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Br	REAL300019906369	0	34	-1.0	-50.60	310.06	5.09	-45.51
CSC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Br	REAL300019906369	1	34	-1.0	-50.62	310.12	5.12	-45.50
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906370	0	31	-1.0	-50.41	295.09	3.73	-46.68
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906370	1	31	-1.0	-50.41	295.14	3.74	-46.67
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906371	0	40	-1.0	-45.91	327.45	4.07	-41.84
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906371	1	40	-1.0	-45.95	327.47	4.06	-41.89
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906372	0	33	-1.0	-58.59	288.04	4.14	-54.45
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906372	1	33	-1.0	-58.57	288.10	4.15	-54.42
CCN1C=C(OC2=CN=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=N2)C=N1	REAL300019906373	0	42	-1.0	-55.35	353.59	2.46	-52.89
CCN1C=C(OC2=CN=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=N2)C=N1	REAL300019906373	1	42	-1.0	-55.35	353.54	2.44	-52.91
N#CC1=C2N=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN2N=C1	REAL300019906374	0	33	-1.0	-49.41	302.80	3.25	-46.16
N#CC1=C2N=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN2N=C1	REAL300019906374	1	33	-1.0	-49.42	302.74	3.23	-46.19
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906375	0	40	-1.0	-56.00	336.16	4.62	-51.38
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906375	1	40	-1.0	-56.00	336.10	4.60	-51.40
CN1N=CC2=C1SC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)=C2	REAL300019906376	0	33	-1.0	-52.92	291.82	2.71	-50.21
CN1N=CC2=C1SC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)=C2	REAL300019906376	1	33	-1.0	-52.90	291.76	2.69	-50.21
COC1=CC=CC=C1N1C=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906377	0	41	-1.0	-56.97	344.27	6.24	-50.73
COC1=CC=CC=C1N1C=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906377	1	41	-1.0	-56.98	344.21	6.21	-50.77
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906378	0	42	-1.0	-42.57	330.66	1.69	-40.88
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906378	1	42	-1.0	-42.54	330.72	1.71	-40.83
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(Br)=C1C	REAL300019906379	0	36	-1.0	-51.52	307.82	5.27	-46.25
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(Br)=C1C	REAL300019906379	1	36	-1.0	-51.53	307.88	5.30	-46.23
CC(C)CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300019906380	0	49	-1.0	-56.90	392.26	7.66	-49.24
CC(C)CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300019906380	1	49	-1.0	-56.91	392.32	7.69	-49.22
CC1CCN(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)CC1	REAL300019906381	0	48	-1.0	-53.55	364.33	5.41	-48.14
CC1CCN(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)CC1	REAL300019906381	1	48	-1.0	-53.57	364.39	5.43	-48.14
C[NH+](C)C1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019906382	0	59	0.0	-65.28	432.51	5.56	-59.72
C[NH+](C)C1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019906382	1	59	0.0	-65.35	432.57	5.58	-59.77
CC1=CC(=O)N2N=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2N1	REAL300019906383	0	36	-1.0	-55.86	306.85	1.96	-53.90
CC1=CC(=O)N2N=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2N1	REAL300019906383	1	36	-1.0	-55.90	306.91	1.98	-53.92
CS(=N)(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906384	0	37	-1.0	-64.28	316.82	0.37	-63.91
CS(=N)(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906384	1	37	-1.0	-64.28	316.87	0.39	-63.89
COC1=CC=C(C(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL300019906385	0	40	-1.0	-62.07	326.55	4.26	-57.81
COC1=CC=C(C(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL300019906385	1	40	-1.0	-62.09	326.60	4.29	-57.80
COC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC(F)(F)C1	REAL300019906386	0	37	-1.0	-55.10	301.57	3.34	-51.76
COC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC(F)(F)C1	REAL300019906386	1	37	-1.0	-55.08	301.62	3.35	-51.73
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906387	0	40	-1.0	-39.20	340.47	3.79	-35.41
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906387	1	40	-1.0	-39.23	340.53	3.79	-35.44
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906388	0	36	-1.0	-49.82	318.19	3.27	-46.55
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906388	1	36	-1.0	-49.79	318.13	3.24	-46.55
O=C(COCC1=NC(C2CC2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906389	0	39	-1.0	-62.73	336.67	2.20	-60.53
O=C(COCC1=NC(C2CC2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906389	1	39	-1.0	-62.72	336.73	2.22	-60.50
CN1CCC2=CC(CC(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL300019906390	0	42	-1.0	-55.46	338.24	4.46	-51.00
CN1CCC2=CC(CC(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL300019906390	1	42	-1.0	-55.42	338.29	4.49	-50.93
O=C(CN1C=NC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906391	0	30	-1.0	-56.47	281.88	4.23	-52.24
O=C(CN1C=NC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906391	1	30	-1.0	-56.43	281.82	4.20	-52.23
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906392	0	41	-1.0	-58.99	349.26	1.07	-57.92
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906392	1	41	-1.0	-58.97	349.32	1.08	-57.89
O=C(C1=CC2=C(Br)C=CC=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906393	0	33	-1.0	-54.59	309.18	5.55	-49.04
O=C(C1=CC2=C(Br)C=CC=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906393	1	33	-1.0	-54.59	309.24	5.56	-49.03
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCCC1	REAL300019906394	0	59	-1.0	-57.35	436.34	6.00	-51.35
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCCC1	REAL300019906394	1	59	-1.0	-57.33	436.40	6.03	-51.30
CC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019906395	0	53	-1.0	-50.98	399.60	5.65	-45.33
CC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019906395	1	53	-1.0	-50.95	399.66	5.66	-45.29
O=C([C@@H]1C[C@H]1C1=CC=C(Br)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906396	0	36	-1.0	-50.95	322.67	4.70	-46.25
O=C([C@@H]1C[C@H]1C1=CC=C(Br)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906396	1	36	-1.0	-50.97	322.62	4.68	-46.29
O=C(C1=CN(CCN2CCOCC2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906397	0	45	-1.0	-51.21	362.51	-0.15	-51.36
O=C(C1=CN(CCN2CCOCC2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906397	1	45	-1.0	-51.23	362.57	-0.13	-51.36
O=C(C1=CC=C(C(F)(F)F)N=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906398	0	32	-1.0	-53.80	292.45	2.85	-50.95
O=C(C1=CC=C(C(F)(F)F)N=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906398	1	32	-1.0	-53.78	292.39	2.84	-50.94
O=C(C1=NNC2=C1C(=O)NC=N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906399	0	32	-1.0	-68.26	278.37	1.91	-66.35
O=C(C1=NNC2=C1C(=O)NC=N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906399	1	32	-1.0	-68.28	278.32	1.88	-66.40
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906400	0	56	-1.0	-52.60	420.31	5.25	-47.35
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906400	1	56	-1.0	-52.63	420.36	5.28	-47.35
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906401	0	54	-1.0	-56.08	417.46	6.15	-49.93
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906401	1	54	-1.0	-56.12	417.53	6.16	-49.96
CC(C)(C)OC(=O)N1CCN2C=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2C1	REAL300019906402	0	52	-1.0	-68.08	401.36	5.56	-62.52
CC(C)(C)OC(=O)N1CCN2C=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2C1	REAL300019906402	1	52	-1.0	-68.10	401.42	5.57	-62.53
O=C(C1=COC2=C1C(O)CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906403	0	38	-1.0	-58.88	304.92	2.44	-56.44
O=C(C1=COC2=C1C(O)CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906403	1	38	-1.0	-58.89	304.98	2.46	-56.43
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906404	0	48	-1.0	-50.37	383.52	4.40	-45.97
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906404	1	48	-1.0	-50.40	383.59	4.42	-45.98
O=C(C1=CC(C2=CC=CN=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906405	0	35	-1.0	-48.66	305.50	3.11	-45.55
O=C(C1=CC(C2=CC=CN=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906405	1	35	-1.0	-48.66	305.44	3.07	-45.59
O=C(C(O)C1=CC(F)=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906406	0	34	-1.0	-51.44	291.25	2.41	-49.03
O=C(C(O)C1=CC(F)=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906406	1	34	-1.0	-51.44	291.31	2.44	-49.00
N#CC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL300019906407	0	34	-1.0	-56.37	305.52	5.08	-51.29
N#CC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL300019906407	1	34	-1.0	-56.42	305.58	5.10	-51.32
O=C(C1=CC=C(Br)N=C1C(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906408	0	32	-1.0	-50.93	303.08	3.41	-47.52
O=C(C1=CC=C(Br)N=C1C(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906408	1	32	-1.0	-50.89	303.03	3.39	-47.50
O=C(CC(C1=CC=CC=C1)C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906409	0	39	-1.0	-49.00	322.96	6.05	-42.95
O=C(CC(C1=CC=CC=C1)C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906409	1	39	-1.0	-48.98	323.02	6.07	-42.91
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL300019906410	0	35	-1.0	-53.13	310.02	5.15	-47.98
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300019906410	1	35	-1.0	-53.13	310.08	5.17	-47.96
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C2C(=O)CCCC2=N1	REAL300019906411	0	41	-1.0	-59.79	333.68	5.55	-54.24
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C2C(=O)CCCC2=N1	REAL300019906411	1	41	-1.0	-59.80	333.74	5.58	-54.22
NC1=NC(C(F)(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL300019906412	0	31	-1.0	-52.69	285.94	1.22	-51.47
NC1=NC(C(F)(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL300019906412	1	31	-1.0	-52.71	285.89	1.20	-51.51
O=C(NC(CC1=CC=CN=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019906413	0	49	-1.0	-52.30	397.77	4.77	-47.53
O=C(NC(CC1=CC=CN=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019906413	1	49	-1.0	-52.32	397.83	4.79	-47.53
CCOCC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL300019906414	0	36	-1.0	-53.06	316.12	2.16	-50.90
CCOCC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL300019906414	1	36	-1.0	-53.06	316.18	2.18	-50.88
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=NN1C1CCOC1	REAL300019906415	0	40	-1.0	-50.21	324.75	1.28	-48.93
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=NN1C1CCOC1	REAL300019906415	1	40	-1.0	-50.23	324.81	1.29	-48.94
O=C(C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906416	0	46	-1.0	-52.53	370.31	7.00	-45.53
O=C(C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906416	1	46	-1.0	-52.57	370.36	7.03	-45.54
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906417	0	47	-1.0	-53.38	382.69	8.39	-44.99
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906417	1	47	-1.0	-53.38	382.75	8.42	-44.96
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL300019906418	0	35	-1.0	-57.98	296.36	4.06	-53.92
CC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL300019906418	1	35	-1.0	-57.97	296.42	4.08	-53.89
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906419	0	53	-1.0	-59.49	418.76	4.29	-55.20
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906419	1	53	-1.0	-59.44	418.82	4.32	-55.12
O=C(C1=CC2=C(Br)C=C(Cl)C=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906420	0	34	-1.0	-49.69	321.75	5.18	-44.51
O=C(C1=CC2=C(Br)C=C(Cl)C=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906420	1	34	-1.0	-49.63	321.81	5.20	-44.43
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL300019906421	0	37	-1.0	-49.63	321.55	5.22	-44.41
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL300019906421	1	37	-1.0	-49.58	321.61	5.25	-44.33
N#CCCCOC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906422	0	44	-1.0	-60.26	372.96	6.21	-54.05
N#CCCCOC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906422	1	44	-1.0	-60.23	373.01	6.24	-53.99
CN1C=CC(C(=O)NC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)=N1	REAL300019906423	0	44	-1.0	-70.75	368.77	3.43	-67.32
CN1C=CC(C(=O)NC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)=N1	REAL300019906423	1	44	-1.0	-70.75	368.71	3.40	-67.35
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300019906424	0	53	-1.0	-60.27	387.53	5.82	-54.45
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300019906424	1	53	-1.0	-60.23	387.58	5.85	-54.38
CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCSC1	REAL300019906425	0	51	-1.0	-46.17	397.38	4.40	-41.77
CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCSC1	REAL300019906425	1	51	-1.0	-46.20	397.44	4.42	-41.78
C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019906426	0	53	-1.0	-51.33	399.88	5.15	-46.18
C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019906426	1	53	-1.0	-51.32	399.94	5.17	-46.15
CC(C)(C)OC(=O)NCCSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906427	0	47	-1.0	-58.69	390.28	2.82	-55.87
CC(C)(C)OC(=O)NCCSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906427	1	47	-1.0	-58.71	390.34	2.85	-55.86
O=C(C(O)C1=CC=C(F)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906428	0	34	-1.0	-53.64	294.77	2.49	-51.15
O=C(C(O)C1=CC=C(F)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906428	1	34	-1.0	-53.68	294.82	2.51	-51.17
O=C(CC1(N2C=NN=N2)CCSCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906429	0	42	-1.0	-67.54	333.41	4.58	-62.96
O=C(CC1(N2C=NN=N2)CCSCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906429	1	42	-1.0	-67.52	333.35	4.56	-62.96
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL300019906430	0	34	-1.0	-53.70	297.75	0.84	-52.86
NC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL300019906430	1	34	-1.0	-53.74	297.81	0.86	-52.88
O=C(C=CC1=NC2=CC=CC=C2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906431	0	38	-1.0	-54.38	327.02	3.86	-50.52
O=C(C=CC1=NC2=CC=CC=C2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906431	1	38	-1.0	-54.38	327.08	3.87	-50.51
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906432	0	43	-1.0	-59.61	360.60	4.14	-55.47
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906432	1	43	-1.0	-59.63	360.66	4.15	-55.48
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906433	0	49	-1.0	-59.71	403.95	5.87	-53.84
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906433	1	49	-1.0	-59.67	404.01	5.89	-53.78
CN1C=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)N(C)C1=O	REAL300019906434	0	40	-1.0	-59.12	334.03	3.53	-55.59
CN1C=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)N(C)C1=O	REAL300019906434	1	40	-1.0	-59.10	334.08	3.56	-55.54
O=C(C1=NN=C2C=CC(Br)=CN21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906435	0	32	-1.0	-51.35	295.41	5.07	-46.28
O=C(C1=NN=C2C=CC(Br)=CN21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906435	1	32	-1.0	-51.36	295.36	5.04	-46.32
COC1=NC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Br	REAL300019906436	0	33	-1.0	-52.90	295.92	0.93	-51.97
COC1=NC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Br	REAL300019906436	1	33	-1.0	-52.85	295.86	0.90	-51.95
COC1=NSC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906437	0	34	-1.0	-50.29	308.16	1.18	-49.11
COC1=NSC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906437	1	34	-1.0	-50.27	308.22	1.19	-49.08
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)=C2	REAL300019906438	0	46	-1.0	-60.28	380.82	4.73	-55.55
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)=C2	REAL300019906438	1	46	-1.0	-60.30	380.88	4.76	-55.54
CC(C)CC1=NN=C2C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=CN12	REAL300019906439	0	44	-1.0	-65.30	360.84	6.74	-58.56
CC(C)CC1=NN=C2C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=CN12	REAL300019906439	1	44	-1.0	-65.25	360.90	6.75	-58.50
COC1(C(F)(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1	REAL300019906440	0	37	-1.0	-49.93	297.61	3.68	-46.25
COC1(C(F)(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1	REAL300019906440	1	37	-1.0	-49.96	297.67	3.71	-46.25
O=C(C1=CSC(CC(F)(F)F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906441	0	32	-1.0	-52.90	301.10	3.29	-49.61
O=C(C1=CSC(CC(F)(F)F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906441	1	32	-1.0	-52.90	301.16	3.31	-49.59
CC(C)(C)OC1CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C12CCC2	REAL300019906442	0	53	-1.0	-56.05	403.14	6.65	-49.40
CC(C)(C)OC1CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C12CCC2	REAL300019906442	1	53	-1.0	-56.04	403.20	6.68	-49.36
O=C(CC1CSC2=CC=CC=C2NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906443	0	42	-1.0	-58.72	347.77	5.90	-52.82
O=C(CC1CSC2=CC=CC=C2NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906443	1	42	-1.0	-58.72	347.83	5.93	-52.79
O=C(C1=COC2=C(F)C=C(F)C=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906444	0	33	-1.0	-54.17	291.05	4.14	-50.03
O=C(C1=COC2=C(F)C=C(F)C=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906444	1	33	-1.0	-54.21	291.10	4.15	-50.06
CCC1=CC=CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=C21	REAL300019906445	0	41	-1.0	-54.71	332.82	6.31	-48.40
CCC1=CC=CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=C21	REAL300019906445	1	41	-1.0	-54.72	332.76	6.29	-48.43
O=C(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906446	0	40	-1.0	-40.45	332.90	5.88	-34.57
O=C(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906446	1	40	-1.0	-40.44	332.97	5.88	-34.56
O=C(C1=CN(C2=NC(C3CC3)=NS2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906447	0	39	-1.0	-50.97	348.51	6.97	-44.00
O=C(C1=CN(C2=NC(C3CC3)=NS2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906447	1	39	-1.0	-50.96	348.45	6.94	-44.02
CC1(C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1C(F)(F)F	REAL300019906448	0	39	-1.0	-54.86	293.30	4.75	-50.11
CC1(C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1C(F)(F)F	REAL300019906448	1	39	-1.0	-54.82	293.36	4.76	-50.06
O=C(C1=CC=C2C(=C1)CCNC2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906449	0	38	-1.0	-48.62	303.91	1.48	-47.14
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CC(C)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCC1=O	REAL300019906450	0	43	-1.0	-51.34	332.04	3.60	-47.74
CC(C)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCC1=O	REAL300019906450	1	43	-1.0	-51.37	332.10	3.62	-47.75
CCOC(=O)C1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL300019906451	0	35	-1.0	-52.18	317.89	3.16	-49.02
CCOC(=O)C1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL300019906451	1	35	-1.0	-52.17	317.83	3.14	-49.03
C[C@@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300019906452	0	42	-1.0	-50.69	352.83	6.91	-43.78
C[C@@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300019906452	1	42	-1.0	-50.74	352.89	6.94	-43.80
C[C@@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300019906453	0	42	-1.0	-54.95	340.13	4.56	-50.39
C[C@@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300019906453	1	42	-1.0	-55.03	340.18	4.59	-50.44
O=C(CC1CCCC2(CCC2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906454	0	44	-1.0	-59.18	338.11	5.42	-53.76
O=C(CC1CCCC2(CCC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906454	1	44	-1.0	-59.16	338.16	5.44	-53.72
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL300019906455	0	50	-1.0	-57.01	390.06	4.05	-52.96
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL300019906455	1	50	-1.0	-57.01	390.12	4.07	-52.94
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC1	REAL300019906456	0	50	-1.0	-59.65	390.05	4.05	-55.60
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL300019906456	1	50	-1.0	-59.67	390.11	4.07	-55.60
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906457	0	50	-1.0	-50.97	390.07	4.73	-46.24
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906457	1	50	-1.0	-50.97	390.13	4.73	-46.24
CC1=C(Br)C=NN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906458	0	33	-1.0	-53.45	301.87	3.12	-50.33
CC1=C(Br)C=NN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906458	1	33	-1.0	-53.45	301.93	3.15	-50.30
O=C(C1CNC(=O)CC12CCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906459	0	41	-1.0	-62.95	313.10	1.58	-61.37
O=C(C1CNC(=O)CC12CCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906459	1	41	-1.0	-62.98	313.16	1.61	-61.37
O=C(CSC1=CC=CC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906460	0	34	-1.0	-55.71	316.97	5.71	-50.00
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CC(C)(C)OC(=O)N1CCC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C2C1	REAL300019906463	0	54	-1.0	-43.83	409.93	6.26	-37.57
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C2C1	REAL300019906463	1	54	-1.0	-43.83	410.01	6.27	-37.56
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL300019906464	0	56	-1.0	-51.67	419.15	5.88	-45.79
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL300019906464	1	56	-1.0	-51.68	419.21	5.91	-45.77
C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300019906465	0	53	-1.0	-58.03	379.97	5.41	-52.62
C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300019906465	1	53	-1.0	-58.01	380.00	5.43	-52.58
CC1(C)C2CCC1(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC2	REAL300019906466	0	46	-1.0	-53.06	331.87	5.91	-47.15
CC1(C)C2CCC1(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC2	REAL300019906466	1	46	-1.0	-53.08	331.93	5.93	-47.15
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CCC1=CC2=C(OCC2)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906468	0	41	-1.0	-45.64	317.29	5.31	-40.33
CCC1=CC2=C(OCC2)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906468	1	41	-1.0	-45.69	317.35	5.31	-40.38
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906469	0	50	-1.0	-52.71	411.90	8.76	-43.95
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906469	1	50	-1.0	-52.70	411.96	8.78	-43.92
CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906470	0	49	-1.0	-59.33	400.88	5.74	-53.59
CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906470	1	49	-1.0	-59.27	400.93	5.76	-53.51
O=C(C1=CC=C(CN2C=C(Cl)C=N2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906471	0	40	-1.0	-42.15	346.13	5.22	-36.93
O=C(C1=CC=C(CN2C=C(Cl)C=N2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906471	1	40	-1.0	-42.15	346.06	5.23	-36.92
O=C(C1=CC(C(F)(F)F)=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906472	0	30	-1.0	-51.94	282.12	3.62	-48.32
O=C(C1=CC(C(F)(F)F)=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906472	1	30	-1.0	-51.89	282.18	3.64	-48.25
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906473	0	37	-1.0	-56.10	317.59	-3.38	-59.48
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906473	1	37	-1.0	-56.09	317.64	-3.36	-59.45
O=C(C1=CC=CC(OCC2CC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906474	0	41	-1.0	-53.54	333.75	5.36	-48.18
O=C(C1=CC=CC(OCC2CC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906474	1	41	-1.0	-53.50	333.81	5.38	-48.12
CSC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=C1	REAL300019906475	0	34	-1.0	-40.84	297.65	4.59	-36.25
CSC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=C1	REAL300019906475	1	34	-1.0	-40.89	297.72	4.59	-36.30
CC1=C(Cl)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Br	REAL300019906476	0	33	-1.0	-49.11	304.18	5.15	-43.96
CC1=C(Cl)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Br	REAL300019906476	1	33	-1.0	-49.12	304.24	5.17	-43.95
O=C(C1=C2SC(C(F)F)=NC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906477	0	35	-1.0	-41.60	307.84	3.53	-38.07
O=C(C1=C2SC(C(F)F)=NC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906477	1	35	-1.0	-41.61	307.91	3.54	-38.07
CC(F)(F)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906478	0	36	-1.0	-54.37	303.93	5.07	-49.30
CC(F)(F)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906478	1	36	-1.0	-54.38	303.99	5.10	-49.28
CC1=NC=C2CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CCC2=N1	REAL300019906479	0	41	-1.0	-52.01	326.07	4.01	-48.00
CC1=NC=C2CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CCC2=N1	REAL300019906479	1	41	-1.0	-52.02	326.13	4.04	-47.98
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300019906480	0	36	-1.0	-51.40	319.96	4.44	-46.96
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300019906480	1	36	-1.0	-51.41	320.01	4.46	-46.95
CCC1=NC=C2CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CCC2=N1	REAL300019906481	0	44	-1.0	-51.94	347.40	4.60	-47.34
CCC1=NC=C2CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CCC2=N1	REAL300019906481	1	44	-1.0	-51.93	347.46	4.63	-47.30
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)OC1=CC=CC=C1	REAL300019906482	0	34	-1.0	-50.68	294.63	4.61	-46.07
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)OC1=CC=CC=C1	REAL300019906482	1	34	-1.0	-50.72	294.69	4.63	-46.09
CC1=CN(CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)N=C1	REAL300019906483	0	43	-1.0	-42.47	350.09	5.37	-37.10
CC1=CN(CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)N=C1	REAL300019906483	1	43	-1.0	-42.49	350.02	5.36	-37.13
O=C(CCC1=CC=C(Br)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906484	0	33	-1.0	-50.21	312.55	5.29	-44.92
O=C(CCC1=CC=C(Br)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906484	1	33	-1.0	-50.21	312.60	5.32	-44.89
CN1C=CC(C23CC(CC2)C3C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019906485	0	44	-1.0	-62.75	346.87	5.62	-57.13
CN1C=CC(C23CC(CC2)C3C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019906485	1	44	-1.0	-62.77	346.81	5.60	-57.17
CC(C)(C)C1=CC=C(N2N=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CCC2=O)C=C1	REAL300019906486	0	53	-1.0	-47.89	416.85	7.14	-40.75
CC(C)(C)C1=CC=C(N2N=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CCC2=O)C=C1	REAL300019906486	1	53	-1.0	-47.84	416.90	7.17	-40.67
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N2CC2CC2)S1	REAL300019906487	0	44	-1.0	-52.83	366.84	7.49	-45.34
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N2CC2CC2)S1	REAL300019906487	1	44	-1.0	-52.86	366.90	7.52	-45.34
O=C(CCC=CBr)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906488	0	30	-1.0	-49.59	275.00	3.73	-45.86
O=C(CCC=CBr)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906488	1	30	-1.0	-49.55	275.06	3.75	-45.80
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906489	0	54	-1.0	-52.70	406.06	2.95	-49.75
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906489	1	54	-1.0	-52.71	406.12	2.98	-49.73
CC1=CC(F)=CC(C(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906490	0	39	-1.0	-58.72	318.66	5.62	-53.10
CC1=CC(F)=CC(C(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906490	1	39	-1.0	-58.67	318.72	5.65	-53.02
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906491	0	36	-1.0	-52.25	315.59	3.12	-49.13
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906491	1	36	-1.0	-52.25	315.53	3.10	-49.15
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906492	0	37	-1.0	-53.90	329.73	5.55	-48.35
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906492	1	37	-1.0	-53.91	329.78	5.57	-48.34
CC1(C)CCC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300019906493	0	45	-1.0	-40.25	346.55	5.20	-35.05
CC1(C)CCC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C(Cl)N=C2C1	REAL300019906493	1	45	-1.0	-40.24	346.60	5.19	-35.05
O=C(CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906494	0	40	-1.0	-58.01	366.50	5.75	-52.26
O=C(CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906494	1	40	-1.0	-57.99	366.44	5.73	-52.26
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906495	0	39	-1.0	-53.25	328.03	6.07	-47.18
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906495	1	39	-1.0	-53.26	328.08	6.09	-47.17
O=C(COC1=CC=CC=C1C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906496	0	37	-1.0	-59.18	318.10	5.57	-53.61
O=C(COC1=CC=CC=C1C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906496	1	37	-1.0	-59.21	318.16	5.60	-53.61
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906497	0	37	-1.0	-41.63	306.55	5.30	-36.33
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906497	1	37	-1.0	-41.59	306.62	5.29	-36.30
CCOC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)SC2=NC=C1	REAL300019906498	0	39	-1.0	-56.07	335.45	3.39	-52.68
CCOC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)SC2=NC=C1	REAL300019906498	1	39	-1.0	-56.13	335.40	3.36	-52.77
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906499	0	45	-1.0	-48.63	354.74	2.78	-45.85
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906499	1	45	-1.0	-48.69	354.80	2.81	-45.88
COC(=O)CC[C@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019906500	0	55	-1.0	-50.47	434.01	4.25	-46.22
COC(=O)CC[C@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019906500	1	55	-1.0	-50.49	434.07	4.28	-46.21
O=C(C1CC2CC1C1C2C1(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906501	0	38	-1.0	-51.80	294.24	4.95	-46.85
O=C(C1CC2CC1C1C2C1(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906501	1	38	-1.0	-51.83	294.30	4.98	-46.85
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906502	0	40	-1.0	-54.86	330.34	4.69	-50.17
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906502	1	40	-1.0	-54.87	330.29	4.66	-50.21
O=C(C1CCC2(CC1)COCCO2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906503	0	45	-1.0	-58.08	334.85	2.95	-55.13
O=C(C1CCC2(CC1)COCCO2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906503	1	45	-1.0	-58.09	334.90	2.98	-55.11
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906504	0	33	-1.0	-51.12	308.27	5.07	-46.05
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906504	1	33	-1.0	-51.10	308.33	5.09	-46.01
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906505	0	56	-1.0	-55.14	426.34	4.66	-50.48
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906505	1	56	-1.0	-55.11	426.40	4.67	-50.44
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906506	0	41	-1.0	-53.42	336.10	6.59	-46.83
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906506	1	41	-1.0	-53.39	336.16	6.61	-46.78
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906507	0	36	-1.0	-64.98	313.04	-2.66	-67.64
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906507	1	36	-1.0	-64.96	312.98	-2.69	-67.65
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906508	0	38	-1.0	-60.05	313.36	1.33	-58.72
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906508	1	38	-1.0	-60.06	313.41	1.35	-58.71
O=C(C1=NNC2=CC=C(F)C=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906509	0	33	-1.0	-58.36	287.07	2.93	-55.43
O=C(C1=NNC2=CC=C(F)C=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906509	1	33	-1.0	-58.38	287.01	2.91	-55.47
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906510	0	34	-1.0	-49.09	297.43	2.32	-46.77
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906510	1	34	-1.0	-49.08	297.49	2.34	-46.74
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906511	0	34	-1.0	-52.38	297.41	2.46	-49.92
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906511	1	34	-1.0	-52.39	297.47	2.49	-49.90
CCC1=NN(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL300019906512	0	36	-1.0	-46.52	321.00	3.44	-43.08
CCC1=NN(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL300019906512	1	36	-1.0	-46.55	321.05	3.46	-43.09
O=C(CSC1=CC=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906513	0	34	-1.0	-54.38	304.19	5.22	-49.16
O=C(CSC1=CC=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906513	1	34	-1.0	-54.38	304.24	5.25	-49.13
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906514	0	31	-1.0	-50.21	286.17	2.87	-47.34
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906514	1	31	-1.0	-50.23	286.23	2.89	-47.34
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906515	0	40	-1.0	-60.35	340.95	3.68	-56.67
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906515	1	40	-1.0	-60.33	341.01	3.71	-56.62
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906516	0	33	-1.0	-46.56	305.82	5.29	-41.27
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906516	1	33	-1.0	-46.54	305.87	5.30	-41.24
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906517	0	37	-1.0	-59.18	310.13	1.84	-57.34
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906517	1	37	-1.0	-59.21	310.07	1.83	-57.38
CC1(C)CCC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300019906518	0	45	-1.0	-40.25	346.55	5.20	-35.05
CC1(C)CCC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C(Cl)N=C2C1	REAL300019906518	1	45	-1.0	-40.24	346.60	5.19	-35.05
CC1=CC(C)=C2NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=C1	REAL300019906519	0	40	-1.0	-53.27	326.15	5.39	-47.88
CC1=CC(C)=C2NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=C1	REAL300019906519	1	40	-1.0	-53.28	326.10	5.37	-47.91
CC1=NC2=C(NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)S1	REAL300019906520	0	33	-1.0	-54.22	290.46	1.99	-52.23
CC1=NC2=C(NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)S1	REAL300019906520	1	33	-1.0	-54.23	290.52	2.01	-52.22
CC1(C)OCC2=C1NN=C2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906521	0	38	-1.0	-55.07	312.03	1.19	-53.88
CC1(C)OCC2=C1NN=C2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906521	1	38	-1.0	-55.10	312.09	1.22	-53.88
CC1(C)OCC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NN=C21	REAL300019906521	1	38	-1.0	-49.42	309.65	1.11	-48.31
CC1(C)OCC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NN=C21	REAL300019906521	1	38	-1.0	-49.44	309.70	1.14	-48.30
O=C(C1=CC(C2CCOCC2)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906522	0	41	-1.0	-50.86	326.19	1.83	-49.03
O=C(C1=CC(C2CCOCC2)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906522	1	41	-1.0	-50.86	326.25	1.85	-49.01
O=C(C1=CN(C2CCCC2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906523	0	40	-1.0	-52.72	317.13	4.00	-48.72
O=C(C1=CN(C2CCCC2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906523	1	40	-1.0	-52.79	317.08	3.98	-48.81
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906524	0	36	-1.0	-54.97	303.87	4.29	-50.68
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906524	1	36	-1.0	-54.99	303.93	4.32	-50.67
O=C(CCN1C=CC2=CC=CN=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906525	0	39	-1.0	-52.62	328.45	5.86	-46.76
O=C(CCN1C=CC2=CC=CN=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906525	1	39	-1.0	-52.59	328.39	5.84	-46.75
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL300019906526	0	35	-1.0	-57.17	305.21	5.84	-51.33
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL300019906526	1	35	-1.0	-57.17	305.27	5.85	-51.32
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906527	0	36	-1.0	-67.46	322.67	1.74	-65.72
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906527	1	36	-1.0	-67.44	322.73	1.77	-65.67
COC1=CC=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NC2=N1	REAL300019906528	0	37	-1.0	-51.35	310.42	1.82	-49.53
COC1=CC=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NC2=N1	REAL300019906528	1	37	-1.0	-51.36	310.47	1.83	-49.53
COC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(C)S1	REAL300019906529	0	36	-1.0	-52.84	317.63	4.06	-48.78
COC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(C)S1	REAL300019906529	1	36	-1.0	-52.86	317.69	4.08	-48.78
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906530	0	43	-1.0	-60.64	353.26	1.46	-59.18
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906530	1	43	-1.0	-60.64	353.32	1.48	-59.16
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906531	0	33	-1.0	-60.59	300.23	3.92	-56.67
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906531	1	33	-1.0	-60.61	300.18	3.91	-56.70
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)=C2	REAL300019906532	0	36	-1.0	-52.01	335.20	4.79	-47.22
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)=C2	REAL300019906532	1	36	-1.0	-52.01	335.26	4.81	-47.20
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906533	0	39	-1.0	-62.42	340.00	4.06	-58.36
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906533	1	39	-1.0	-62.45	340.06	4.08	-58.37
O=C(CSC1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906534	0	34	-1.0	-53.71	314.51	5.66	-48.05
O=C(CSC1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906534	1	34	-1.0	-53.72	314.56	5.69	-48.03
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1I	REAL300019906535	0	34	-1.0	-50.33	306.90	4.00	-46.33
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1I	REAL300019906535	1	34	-1.0	-50.30	306.95	4.03	-46.27
COCC1=CN=C(OC)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906536	0	40	-1.0	-58.31	332.55	1.01	-57.30
COCC1=CN=C(OC)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906536	1	40	-1.0	-58.35	332.50	0.99	-57.36
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906537	0	43	-1.0	-49.62	354.84	7.34	-42.28
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906537	1	43	-1.0	-49.61	354.90	7.36	-42.25
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC2=CC=C(Br)C=C21	REAL300019906538	0	39	-1.0	-49.66	343.44	6.50	-43.16
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC2=CC=C(Br)C=C21	REAL300019906538	1	39	-1.0	-49.64	343.49	6.51	-43.13
COC1=CC=C(C(C)=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906539	0	41	-1.0	-51.53	337.67	5.25	-46.28
COC1=CC=C(C(C)=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906539	1	41	-1.0	-51.56	337.73	5.28	-46.28
CC1(C)OC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2O1	REAL300019906540	0	39	-1.0	-41.45	312.48	3.32	-38.13
CC1(C)OC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2O1	REAL300019906540	1	39	-1.0	-41.50	312.43	3.33	-38.17
COC1=CC=C(C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)F)C=C1	REAL300019906541	0	43	-1.0	-51.62	352.47	5.28	-46.34
COC1=CC=C(C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)F)C=C1	REAL300019906541	1	43	-1.0	-51.64	352.52	5.31	-46.33
COC1=CC2=C(OCC2)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906542	0	39	-1.0	-58.52	317.61	2.75	-55.77
COC1=CC2=C(OCC2)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906542	1	39	-1.0	-58.51	317.67	2.77	-55.74
CC1=CC(=O)N(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019906543	0	38	-1.0	-61.38	321.09	4.08	-57.30
CC1=CC(=O)N(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019906543	1	38	-1.0	-61.39	321.14	4.11	-57.28
CC1=CSC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=CN=C12	REAL300019906544	0	34	-1.0	-51.62	299.99	4.50	-47.12
CC1=CSC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=CN=C12	REAL300019906544	1	34	-1.0	-51.65	299.93	4.47	-47.18
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906545	0	44	-1.0	-51.11	357.54	4.15	-46.96
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906545	1	44	-1.0	-51.14	357.60	4.17	-46.97
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1	REAL300019906546	0	47	-1.0	-62.49	381.16	2.20	-60.29
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1	REAL300019906546	1	47	-1.0	-62.44	381.22	2.22	-60.22
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906547	0	51	-1.0	-63.35	404.47	4.56	-58.79
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906547	1	51	-1.0	-63.33	404.53	4.57	-58.76
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906548	0	50	-1.0	-51.54	387.38	3.38	-48.16
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906548	1	50	-1.0	-51.52	387.44	3.40	-48.12
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906549	0	50	-1.0	-47.86	396.51	3.67	-44.19
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906549	1	50	-1.0	-47.86	396.56	3.70	-44.16
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906550	0	53	-1.0	-55.01	414.90	4.30	-50.71
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906550	1	53	-1.0	-55.03	414.96	4.33	-50.70
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906551	0	50	-1.0	-52.81	401.28	1.57	-51.24
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906551	1	50	-1.0	-52.84	401.33	1.59	-51.25
O=C(CC1=NN=C2COCCN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906552	0	37	-1.0	-60.25	308.10	2.11	-58.14
O=C(CC1=NN=C2COCCN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906552	1	37	-1.0	-60.24	308.15	2.14	-58.10
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(N)C(OC)=C1OC	REAL300019906553	0	44	-1.0	-50.36	358.11	1.02	-49.34
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(N)C(OC)=C1OC	REAL300019906553	1	44	-1.0	-50.37	358.17	1.04	-49.33
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906554	0	32	-1.0	-45.79	295.83	2.83	-42.96
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906554	1	32	-1.0	-45.78	295.89	2.84	-42.94
NC1=CC=C(Br)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906555	0	32	-1.0	-49.37	284.77	2.28	-47.09
NC1=CC=C(Br)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906555	1	32	-1.0	-49.39	284.83	2.29	-47.10
NC1=CC=C(I)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906556	0	32	-1.0	-49.11	291.25	2.75	-46.36
NC1=CC=C(I)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906556	1	32	-1.0	-49.07	291.31	2.77	-46.30
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300019906557	0	35	-1.0	-49.84	297.75	2.82	-47.02
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300019906557	1	35	-1.0	-49.91	297.81	2.83	-47.08
CC1=CC(Br)=C(N)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906558	0	35	-1.0	-48.47	304.60	3.12	-45.35
CC1=CC(Br)=C(N)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906558	1	35	-1.0	-48.43	304.66	3.13	-45.30
NC1=C(Br)C=C(F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906559	0	32	-1.0	-45.87	289.62	2.53	-43.34
NC1=C(Br)C=C(F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906559	1	32	-1.0	-45.86	289.68	2.55	-43.31
NC1=C(Br)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906560	0	32	-1.0	-48.57	283.30	2.46	-46.11
NC1=C(Br)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906560	1	32	-1.0	-48.57	283.36	2.48	-46.09
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC(Cl)=C1Cl	REAL300019906561	0	32	-1.0	-47.30	293.01	2.70	-44.60
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC(Cl)=C1Cl	REAL300019906561	1	32	-1.0	-47.29	293.07	2.71	-44.58
NC1=C(I)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906562	0	32	-1.0	-48.33	289.23	2.94	-45.39
NC1=C(I)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906562	1	32	-1.0	-48.36	289.29	2.96	-45.40
NC1=C(F)C=C(Br)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906563	0	32	-1.0	-45.78	291.47	2.45	-43.33
NC1=C(F)C=C(Br)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906563	1	32	-1.0	-45.75	291.53	2.47	-43.28
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906564	0	35	-1.0	-49.19	303.70	2.75	-46.44
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906564	1	35	-1.0	-49.20	303.75	2.76	-46.44
CC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL300019906565	0	35	-1.0	-48.96	303.87	3.13	-45.83
CC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL300019906565	1	35	-1.0	-48.96	303.92	3.15	-45.81
NC1=CC(F)=C(Br)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906566	0	32	-1.0	-46.23	291.70	2.40	-43.83
NC1=CC(F)=C(Br)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906566	1	32	-1.0	-46.25	291.75	2.42	-43.83
CC1=CC(Cl)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL300019906567	0	35	-1.0	-49.12	299.30	3.03	-46.09
CC1=CC(Cl)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL300019906567	1	35	-1.0	-49.08	299.36	3.04	-46.04
CC1=CC(Cl)=C(N)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906568	0	35	-1.0	-48.53	300.50	2.98	-45.55
CC1=CC(Cl)=C(N)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906568	1	35	-1.0	-48.55	300.56	3.00	-45.55
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906569	0	32	-1.0	-46.32	287.29	2.30	-44.02
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906569	1	32	-1.0	-46.31	287.35	2.32	-43.99
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906570	0	32	-1.0	-45.70	299.93	2.96	-42.74
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906570	1	32	-1.0	-45.71	299.99	2.98	-42.73
CC1=CN(C2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C(N)C=C2F)N=C1	REAL300019906571	0	42	-1.0	-51.97	348.28	3.61	-48.36
CC1=CN(C2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C(N)C=C2F)N=C1	REAL300019906571	1	42	-1.0	-51.96	348.22	3.59	-48.37
COC1=CC(N)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300019906572	0	42	-1.0	-61.92	351.73	-0.86	-62.78
COC1=CC(N)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300019906572	1	42	-1.0	-61.95	351.79	-0.84	-62.79
CC1=C(Br)C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL300019906573	0	35	-1.0	-47.77	300.65	3.04	-44.73
CC1=C(Br)C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL300019906573	1	35	-1.0	-47.74	300.71	3.05	-44.69
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(N)=C1Cl	REAL300019906574	0	35	-1.0	-49.01	297.80	2.90	-46.11
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(N)=C1Cl	REAL300019906574	1	35	-1.0	-48.98	297.86	2.91	-46.07
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906575	0	32	-1.0	-45.97	285.53	2.40	-43.57
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906575	1	32	-1.0	-45.96	285.58	2.41	-43.55
COC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(N)=C1F	REAL300019906576	0	36	-1.0	-51.37	298.14	1.07	-50.30
COC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(N)=C1F	REAL300019906576	1	36	-1.0	-51.39	298.20	1.09	-50.30
COC1=C(F)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(N)=C1F	REAL300019906577	0	36	-1.0	-46.31	308.36	1.25	-45.06
COC1=C(F)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(N)=C1F	REAL300019906577	1	36	-1.0	-46.31	308.41	1.26	-45.05
NC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL300019906578	0	34	-1.0	-49.92	297.19	0.43	-49.49
NC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL300019906578	1	34	-1.0	-49.94	297.24	0.44	-49.50
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906579	0	32	-1.0	-46.34	296.59	2.71	-43.63
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906579	1	32	-1.0	-46.39	296.64	2.73	-43.66
NC1=CC(Br)=C(F)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906580	0	32	-1.0	-46.48	291.70	2.41	-44.07
NC1=CC(Br)=C(F)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906580	1	32	-1.0	-46.49	291.75	2.43	-44.06
COC1=CC(Br)=C(N)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906581	0	36	-1.0	-49.33	312.02	1.66	-47.67
COC1=CC(Br)=C(N)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906581	1	36	-1.0	-49.33	312.08	1.67	-47.66
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC(Cl)=C1F	REAL300019906582	0	32	-1.0	-47.62	285.10	2.25	-45.37
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC(Cl)=C1F	REAL300019906582	1	32	-1.0	-47.60	285.16	2.27	-45.33
COC1=CC(N)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Br	REAL300019906583	0	36	-1.0	-49.67	314.52	1.72	-47.95
COC1=CC(N)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Br	REAL300019906583	1	36	-1.0	-49.66	314.58	1.73	-47.93
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC(Br)=C1F	REAL300019906584	0	32	-1.0	-47.41	289.51	2.35	-45.06
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC(Br)=C1F	REAL300019906584	1	32	-1.0	-47.42	289.57	2.37	-45.05
COC1=CC(OC)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(N)=C1Cl	REAL300019906585	0	40	-1.0	-54.51	344.30	1.01	-53.50
COC1=CC(OC)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(N)=C1Cl	REAL300019906585	1	40	-1.0	-54.53	344.36	1.03	-53.50
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906586	0	29	-1.0	-46.98	284.85	3.73	-43.25
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906586	1	29	-1.0	-46.99	284.79	3.70	-43.29
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906587	0	45	-1.0	-59.96	379.57	-1.92	-61.88
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906587	1	45	-1.0	-59.97	379.62	-1.89	-61.86
O=C(CCC1=C(Br)SC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906588	0	33	-1.0	-51.97	309.68	5.04	-46.93
O=C(CCC1=C(Br)SC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906588	1	33	-1.0	-51.97	309.74	5.07	-46.90
CN1C=C(Br)C(=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906589	0	33	-1.0	-66.36	306.01	3.68	-62.68
CN1C=C(Br)C(=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906589	1	33	-1.0	-66.36	306.07	3.69	-62.67
CC(C)(C)OC1CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL300019906590	0	52	-1.0	-57.33	392.60	6.01	-51.32
CC(C)(C)OC1CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL300019906590	1	52	-1.0	-57.32	392.66	6.04	-51.28
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906591	0	32	-1.0	-51.92	295.45	5.03	-46.89
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906591	1	32	-1.0	-51.83	295.40	5.00	-46.83
O=C(C1CC2=CC=CC=C2NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906592	0	38	-1.0	-52.36	313.70	2.76	-49.60
O=C(C1CC2=CC=CC=C2NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906592	1	38	-1.0	-52.36	313.76	2.77	-49.59
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC=C(F)C=C21	REAL300019906593	0	37	-1.0	-50.95	308.27	4.84	-46.11
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC=C(F)C=C21	REAL300019906593	1	37	-1.0	-50.95	308.21	4.82	-46.13
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906594	0	37	-1.0	-50.99	308.55	5.48	-45.51
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906594	1	37	-1.0	-51.01	308.61	5.49	-45.52
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019906595	0	41	-1.0	-49.66	357.50	4.09	-45.57
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019906595	1	41	-1.0	-49.68	357.56	4.10	-45.58
O=C(C1CC2CC(O)CC(C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906596	0	44	-1.0	-55.90	318.83	1.85	-54.05
O=C(C1CC2CC(O)CC(C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906596	1	44	-1.0	-55.97	318.89	1.88	-54.09
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906597	0	40	-2.0	-96.28	347.30	3.72	-92.56
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906597	1	40	-2.0	-96.30	347.36	3.73	-92.57
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906598	0	30	-1.0	-50.88	290.24	1.84	-49.04
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906598	1	30	-1.0	-50.86	290.29	1.86	-49.00
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906599	0	36	-1.0	-50.59	306.48	2.28	-48.31
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906599	1	36	-1.0	-50.60	306.53	2.29	-48.31
CC1=NSC(Br)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906600	0	29	-1.0	-46.51	285.23	2.71	-43.80
CC1=NSC(Br)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906600	1	29	-1.0	-46.46	285.29	2.72	-43.74
CC1=CN2CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CCC2=N1	REAL300019906601	0	40	-1.0	-52.33	321.51	4.57	-47.76
CC1=CN2CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CCC2=N1	REAL300019906601	1	40	-1.0	-52.30	321.56	4.59	-47.71
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906602	0	32	-1.0	-37.01	283.13	3.23	-33.78
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906602	1	32	-1.0	-36.99	283.07	3.23	-33.76
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL300019906603	0	40	-1.0	-44.47	337.60	3.41	-41.06
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL300019906603	1	40	-1.0	-44.50	337.66	3.40	-41.10
NC1=C(Br)C=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906604	0	31	-1.0	-46.23	278.38	0.57	-45.66
NC1=C(Br)C=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906604	1	31	-1.0	-46.23	278.44	0.59	-45.64
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906605	0	40	0.0	-81.18	321.99	1.78	-79.40
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906605	1	40	0.0	-81.23	322.05	1.79	-79.44
O=C(CCN1CCCC2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906606	0	45	-1.0	-52.50	346.96	5.11	-47.39
O=C(CCN1CCCC2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906606	1	45	-1.0	-52.54	347.01	5.13	-47.41
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906607	0	47	-1.0	-56.02	376.76	-0.13	-56.15
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906607	1	47	-1.0	-55.99	376.82	-0.10	-56.09
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)S1	REAL300019906608	0	35	-1.0	-55.54	334.94	-1.05	-56.59
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)S1	REAL300019906608	1	35	-1.0	-55.52	335.00	-1.02	-56.54
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL300019906609	0	40	-1.0	-50.96	342.00	5.09	-45.87
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL300019906609	1	40	-1.0	-50.93	342.05	5.12	-45.81
O=C(C(O)CC1=CC=NC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906610	0	36	-1.0	-53.40	312.71	2.18	-51.22
O=C(C(O)CC1=CC=NC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906610	1	36	-1.0	-53.41	312.78	2.21	-51.20
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906611	0	47	-1.0	-52.36	372.70	-0.12	-52.48
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906611	1	47	-1.0	-52.36	372.76	-0.10	-52.46
O=C(C1=CC=C(Br)C(C(F)(F)F)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906612	0	32	-1.0	-46.55	304.42	4.22	-42.33
O=C(C1=CC=C(Br)C(C(F)(F)F)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906612	1	32	-1.0	-46.57	304.37	4.19	-42.38
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL300019906613	0	51	-1.0	-72.77	399.61	4.97	-67.80
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL300019906613	1	51	-1.0	-72.79	399.67	5.00	-67.79
CC1=C(I)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL300019906614	0	29	-1.0	-49.35	277.06	3.33	-46.02
CC1=C(I)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL300019906614	1	29	-1.0	-49.34	277.12	3.36	-45.98
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL300019906615	0	45	-1.0	-58.34	360.56	4.09	-54.25
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL300019906615	1	45	-1.0	-58.34	360.62	4.11	-54.23
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906616	0	44	-1.0	-48.45	360.04	1.99	-46.46
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906616	1	44	-1.0	-48.45	360.09	2.02	-46.43
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)[C@H](O)C1	REAL300019906617	0	51	-1.0	-60.74	400.10	1.34	-59.40
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)[C@H](O)C1	REAL300019906617	1	51	-1.0	-60.71	400.16	1.37	-59.34
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL300019906618	0	51	-1.0	-72.77	399.61	4.97	-67.80
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL300019906618	1	51	-1.0	-72.79	399.67	5.00	-67.79
COC(CF)(OC)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906619	0	44	-1.0	-43.88	344.67	3.49	-40.39
COC(CF)(OC)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906619	1	44	-1.0	-43.86	344.73	3.48	-40.38
CCOC(=O)CCC(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906620	0	38	-1.0	-50.56	324.84	4.16	-46.40
CCOC(=O)CCC(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906620	1	38	-1.0	-50.55	324.90	4.19	-46.36
COC1=CC(OC)=C(N)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906621	0	40	-1.0	-52.95	321.28	0.37	-52.58
COC1=CC(OC)=C(N)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906621	1	40	-1.0	-52.92	321.34	0.39	-52.53
C[C@H](C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300019906622	0	39	-1.0	-54.25	322.27	3.74	-50.51
C[C@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300019906622	1	39	-1.0	-54.26	322.32	3.76	-50.50
CS(=O)(=O)N1CCC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906623	0	45	-1.0	-60.18	370.55	1.12	-59.06
CS(=O)(=O)N1CCC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906623	1	45	-1.0	-60.18	370.61	1.14	-59.04
CC1=CN(C2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)N=C1	REAL300019906624	0	40	-1.0	-64.00	331.07	5.44	-58.56
CC1=CN(C2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)N=C1	REAL300019906624	1	40	-1.0	-63.98	331.01	5.42	-58.56
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906625	0	39	-1.0	-51.51	328.94	5.89	-45.62
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906625	1	39	-1.0	-51.51	329.00	5.91	-45.60
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906626	0	41	-1.0	-47.38	343.11	6.78	-40.60
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906626	1	41	-1.0	-47.36	343.16	6.78	-40.58
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906627	0	36	-1.0	-54.29	302.04	5.90	-48.39
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906627	1	36	-1.0	-54.30	301.98	5.88	-48.42
CN1C(Br)=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906628	0	30	-1.0	-47.20	273.75	3.35	-43.85
CN1C(Br)=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906628	1	30	-1.0	-47.16	273.69	3.32	-43.84
O=C(C1=NN(CC(F)(F)F)C=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906629	0	33	-1.0	-59.00	315.84	3.97	-55.03
O=C(C1=NN(CC(F)(F)F)C=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906629	1	33	-1.0	-59.01	315.78	3.94	-55.07
O=C(CCC1=CSC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906630	0	33	-1.0	-50.29	312.28	5.14	-45.15
O=C(CCC1=CSC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906630	1	33	-1.0	-50.28	312.33	5.17	-45.11
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL300019906631	0	47	-1.0	-57.32	380.91	7.15	-50.17
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300019906631	1	47	-1.0	-57.32	380.97	7.17	-50.15
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906632	0	37	-1.0	-53.68	341.79	7.00	-46.68
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906632	1	37	-1.0	-53.67	341.84	7.03	-46.64
O=C(C1=CC=NN1C1CC1(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906633	0	34	-1.0	-49.10	293.25	3.37	-45.73
O=C(C1=CC=NN1C1CC1(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906633	1	34	-1.0	-49.13	293.20	3.36	-45.77
CCOC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019906634	0	44	-1.0	-53.19	353.19	4.97	-48.22
CCOC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019906634	1	44	-1.0	-53.23	353.24	4.98	-48.25
CCC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019906635	0	43	-1.0	-52.07	344.65	6.19	-45.88
CCC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019906635	1	43	-1.0	-52.06	344.71	6.21	-45.85
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL300019906636	0	43	-1.0	-52.40	337.52	5.88	-46.52
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL300019906636	1	43	-1.0	-52.38	337.46	5.87	-46.51
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL300019906637	0	46	-1.0	-51.95	361.83	6.66	-45.29
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300019906637	1	46	-1.0	-51.95	361.89	6.68	-45.27
COC(=O)C1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)SC2=CC=C1	REAL300019906638	0	39	-1.0	-63.59	339.99	5.50	-58.09
COC(=O)C1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)SC2=CC=C1	REAL300019906638	1	39	-1.0	-63.60	340.05	5.53	-58.07
COC(=O)C1=NC=CC=C1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906639	0	41	-1.0	-62.43	342.91	4.11	-58.32
COC(=O)C1=NC=CC=C1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906639	1	41	-1.0	-62.44	342.85	4.09	-58.35
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906640	0	50	-1.0	-57.49	392.81	3.32	-54.17
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906640	1	50	-1.0	-57.50	392.86	3.34	-54.16
CNC(=O)C1=CN=CC(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906641	0	40	-1.0	-60.21	339.73	1.66	-58.55
CNC(=O)C1=CN=CC(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906641	1	40	-1.0	-60.18	339.79	1.68	-58.50
O=C(C=CC1=CC=NC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906642	0	33	-1.0	-51.64	300.15	3.83	-47.81
O=C(C=CC1=CC=NC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906642	1	33	-1.0	-51.63	300.21	3.86	-47.77
COC1=CC=C(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL300019906643	0	39	-1.0	-52.99	319.96	1.67	-51.32
COC1=CC=C(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL300019906643	1	39	-1.0	-52.89	320.02	1.68	-51.21
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906644	0	39	-1.0	-55.80	327.03	5.44	-50.36
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906644	1	39	-1.0	-55.81	327.09	5.46	-50.35
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906645	0	37	-1.0	-50.99	308.55	5.48	-45.51
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906645	1	37	-1.0	-51.01	308.61	5.49	-45.52
NS(=O)(=O)C1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906646	0	41	-1.0	-58.27	333.94	-0.95	-59.22
NS(=O)(=O)C1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906646	1	41	-1.0	-58.29	334.00	-0.94	-59.23
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906647	0	36	-1.0	-51.04	313.69	4.85	-46.19
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906647	1	36	-1.0	-51.03	313.63	4.82	-46.21
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906648	0	34	-1.0	-52.62	304.65	2.94	-49.68
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906648	1	34	-1.0	-52.64	304.70	2.96	-49.68
COC1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1OC	REAL300019906649	0	35	-1.0	-55.67	302.27	2.52	-53.15
COC1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1OC	REAL300019906649	1	35	-1.0	-55.72	302.33	2.54	-53.18
O=C(C1=CC=C(Br)C2=CC=CN=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906650	0	35	-1.0	-45.02	301.52	4.38	-40.64
O=C(C1=CC=C(Br)C2=CC=CN=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906650	1	35	-1.0	-44.99	301.45	4.37	-40.62
CSC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019906651	0	37	-1.0	-56.01	324.81	6.07	-49.94
CSC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019906651	1	37	-1.0	-56.02	324.87	6.10	-49.92
CC1=CC2=NC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2C=C1	REAL300019906652	0	38	-1.0	-54.75	313.31	4.59	-50.16
CC1=CC2=NC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2C=C1	REAL300019906652	1	38	-1.0	-54.74	313.37	4.61	-50.13
COC1=C(F)C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1F	REAL300019906653	0	34	-1.0	-38.08	287.94	2.63	-35.45
COC1=C(F)C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1F	REAL300019906653	1	34	-1.0	-38.08	288.01	2.64	-35.44
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906654	0	36	-1.0	-62.74	322.74	3.90	-58.84
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906654	1	36	-1.0	-62.79	322.80	3.92	-58.87
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906655	0	36	-1.0	-52.76	304.93	3.32	-49.44
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906655	1	36	-1.0	-52.75	304.87	3.30	-49.45
C[C@@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019906656	0	43	-1.0	-52.63	360.08	5.68	-46.95
C[C@@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019906656	1	43	-1.0	-52.65	360.13	5.71	-46.94
CC1(C)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCS1(=O)=O	REAL300019906657	0	39	-1.0	-58.42	310.55	0.68	-57.74
CC1(C)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCS1(=O)=O	REAL300019906657	1	39	-1.0	-58.42	310.60	0.70	-57.72
COC1=CC(F)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL300019906658	0	36	-1.0	-49.69	298.84	1.14	-48.55
COC1=CC(F)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL300019906658	1	36	-1.0	-49.65	298.89	1.15	-48.50
CC(C)N1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC1=O	REAL300019906659	0	39	-1.0	-61.84	319.66	4.14	-57.70
CC(C)N1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC1=O	REAL300019906659	1	39	-1.0	-61.86	319.71	4.16	-57.70
O=C(CCCCN1C(=O)CCC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906660	0	42	-1.0	-60.95	348.99	3.71	-57.24
O=C(CCCCN1C(=O)CCC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906660	1	42	-1.0	-60.92	349.04	3.73	-57.19
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL300019906661	0	42	-1.0	-54.33	332.74	6.14	-48.19
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL300019906661	1	42	-1.0	-54.37	332.79	6.17	-48.20
O=C(C1COC2=C(Br)C=CC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906662	0	38	-1.0	-49.66	325.31	4.90	-44.76
O=C(C1COC2=C(Br)C=CC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906662	1	38	-1.0	-49.69	325.37	4.93	-44.76
CN1C=CC(N2C=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)=N1	REAL300019906663	0	37	-1.0	-63.17	318.67	5.70	-57.47
CN1C=CC(N2C=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)=N1	REAL300019906663	1	37	-1.0	-63.23	318.61	5.67	-57.56
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906664	0	37	-1.0	-52.68	313.37	5.67	-47.01
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906664	1	37	-1.0	-52.74	313.43	5.68	-47.06
CCCCC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL300019906665	0	38	-1.0	-52.60	325.09	4.46	-48.14
CCCCC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL300019906665	1	38	-1.0	-52.59	325.15	4.48	-48.11
O=C(CF)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906666	0	35	-1.0	-58.17	300.13	4.22	-53.95
O=C(CF)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906666	1	35	-1.0	-58.23	300.18	4.23	-54.00
CN(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL300019906667	0	39	-1.0	-54.03	336.26	4.16	-49.87
CN(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL300019906667	1	39	-1.0	-54.02	336.32	4.19	-49.83
CC1=CC=CC(C2=NOC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)=C1	REAL300019906668	0	39	-1.0	-48.20	331.84	5.55	-42.65
CC1=CC=CC(C2=NOC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)=C1	REAL300019906668	1	39	-1.0	-48.19	331.78	5.52	-42.67
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906669	0	36	-1.0	-46.30	327.17	5.40	-40.90
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906669	1	36	-1.0	-46.26	327.11	5.38	-40.88
O=C(C1=CC(C2=CC=CC=C2Cl)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906670	0	36	-1.0	-49.32	322.92	5.55	-43.77
O=C(C1=CC(C2=CC=CC=C2Cl)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906670	1	36	-1.0	-49.31	322.86	5.53	-43.78
COC(=O)[C@@H](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019906671	0	49	-1.0	-57.84	398.99	3.01	-54.83
COC(=O)[C@@H](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019906671	1	49	-1.0	-57.85	399.05	3.04	-54.81
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC12CC2	REAL300019906672	0	57	-1.0	-52.32	428.39	6.60	-45.72
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC12CC2	REAL300019906672	1	57	-1.0	-52.30	428.45	6.63	-45.67
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=C1	REAL300019906673	0	51	-1.0	-58.59	406.14	4.31	-54.28
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=C1	REAL300019906673	1	51	-1.0	-58.63	406.19	4.33	-54.30
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C12CC3CC(CC(O)(C3)C1)C2	REAL300019906674	0	45	-1.0	-60.83	320.73	2.02	-58.81
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL300019906674	1	45	-1.0	-60.79	320.78	2.03	-58.76
CC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL300019906675	0	47	-1.0	-70.05	369.29	4.74	-65.31
CC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL300019906675	1	47	-1.0	-70.11	369.35	4.76	-65.35
O=C(C1=CC2=NNC(=O)N2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906676	0	33	-1.0	-38.58	276.09	1.32	-37.26
O=C(C1=CC2=NNC(=O)N2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906676	1	33	-1.0	-38.67	276.17	1.32	-37.35
CC1=NSC(I)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906677	0	29	-1.0	-45.92	291.64	3.18	-42.74
CC1=NSC(I)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906677	1	29	-1.0	-45.94	291.70	3.19	-42.75
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019906678	0	40	-1.0	-50.32	340.76	5.75	-44.57
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019906678	1	40	-1.0	-50.33	340.81	5.77	-44.56
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=C(C)C=CC=C12	REAL300019906679	0	40	-1.0	-52.29	323.07	5.42	-46.87
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=C(C)C=CC=C12	REAL300019906679	1	40	-1.0	-52.35	323.01	5.40	-46.95
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019906680	0	41	-1.0	-54.23	332.72	5.67	-48.56
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019906680	1	41	-1.0	-54.23	332.78	5.69	-48.54
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300019906681	0	44	-1.0	-55.34	352.75	6.35	-48.99
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300019906681	1	44	-1.0	-55.39	352.81	6.37	-49.02
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906682	0	39	-1.0	-51.80	328.67	5.52	-46.28
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906682	1	39	-1.0	-51.78	328.62	5.50	-46.28
CC1(C)CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC(C)(C)O1	REAL300019906683	0	49	-1.0	-51.90	365.19	5.21	-46.69
CC1(C)CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC(C)(C)O1	REAL300019906683	1	49	-1.0	-51.90	365.24	5.23	-46.67
O=C(CC1CCN2C=NC=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906684	0	40	-1.0	-58.13	317.88	5.59	-52.54
O=C(CC1CCN2C=NC=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906684	1	40	-1.0	-58.14	317.93	5.62	-52.52
O=C(CCCCCN1C=NN=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906685	0	40	-1.0	-64.22	334.72	4.21	-60.01
O=C(CCCCCN1C=NN=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906685	1	40	-1.0	-64.23	334.66	4.19	-60.04
N#CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Br)=C1	REAL300019906686	0	37	-1.0	-53.31	337.63	6.29	-47.02
N#CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Br)=C1	REAL300019906686	1	37	-1.0	-53.38	337.69	6.31	-47.07
O=C(C1=CC=C2NC(=O)NCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906687	0	37	-1.0	-42.06	299.37	0.14	-41.92
O=C(C1=CC=C2NC(=O)NCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906687	1	37	-1.0	-42.08	299.43	0.14	-41.94
O=C(C(CC(F)(F)F)C1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906688	0	39	-1.0	-50.50	332.20	6.04	-44.46
O=C(C(CC(F)(F)F)C1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906688	1	39	-1.0	-50.54	332.26	6.06	-44.48
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL300019906689	0	36	-1.0	-60.98	309.73	4.24	-56.74
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL300019906689	1	36	-1.0	-61.03	309.67	4.21	-56.82
O=C(C1=COC2=C1CS(=O)(=O)C2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906690	0	34	-1.0	-60.19	300.23	-0.38	-60.57
O=C(C1=COC2=C1CS(=O)(=O)C2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906690	1	34	-1.0	-60.20	300.28	-0.36	-60.56
O=C(C1=CC=C(C2CCOC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906691	0	41	-1.0	-54.27	325.65	4.17	-50.10
O=C(C1=CC=C(C2CCOC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906691	1	41	-1.0	-54.25	325.71	4.20	-50.05
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CSC=C1Br	REAL300019906692	0	30	-1.0	-47.31	293.46	4.03	-43.28
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CSC=C1Br	REAL300019906692	1	30	-1.0	-47.28	293.52	4.06	-43.22
CN1C=C(C2=NOC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)C=N1	REAL300019906693	0	36	-1.0	-50.51	315.16	2.74	-47.77
CN1C=C(C2=NOC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)C=N1	REAL300019906693	1	36	-1.0	-50.52	315.11	2.71	-47.81
C=CCNC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906694	0	41	-1.0	-55.30	342.04	3.27	-52.03
C=CCNC(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906694	1	41	-1.0	-55.30	342.10	3.29	-52.01
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906695	0	39	-1.0	-48.26	325.13	4.79	-43.47
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906695	1	39	-1.0	-48.28	325.06	4.79	-43.49
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL300019906696	0	40	-1.0	-52.76	322.47	5.42	-47.34
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL300019906696	1	40	-1.0	-52.75	322.41	5.40	-47.35
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019906697	0	39	-1.0	-51.40	329.88	5.42	-45.98
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019906697	1	39	-1.0	-51.38	329.94	5.44	-45.94
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL300019906698	0	37	-1.0	-49.55	318.52	5.26	-44.29
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL300019906698	1	37	-1.0	-49.55	318.57	5.27	-44.28
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC(F)=CC=C21	REAL300019906699	0	37	-1.0	-49.65	308.27	4.84	-44.81
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC(F)=CC=C21	REAL300019906699	1	37	-1.0	-49.65	308.21	4.82	-44.83
O=C(C1=CC(Br)=CC(F)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906700	0	30	-1.0	-51.86	284.56	4.28	-47.58
O=C(C1=CC(Br)=CC(F)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906700	1	30	-1.0	-51.84	284.61	4.31	-47.53
O=C(C1=C2SN=CC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906701	0	32	-1.0	-61.70	282.79	3.74	-57.96
O=C(C1=C2SN=CC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906701	1	32	-1.0	-61.67	282.73	3.73	-57.94
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL300019906702	0	54	-1.0	-57.01	407.54	5.34	-51.67
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL300019906702	1	54	-1.0	-57.04	407.60	5.36	-51.68
CCC(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019906703	0	52	-1.0	-50.46	400.91	3.85	-46.61
CCC(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019906703	1	52	-1.0	-50.48	400.97	3.88	-46.60
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906704	0	33	-1.0	-52.65	293.66	4.99	-47.66
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906704	1	33	-1.0	-52.66	293.60	4.96	-47.70
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300019906705	0	43	-1.0	-46.40	347.34	7.32	-39.08
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300019906705	1	43	-1.0	-46.42	347.27	7.29	-39.13
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906706	0	50	-1.0	-60.82	396.51	3.73	-57.09
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906706	1	50	-1.0	-60.80	396.57	3.75	-57.05
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906707	0	43	-1.0	-53.41	344.93	7.68	-45.73
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906707	1	43	-1.0	-53.37	344.87	7.67	-45.70
O=C(C1=COC2=C(Br)C=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906708	0	33	-1.0	-53.15	302.98	4.69	-48.46
O=C(C1=COC2=C(Br)C=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906708	1	33	-1.0	-53.16	303.04	4.71	-48.45
COC1=CC(OC)=C(Cl)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906709	0	38	-1.0	-55.96	324.58	2.69	-53.27
COC1=CC(OC)=C(Cl)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906709	1	38	-1.0	-56.01	324.63	2.71	-53.30
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906710	0	40	-1.0	-52.29	343.82	7.24	-45.05
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906710	1	40	-1.0	-52.33	343.93	7.25	-45.08
O=C(C1CCCC2=C1N=CS2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906711	0	36	-1.0	-61.64	303.72	3.42	-58.22
O=C(C1CCCC2=C1N=CS2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906711	1	36	-1.0	-61.66	303.78	3.44	-58.22
CC1(C)CCC(F)(F)CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906712	0	42	-1.0	-47.81	314.84	4.93	-42.88
CC1(C)CCC(F)(F)CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906712	1	42	-1.0	-47.78	314.90	4.96	-42.82
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906713	0	42	-1.0	-54.56	351.40	7.19	-47.37
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906713	1	42	-1.0	-54.54	351.34	7.17	-47.37
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906714	0	40	-1.0	-38.85	333.00	5.87	-32.98
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906714	1	40	-1.0	-38.88	333.07	5.89	-32.99
O=C(C1=CN=C(C(F)(F)F)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906715	0	29	-1.0	-47.03	278.70	1.96	-45.07
O=C(C1=CN=C(C(F)(F)F)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906715	1	29	-1.0	-47.01	278.64	1.94	-45.07
COC1=CC=C2NN=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=C1	REAL300019906716	0	37	-1.0	-62.03	309.99	2.14	-59.89
COC1=CC=C2NN=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=C1	REAL300019906716	1	37	-1.0	-62.04	310.04	2.16	-59.88
COC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019906717	0	41	-1.0	-53.35	331.33	4.04	-49.31
COC1=CC=C2NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019906717	1	41	-1.0	-53.39	331.39	4.06	-49.33
O=C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CSC=C1Br	REAL300019906718	0	29	-1.0	-45.76	281.30	3.40	-42.36
O=C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CSC=C1Br	REAL300019906718	1	29	-1.0	-45.76	281.36	3.43	-42.33
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906719	0	39	-1.0	-47.66	329.36	6.11	-41.55
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906719	1	39	-1.0	-47.69	329.42	6.14	-41.55
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906720	0	40	-1.0	-54.30	334.04	3.39	-50.91
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906720	1	40	-1.0	-54.25	334.09	3.40	-50.85
O=C(C1=CSC(Br)=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906721	0	27	-1.0	-51.35	277.56	3.82	-47.53
O=C(C1=CSC(Br)=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906721	1	27	-1.0	-51.35	277.62	3.83	-47.52
CCN(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019906722	0	49	-1.0	-51.64	383.51	4.93	-46.71
CCN(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019906722	1	49	-1.0	-51.65	383.57	4.96	-46.69
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL300019906723	0	35	-1.0	-53.66	305.10	2.20	-51.46
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL300019906723	1	35	-1.0	-53.67	305.05	2.17	-51.50
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906724	0	36	-1.0	-45.15	307.74	5.04	-40.11
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906724	1	36	-1.0	-45.15	307.80	5.07	-40.08
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL300019906725	0	36	-1.0	-50.79	311.37	3.42	-47.37
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL300019906725	1	36	-1.0	-50.80	311.31	3.39	-47.41
O=C(CC1CCS(=O)(=O)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906726	0	39	-1.0	-56.42	317.67	0.97	-55.45
O=C(CC1CCS(=O)(=O)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906726	1	39	-1.0	-56.42	317.73	1.00	-55.42
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906727	0	35	-1.0	-58.90	301.59	-0.16	-59.06
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906727	1	35	-1.0	-58.89	301.65	-0.14	-59.03
COC1=CC(F)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Br	REAL300019906728	0	34	-1.0	-40.90	296.27	3.16	-37.74
COC1=CC(F)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Br	REAL300019906728	1	34	-1.0	-40.91	296.34	3.16	-37.75
O=C(C1=CC=CC(I)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906729	0	30	-1.0	-56.41	283.87	4.69	-51.72
O=C(C1=CC=CC(I)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906729	1	30	-1.0	-56.42	283.92	4.70	-51.72
CC(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1F	REAL300019906730	0	39	-1.0	-42.18	307.69	4.99	-37.19
CC(C)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1F	REAL300019906730	1	39	-1.0	-42.13	307.76	4.98	-37.15
CC(C)C1=CC=C(F)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906731	0	39	-1.0	-56.76	317.14	5.52	-51.24
CC(C)C1=CC=C(F)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906731	1	39	-1.0	-56.74	317.20	5.54	-51.20
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906732	0	36	-1.0	-59.37	302.24	5.87	-53.50
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906732	1	36	-1.0	-59.35	302.18	5.85	-53.50
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906733	0	36	-1.0	-41.04	304.03	4.70	-36.34
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906733	1	36	-1.0	-41.05	304.11	4.71	-36.34
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019906734	0	43	-1.0	-50.01	360.07	5.69	-44.32
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019906734	1	43	-1.0	-49.97	360.13	5.72	-44.25
COC(=O)C1=CSC2=C1NC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)=C2	REAL300019906735	0	37	-1.0	-54.52	329.77	3.77	-50.75
COC(=O)C1=CSC2=C1NC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)=C2	REAL300019906735	1	37	-1.0	-54.55	329.83	3.79	-50.76
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N2)S1	REAL300019906736	0	37	-1.0	-51.33	330.03	3.91	-47.42
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N2)S1	REAL300019906736	1	37	-1.0	-51.31	330.08	3.92	-47.39
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906737	0	53	-1.0	-55.29	427.15	5.12	-50.17
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906737	1	53	-1.0	-55.31	427.20	5.15	-50.16
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906738	0	53	-1.0	-53.68	406.26	3.89	-49.79
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906738	1	53	-1.0	-53.73	406.31	3.91	-49.82
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906739	0	46	-1.0	-55.42	371.94	2.20	-53.22
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906739	1	46	-1.0	-55.41	371.99	2.22	-53.19
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906740	0	40	-1.0	-57.98	331.41	3.25	-54.73
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906740	1	40	-1.0	-57.97	331.47	3.28	-54.69
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906741	0	44	-1.0	-57.50	348.06	7.21	-50.29
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906741	1	44	-1.0	-57.51	348.11	7.22	-50.29
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906742	0	44	-1.0	-55.82	348.21	7.22	-48.60
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906742	1	44	-1.0	-55.81	348.27	7.24	-48.57
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906743	0	44	-1.0	-59.75	370.42	5.38	-54.37
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906743	1	44	-1.0	-59.79	370.48	5.41	-54.38
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906744	0	43	-1.0	-52.92	355.81	3.20	-49.72
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906744	1	43	-1.0	-52.93	355.87	3.22	-49.71
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906745	0	39	-1.0	-49.96	329.44	6.13	-43.83
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906745	1	39	-1.0	-49.99	329.50	6.14	-43.85
CN1C(=O)N(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1C1CC1	REAL300019906746	0	40	-1.0	-67.00	340.14	4.41	-62.59
CN1C(=O)N(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1C1CC1	REAL300019906746	1	40	-1.0	-66.99	340.20	4.43	-62.56
CCN1C(C)=NN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL300019906747	0	39	-1.0	-69.05	330.68	3.88	-65.17
CCN1C(C)=NN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL300019906747	1	39	-1.0	-69.08	330.74	3.90	-65.18
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906748	0	44	-1.0	-53.32	360.40	7.85	-45.47
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906748	1	44	-1.0	-53.31	360.45	7.88	-45.43
CC1=CC(Cl)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Br	REAL300019906749	0	33	-1.0	-38.28	293.31	4.86	-33.42
CC1=CC(Cl)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Br	REAL300019906749	1	33	-1.0	-38.29	293.37	4.86	-33.43
NS(=O)(=O)C1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906750	0	32	-1.0	-60.60	297.80	-2.51	-63.11
NS(=O)(=O)C1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906750	1	32	-1.0	-60.60	297.86	-2.49	-63.09
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906751	0	35	-1.0	-62.67	297.47	0.98	-61.69
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906751	1	35	-1.0	-62.69	297.53	1.01	-61.68
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906752	0	44	-1.0	-67.96	365.57	5.66	-62.30
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906752	1	44	-1.0	-67.95	365.63	5.68	-62.27
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906753	0	42	-1.0	-66.25	360.57	7.04	-59.21
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906753	1	42	-1.0	-66.29	360.62	7.05	-59.24
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906754	0	50	-1.0	-45.96	384.10	1.38	-44.58
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906754	1	50	-1.0	-45.99	384.16	1.39	-44.60
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019906755	0	53	-1.0	-50.72	403.72	2.35	-48.37
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019906755	1	53	-1.0	-50.72	403.66	2.33	-48.39
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)OC(C)(C)C1	REAL300019906756	0	57	-1.0	-57.63	433.36	5.76	-51.87
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)OC(C)(C)C1	REAL300019906756	1	57	-1.0	-57.63	433.41	5.79	-51.84
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019906757	0	53	-1.0	-62.20	401.81	4.99	-57.21
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019906757	1	53	-1.0	-62.19	401.87	5.01	-57.18
CCC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)N1	REAL300019906758	0	42	-1.0	-59.65	328.13	2.80	-56.85
CCC(C)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)N1	REAL300019906758	1	42	-1.0	-59.65	328.20	2.79	-56.86
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906759	0	52	-1.0	-56.63	398.19	8.02	-48.61
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906759	1	52	-1.0	-56.65	398.24	8.04	-48.61
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906760	0	40	-1.0	-55.40	337.28	6.10	-49.30
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906760	1	40	-1.0	-55.44	337.34	6.13	-49.31
O=C(C1COC2=CC=C(Br)C=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906761	0	38	-1.0	-48.21	331.22	5.03	-43.18
O=C(C1COC2=CC=C(Br)C=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906761	1	38	-1.0	-48.20	331.27	5.04	-43.16
CC1=CC=C(OC(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=C1	REAL300019906762	0	43	-1.0	-57.13	343.42	6.37	-50.76
CC1=CC=C(OC(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=C1	REAL300019906762	1	43	-1.0	-57.13	343.48	6.38	-50.75
O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906763	0	43	-1.0	-59.38	351.32	0.25	-59.13
O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906763	1	43	-1.0	-59.37	351.38	0.27	-59.10
O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906764	0	36	-1.0	-54.39	312.33	6.33	-48.06
O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906764	1	36	-1.0	-54.38	312.28	6.31	-48.07
O=C(CC1CCC2=CC(Br)=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906765	0	40	-1.0	-56.08	338.03	7.06	-49.02
O=C(CC1CCC2=CC(Br)=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906765	1	40	-1.0	-56.04	338.09	7.08	-48.96
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906766	0	39	-1.0	-52.27	326.55	5.21	-47.06
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906766	1	39	-1.0	-52.27	326.49	5.18	-47.09
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906767	0	28	-1.0	-47.75	291.35	2.33	-45.42
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906767	1	28	-1.0	-47.74	291.29	2.31	-45.43
COC(=O)C1=COC2=C1NC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)=C2	REAL300019906768	0	37	-1.0	-55.19	321.15	2.92	-52.27
COC(=O)C1=COC2=C1NC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)=C2	REAL300019906768	1	37	-1.0	-55.24	321.21	2.93	-52.31
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NC2=C1	REAL300019906769	0	43	-1.0	-51.68	359.46	5.35	-46.33
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NC2=C1	REAL300019906769	1	43	-1.0	-51.67	359.51	5.37	-46.30
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL300019906770	0	35	-1.0	-56.83	312.48	3.15	-53.68
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL300019906770	1	35	-1.0	-56.81	312.54	3.16	-53.65
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906771	0	41	-1.0	-58.14	340.16	6.40	-51.74
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906771	1	41	-1.0	-58.11	340.21	6.41	-51.70
COC(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1C	REAL300019906772	0	39	-1.0	-53.89	320.72	4.84	-49.05
COC(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1C	REAL300019906772	1	39	-1.0	-53.91	320.78	4.86	-49.05
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906773	0	43	-1.0	-56.72	356.00	6.10	-50.62
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906773	1	43	-1.0	-56.71	356.05	6.13	-50.58
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906774	0	37	-1.0	-42.84	310.03	5.48	-37.36
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906774	1	37	-1.0	-42.86	310.10	5.48	-37.38
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906775	0	37	-1.0	-58.08	306.52	4.49	-53.59
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906775	1	37	-1.0	-58.06	306.58	4.51	-53.55
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906776	0	36	-1.0	-49.15	312.99	4.34	-44.81
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906776	1	36	-1.0	-49.15	313.06	4.36	-44.79
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906777	0	33	-1.0	-58.91	297.74	5.01	-53.90
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906777	1	33	-1.0	-58.95	297.68	4.99	-53.96
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL300019906778	0	56	-1.0	-48.88	419.01	5.79	-43.09
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL300019906778	1	56	-1.0	-48.90	419.07	5.81	-43.09
O=C(CCCCC1CSSC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906779	0	41	-1.0	-55.17	346.99	7.14	-48.03
O=C(CCCCC1CSSC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906779	1	41	-1.0	-55.17	347.04	7.17	-48.00
CNC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906780	0	42	-1.0	-62.07	327.24	1.76	-60.31
CNC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906780	1	42	-1.0	-62.05	327.29	1.78	-60.27
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906781	0	35	-1.0	-43.81	295.75	3.89	-39.92
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906781	1	35	-1.0	-43.77	295.68	3.87	-39.90
CC1=CC2=CC=CN=C2C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906782	0	38	-1.0	-48.50	300.57	4.61	-43.89
CC1=CC2=CC=CN=C2C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906782	1	38	-1.0	-48.47	300.53	4.63	-43.84
O=C(CC1=CC(Br)=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906783	0	30	-1.0	-51.38	290.96	4.40	-46.98
O=C(CC1=CC(Br)=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906783	1	30	-1.0	-51.42	291.02	4.43	-46.99
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906784	0	41	-1.0	-53.81	356.44	7.94	-45.87
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906784	1	41	-1.0	-53.82	356.49	7.96	-45.86
COC1(C2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)COC1	REAL300019906785	0	42	-1.0	-58.65	330.80	2.96	-55.69
COC1(C2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)COC1	REAL300019906785	1	42	-1.0	-58.63	330.86	2.98	-55.65
COCCN1C=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C21	REAL300019906786	0	44	-1.0	-59.12	360.22	5.26	-53.86
COCCN1C=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C21	REAL300019906786	1	44	-1.0	-59.09	360.27	5.27	-53.82
CC(C)N1C=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C21	REAL300019906787	0	43	-1.0	-59.97	344.70	6.68	-53.29
CC(C)N1C=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C21	REAL300019906787	1	43	-1.0	-59.93	344.64	6.67	-53.26
CCC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC(F)(F)F	REAL300019906788	0	38	-1.0	-53.92	304.23	4.47	-49.45
CCC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC(F)(F)F	REAL300019906788	1	38	-1.0	-53.93	304.29	4.49	-49.44
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906789	0	36	-1.0	-49.43	320.92	4.87	-44.56
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906789	1	36	-1.0	-49.45	320.86	4.84	-44.61
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906790	0	36	-1.0	-49.28	331.24	5.32	-43.96
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906790	1	36	-1.0	-49.29	331.18	5.29	-44.00
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906791	0	36	-1.0	-49.88	331.25	5.30	-44.58
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906791	1	36	-1.0	-49.86	331.19	5.28	-44.58
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCC[C@H]3C3=N[N-]N=N3)N2C)C=C1	REAL300019906792	0	49	-1.0	-57.99	400.17	7.83	-50.16
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCC[C@H]3C3=NN=N[N-]3)N2C)C=C1	REAL300019906792	1	49	-1.0	-58.00	400.23	7.85	-50.15
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC(F)=CC(F)=C21	REAL300019906793	0	37	-1.0	-49.35	312.57	4.83	-44.52
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC(F)=CC(F)=C21	REAL300019906793	1	37	-1.0	-49.43	312.62	4.84	-44.59
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906794	0	49	-1.0	-57.11	396.50	3.18	-53.93
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906794	1	49	-1.0	-57.10	396.56	3.20	-53.90
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906795	0	53	-1.0	-52.91	401.74	3.71	-49.20
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906795	1	53	-1.0	-52.96	401.80	3.74	-49.22
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906796	0	30	-1.0	-36.47	271.35	3.66	-32.81
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906796	1	30	-1.0	-36.52	271.42	3.66	-32.86
COC(=O)CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906797	0	39	-1.0	-43.51	321.29	4.47	-39.04
COC(=O)CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906797	1	39	-1.0	-43.50	321.35	4.47	-39.03
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906798	0	56	-1.0	-52.92	428.11	2.60	-50.32
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906798	1	56	-1.0	-52.89	428.17	2.62	-50.27
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906799	0	57	-1.0	-49.61	425.14	3.32	-46.29
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906799	1	57	-1.0	-49.63	425.20	3.33	-46.30
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(F)C(F)=C1F	REAL300019906800	0	32	-1.0	-44.68	281.51	1.87	-42.81
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(F)C(F)=C1F	REAL300019906800	1	32	-1.0	-44.70	281.57	1.89	-42.81
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906801	0	53	-1.0	-65.09	402.04	5.60	-59.49
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906801	1	53	-1.0	-65.08	402.10	5.63	-59.45
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906802	0	47	-1.0	-72.00	363.30	4.34	-67.66
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906802	1	47	-1.0	-71.99	363.36	4.36	-67.63
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906803	0	55	-1.0	-47.25	390.28	5.46	-41.79
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906803	1	55	-1.0	-47.23	390.31	5.47	-41.76
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906804	0	56	-1.0	-58.89	430.16	3.66	-55.23
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906804	1	56	-1.0	-58.88	430.22	3.69	-55.19
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC(F)(F)C1	REAL300019906805	0	50	-1.0	-48.14	390.84	4.71	-43.43
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC(F)(F)C1	REAL300019906805	1	50	-1.0	-48.11	390.90	4.74	-43.37
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2C1	REAL300019906806	0	54	-1.0	-45.34	404.51	6.18	-39.16
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2C1	REAL300019906806	1	54	-1.0	-45.40	404.57	6.17	-39.23
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CO1	REAL300019906807	0	46	-1.0	-51.04	379.03	-0.16	-51.20
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CO1	REAL300019906807	1	46	-1.0	-51.06	379.09	-0.13	-51.19
CN(C)C1=CC=C(Br)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906808	0	38	-1.0	-53.77	323.01	4.57	-49.20
CN(C)C1=CC=C(Br)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906808	1	38	-1.0	-53.76	323.07	4.59	-49.17
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906809	0	40	-1.0	-54.06	325.65	1.59	-52.47
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906809	1	40	-1.0	-54.07	325.72	1.60	-52.47
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906810	0	31	-1.0	-51.24	285.66	2.75	-48.49
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906810	1	31	-1.0	-51.23	285.72	2.77	-48.46
CC(C)C1=CNC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=NC2=C1	REAL300019906811	0	42	-1.0	-69.91	341.43	4.45	-65.46
CC(C)C1=CNC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=NC2=C1	REAL300019906811	1	42	-1.0	-69.92	341.49	4.47	-65.45
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906812	0	36	-1.0	-52.73	322.96	3.81	-48.92
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906812	1	36	-1.0	-52.76	323.01	3.83	-48.93
O=C(C1=C(Br)SC2=C1SN=N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906813	0	28	-1.0	-46.74	295.77	2.42	-44.32
O=C(C1=C(Br)SC2=C1SN=N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906813	1	28	-1.0	-46.72	295.72	2.39	-44.33
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906814	0	32	-1.0	-71.04	297.48	3.02	-68.02
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906814	1	32	-1.0	-71.03	297.54	3.05	-67.98
CC(C)(C)OC(=O)NC1CCCN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL300019906815	0	54	-1.0	-70.75	423.09	2.88	-67.87
CC(C)(C)OC(=O)NC1CCCN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL300019906815	1	54	-1.0	-70.76	423.15	2.91	-67.85
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2(CCCC2)C1	REAL300019906816	0	57	-1.0	-56.19	414.79	5.95	-50.24
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2(CCCC2)C1	REAL300019906816	1	57	-1.0	-56.17	414.84	5.97	-50.20
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906817	0	53	-1.0	-49.76	412.18	1.99	-47.77
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906817	1	53	-1.0	-49.77	412.24	2.01	-47.76
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300019906818	0	54	-1.0	-56.78	412.17	6.84	-49.94
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300019906818	1	54	-1.0	-56.78	412.22	6.85	-49.93
C#CCC1(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300019906819	0	52	-1.0	-64.12	403.54	5.17	-58.95
C#CCC1(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300019906819	1	52	-1.0	-64.11	403.60	5.19	-58.92
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906820	0	52	-1.0	-56.86	400.11	5.42	-51.44
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906820	1	52	-1.0	-56.84	400.16	5.44	-51.40
CCOC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1N	REAL300019906821	0	39	-1.0	-49.00	334.97	2.61	-46.39
CCOC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1N	REAL300019906821	1	39	-1.0	-48.96	335.02	2.63	-46.33
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906822	0	54	-1.0	-51.22	413.62	5.45	-45.77
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906822	1	54	-1.0	-51.24	413.68	5.48	-45.76
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906823	0	37	-1.0	-55.35	324.51	6.47	-48.88
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906823	1	37	-1.0	-55.34	324.56	6.50	-48.84
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906824	0	50	-1.0	-52.61	387.73	2.71	-49.90
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906824	1	50	-1.0	-52.65	387.79	2.74	-49.91
C=CCN(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019906825	0	50	-1.0	-57.72	400.35	5.62	-52.10
C=CCN(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019906825	1	50	-1.0	-57.71	400.41	5.64	-52.07
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906826	0	53	-1.0	-63.48	405.40	5.29	-58.19
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906826	1	53	-1.0	-63.44	405.45	5.31	-58.13
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL300019906827	0	39	-1.0	-53.02	313.05	6.40	-46.62
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL300019906827	1	39	-1.0	-53.01	313.00	6.38	-46.63
COC1=CC=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019906828	0	39	-1.0	-53.33	327.10	2.22	-51.11
COC1=CC=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019906828	1	39	-1.0	-53.36	327.16	2.25	-51.11
CN1N=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=C1CCOC2	REAL300019906829	0	38	-1.0	-59.19	308.84	1.92	-57.27
CN1N=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=C1CCOC2	REAL300019906829	1	38	-1.0	-59.20	308.90	1.95	-57.25
CN1C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC2=C1C=CS2	REAL300019906830	0	34	-1.0	-52.02	292.25	4.29	-47.73
CN1C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC2=C1C=CS2	REAL300019906830	1	34	-1.0	-51.98	292.19	4.27	-47.71
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1CC(F)F	REAL300019906831	0	36	-1.0	-52.93	304.83	2.96	-49.97
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1CC(F)F	REAL300019906831	1	36	-1.0	-52.90	304.89	2.98	-49.92
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C1CCC1	REAL300019906832	0	40	-1.0	-52.54	318.59	4.07	-48.47
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C1CCC1	REAL300019906832	1	40	-1.0	-52.55	318.64	4.09	-48.46
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CO1	REAL300019906833	0	51	-1.0	-64.12	396.88	1.38	-62.74
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CO1	REAL300019906833	1	51	-1.0	-64.15	396.94	1.40	-62.75
NC1=CC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(Br)C=C1[N+](=O)[O-]	REAL300019906834	0	37	-1.0	-50.09	335.51	3.88	-46.21
NC1=CC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(Br)C=C1[N+](=O)[O-]	REAL300019906834	1	37	-1.0	-50.09	335.57	3.91	-46.18
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906835	0	50	-1.0	-52.14	387.57	1.14	-51.00
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906835	1	50	-1.0	-52.17	387.52	1.11	-51.06
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906836	0	53	-1.0	-58.89	404.45	5.58	-53.31
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906836	1	53	-1.0	-58.90	404.50	5.61	-53.29
COC1(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019906837	0	48	-1.0	-59.62	378.80	2.35	-57.27
COC1(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019906837	1	48	-1.0	-59.61	378.86	2.38	-57.23
CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC2(CCC2)C1	REAL300019906838	0	57	-1.0	-49.13	429.57	4.96	-44.17
CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300019906838	1	57	-1.0	-49.17	429.63	4.97	-44.20
CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CC(C)(C)C1	REAL300019906839	0	56	-1.0	-49.69	420.51	4.19	-45.50
CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC(C)(C)C1	REAL300019906839	1	56	-1.0	-49.70	420.56	4.20	-45.50
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906840	0	57	-1.0	-56.03	424.39	4.66	-51.37
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906840	1	57	-1.0	-56.05	424.44	4.68	-51.37
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906841	0	54	-1.0	-63.41	402.79	1.12	-62.29
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906841	1	54	-1.0	-63.42	402.85	1.13	-62.29
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2C1C2(F)F	REAL300019906842	0	51	-1.0	-53.31	397.28	5.26	-48.05
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2C1C2(F)F	REAL300019906842	1	51	-1.0	-53.31	397.33	5.29	-48.02
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906843	0	56	-1.0	-53.80	418.89	4.36	-49.44
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906843	1	56	-1.0	-53.78	418.94	4.38	-49.40
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=C1	REAL300019906844	0	46	-1.0	-57.14	382.85	3.52	-53.62
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=C1	REAL300019906844	1	46	-1.0	-57.14	382.91	3.54	-53.60
COC1=NN(C)C(Br)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906845	0	34	-1.0	-56.53	315.19	0.10	-56.43
COC1=NN(C)C(Br)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906845	1	34	-1.0	-56.51	315.14	0.07	-56.44
CC(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL300019906846	0	37	-1.0	-49.98	304.98	2.12	-47.86
CC(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL300019906846	1	37	-1.0	-49.99	305.03	2.13	-47.86
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906847	0	54	-1.0	-55.11	420.95	2.16	-52.95
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906847	1	54	-1.0	-55.13	421.01	2.19	-52.94
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906848	0	33	-1.0	-54.22	300.82	3.88	-50.34
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906848	1	33	-1.0	-54.23	300.87	3.90	-50.33
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)CC1	REAL300019906849	0	43	-1.0	-62.01	351.92	2.74	-59.27
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)CC1	REAL300019906849	1	43	-1.0	-62.01	351.98	2.77	-59.24
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)SC2=C(C)S1	REAL300019906850	0	36	-1.0	-53.48	324.06	5.61	-47.87
CC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)SC2=C(C)S1	REAL300019906850	1	36	-1.0	-53.46	324.12	5.63	-47.83
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906851	0	33	-1.0	-37.73	312.36	5.51	-32.22
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906851	1	33	-1.0	-37.75	312.42	5.50	-32.25
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL300019906852	0	42	-1.0	-59.88	325.61	1.06	-58.82
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL300019906852	1	42	-1.0	-59.87	325.66	1.08	-58.79
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906853	0	37	-1.0	-56.62	318.92	6.17	-50.45
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906853	1	37	-1.0	-56.62	318.97	6.20	-50.42
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C3=O	REAL300019906854	0	46	-1.0	-65.59	374.61	6.64	-58.95
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C3=O	REAL300019906854	1	46	-1.0	-65.55	374.67	6.66	-58.89
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)=C2	REAL300019906855	0	44	-1.0	-63.13	362.94	5.58	-57.55
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)=C2	REAL300019906855	1	44	-1.0	-63.14	362.99	5.60	-57.54
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906856	0	38	-1.0	-64.55	325.96	4.59	-59.96
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906856	1	38	-1.0	-64.56	326.02	4.61	-59.95
COC1=CC2=NC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2C=C1	REAL300019906857	0	39	-1.0	-52.34	319.58	3.23	-49.11
COC1=CC2=NC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2C=C1	REAL300019906857	1	39	-1.0	-52.31	319.52	3.21	-49.10
CCSC1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906858	0	43	-1.0	-58.33	332.55	5.70	-52.63
CCSC1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906858	1	43	-1.0	-58.36	332.60	5.72	-52.64
CC1=CC(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(C)=N1	REAL300019906859	0	41	-1.0	-51.65	338.75	4.93	-46.72
CC1=CC(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(C)=N1	REAL300019906859	1	41	-1.0	-51.64	338.81	4.95	-46.69
CC1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2C=C1	REAL300019906860	0	39	-1.0	-54.51	319.18	6.49	-48.02
CC1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2C=C1	REAL300019906860	1	39	-1.0	-54.52	319.13	6.46	-48.06
O=C(C1=CSC(Cl)=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906861	0	27	-1.0	-51.71	273.15	3.72	-47.99
O=C(C1=CSC(Cl)=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906861	1	27	-1.0	-51.69	273.21	3.73	-47.96
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906862	0	42	-1.0	-55.59	343.84	2.99	-52.60
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906862	1	42	-1.0	-55.56	343.89	3.01	-52.55
CC1=NN(C2CCC2)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906863	0	40	-1.0	-55.12	318.44	3.97	-51.15
CC1=NN(C2CCC2)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906863	1	40	-1.0	-55.11	318.50	3.98	-51.13
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906864	0	37	-1.0	-53.26	316.65	4.82	-48.44
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906864	1	37	-1.0	-53.26	316.59	4.81	-48.45
O=C(C1=CNC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906865	0	28	-1.0	-60.26	256.19	2.10	-58.16
O=C(C1=CNC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906865	1	28	-1.0	-60.33	256.24	2.11	-58.22
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906866	0	40	-1.0	-59.95	352.44	3.63	-56.32
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906866	1	40	-1.0	-59.97	352.50	3.66	-56.31
O=C(C1CC(OC(F)(F)F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906867	0	34	-1.0	-50.20	297.12	2.46	-47.74
O=C(C1CC(OC(F)(F)F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906867	1	34	-1.0	-50.18	297.17	2.48	-47.70
CS(=O)(=O)C1=COC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906868	0	33	-1.0	-61.77	298.93	-0.53	-62.30
CS(=O)(=O)C1=COC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906868	1	33	-1.0	-61.77	298.98	-0.50	-62.27
O=C(CC1=CC=C2COCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906869	0	41	-1.0	-55.50	332.98	4.75	-50.75
O=C(CC1=CC=C2COCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906869	1	41	-1.0	-55.52	333.04	4.78	-50.74
O=C(CC1=CC=C2CCOCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906870	0	41	-1.0	-54.88	332.98	4.75	-50.13
O=C(CC1=CC=C2CCOCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906870	1	41	-1.0	-54.91	333.04	4.78	-50.13
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906871	0	39	-1.0	-43.38	320.95	4.67	-38.71
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906871	1	39	-1.0	-43.41	320.89	4.67	-38.74
CC1=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1Br	REAL300019906872	0	32	-1.0	-49.62	288.22	3.83	-45.79
CC1=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1Br	REAL300019906872	1	32	-1.0	-49.63	288.28	3.85	-45.78
COC1=CC(Br)=CN=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906873	0	33	-1.0	-54.14	297.38	3.93	-50.21
COC1=CC(Br)=CN=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906873	1	33	-1.0	-54.10	297.32	3.90	-50.20
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906874	0	39	-1.0	-63.35	333.94	1.20	-62.15
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906874	1	39	-1.0	-63.34	334.00	1.23	-62.11
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906875	0	37	-1.0	-55.19	315.26	4.82	-50.37
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906875	1	37	-1.0	-55.21	315.31	4.85	-50.36
CCC1=CC=C(N2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)N=N2)C=C1	REAL300019906876	0	42	-1.0	-50.45	351.77	5.35	-45.10
CCC1=CC=C(N2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)N=N2)C=C1	REAL300019906876	1	42	-1.0	-50.44	351.71	5.32	-45.12
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906877	0	45	-1.0	-46.89	374.94	2.46	-44.43
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906877	1	45	-1.0	-46.90	375.01	2.45	-44.45
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906878	0	45	-1.0	-42.64	375.12	2.52	-40.12
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906878	1	45	-1.0	-42.70	375.19	2.52	-40.18
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906879	0	35	-2.0	-89.86	308.21	1.67	-88.19
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906879	1	35	-2.0	-89.88	308.28	1.67	-88.21
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906880	0	40	-1.0	-54.85	353.43	6.15	-48.70
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906880	1	40	-1.0	-54.85	353.37	6.13	-48.72
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906881	0	51	-1.0	-53.18	385.51	8.29	-44.89
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906881	1	51	-1.0	-53.17	385.57	8.30	-44.87
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906882	0	41	-1.0	-48.93	337.68	5.40	-43.53
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906882	1	41	-1.0	-48.91	337.74	5.41	-43.50
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906883	0	38	-1.0	-42.25	317.61	3.14	-39.11
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906883	1	38	-1.0	-42.25	317.67	3.14	-39.11
CC1(C)CCC(=O)C2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL300019906884	0	45	-1.0	-56.90	349.23	5.97	-50.93
CC1(C)CCC(=O)C2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL300019906884	1	45	-1.0	-56.88	349.28	5.99	-50.89
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906885	0	32	-1.0	-48.91	304.90	3.84	-45.07
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906885	1	32	-1.0	-48.89	304.84	3.83	-45.06
O=C(C1CCC(=O)N(C2CC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906886	0	41	-1.0	-51.27	325.21	3.56	-47.71
O=C(C1CCC(=O)N(C2CC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906886	1	41	-1.0	-51.29	325.26	3.58	-47.71
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906887	0	46	-1.0	-54.12	363.26	3.50	-50.62
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906887	1	46	-1.0	-54.16	363.32	3.53	-50.63
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906888	0	43	-1.0	-56.24	350.76	5.13	-51.11
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906888	1	43	-1.0	-56.25	350.82	5.16	-51.09
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906889	0	37	-1.0	-54.66	327.12	6.43	-48.23
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906889	1	37	-1.0	-54.69	327.18	6.46	-48.23
N#CC1=CN=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906890	0	30	-1.0	-37.25	272.80	2.00	-35.25
N#CC1=CN=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906890	1	30	-1.0	-37.22	272.75	2.00	-35.22
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906891	0	40	-1.0	-55.21	329.33	3.20	-52.01
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906891	1	40	-1.0	-55.22	329.39	3.22	-52.00
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1Cl	REAL300019906892	0	36	-1.0	-39.62	306.68	5.04	-34.58
CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1Cl	REAL300019906892	1	36	-1.0	-39.60	306.72	5.04	-34.56
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906893	0	44	-1.0	-50.75	346.05	3.49	-47.26
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906893	1	44	-1.0	-50.74	346.00	3.46	-47.28
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906894	0	32	-1.0	-49.43	303.53	4.87	-44.56
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906894	1	32	-1.0	-49.43	303.47	4.84	-44.59
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906895	0	33	-1.0	-53.61	299.32	4.51	-49.10
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906895	1	33	-1.0	-53.60	299.37	4.54	-49.06
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906896	0	32	-1.0	-58.51	296.72	3.54	-54.97
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906896	1	32	-1.0	-58.53	296.66	3.51	-55.02
N#CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(F)=C1	REAL300019906897	0	37	-1.0	-54.85	327.05	5.89	-48.96
N#CC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(F)=C1	REAL300019906897	1	37	-1.0	-54.88	327.10	5.92	-48.96
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906898	0	36	-1.0	-55.18	307.67	0.85	-54.33
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906898	1	36	-1.0	-55.17	307.73	0.87	-54.30
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906899	0	38	-1.0	-52.05	316.11	5.60	-46.45
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906899	1	38	-1.0	-52.07	316.17	5.61	-46.46
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906900	0	40	-1.0	-57.71	335.95	6.80	-50.91
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906900	1	40	-1.0	-57.71	336.01	6.82	-50.89
COCCN1C=CC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL300019906901	0	44	-1.0	-46.09	353.53	4.73	-41.36
COCCN1C=CC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL300019906901	1	44	-1.0	-46.11	353.58	4.71	-41.40
CC(C)N1C=CC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C21	REAL300019906902	0	43	-1.0	-46.35	337.88	6.15	-40.20
CC(C)N1C=CC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C21	REAL300019906902	1	43	-1.0	-46.35	337.95	6.15	-40.20
O=C(C=CC1=CC=C2OCOC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906903	0	37	-1.0	-55.34	314.25	3.82	-51.52
O=C(C=CC1=CC=C2OCOC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906903	1	37	-1.0	-55.28	314.31	3.85	-51.43
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1Cl	REAL300019906904	0	37	-1.0	-55.73	360.72	6.95	-48.78
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1Cl	REAL300019906904	1	37	-1.0	-55.69	360.78	6.97	-48.72
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906905	0	35	-1.0	-55.77	311.46	4.58	-51.19
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906905	1	35	-1.0	-55.73	311.40	4.55	-51.18
C=CCOCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)(C)C	REAL300019906906	0	46	-1.0	-48.97	346.45	5.08	-43.89
C=CCOCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)(C)C	REAL300019906906	1	46	-1.0	-48.95	346.51	5.11	-43.84
CC12CCCN1S(=O)(=O)C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL300019906907	0	42	-1.0	-66.98	338.08	0.22	-66.76
CC12CCCN1S(=O)(=O)C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL300019906907	1	42	-1.0	-66.94	338.14	0.24	-66.70
CC1=NN(C2CCC2)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906908	0	40	-1.0	-52.07	318.94	4.17	-47.90
CC1=NN(C2CCC2)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906908	1	40	-1.0	-52.07	319.01	4.18	-47.89
O=C(C1=CC=NN1CCC(F)(F)F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906909	0	36	-1.0	-50.94	310.80	3.38	-47.56
O=C(C1=CC=NN1CCC(F)(F)F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906909	1	36	-1.0	-50.97	310.74	3.37	-47.60
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906910	0	41	-1.0	-55.49	350.12	5.89	-49.60
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906910	1	41	-1.0	-55.49	350.18	5.91	-49.58
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906911	0	36	-1.0	-47.15	325.92	2.88	-44.27
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906911	1	36	-1.0	-47.13	325.98	2.91	-44.22
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906912	0	34	-1.0	-55.25	310.50	5.70	-49.55
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906912	1	34	-1.0	-55.27	310.56	5.72	-49.55
CC(=O)NC(COC(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906913	0	43	-1.0	-56.86	343.69	1.84	-55.02
CC(=O)NC(COC(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906913	1	43	-1.0	-56.85	343.75	1.86	-54.99
CCCCOC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906914	0	47	-1.0	-53.63	382.52	6.98	-46.65
CCCCOC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906914	1	47	-1.0	-53.65	382.57	7.00	-46.65
COC1=CC2=CC=C(CC(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2C=C1	REAL300019906915	0	43	-1.0	-55.25	354.73	6.22	-49.03
COC1=CC2=CC=C(CC(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2C=C1	REAL300019906915	1	43	-1.0	-55.27	354.78	6.24	-49.03
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906916	0	48	-1.0	-51.74	358.42	7.29	-44.45
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906916	1	48	-1.0	-51.78	358.48	7.31	-44.47
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906917	0	30	-1.0	-36.21	277.74	3.78	-32.43
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906917	1	30	-1.0	-36.30	277.81	3.77	-32.53
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906918	0	36	-1.0	-54.66	315.80	4.61	-50.05
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906918	1	36	-1.0	-54.68	315.86	4.64	-50.04
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906919	0	35	-1.0	-50.56	295.40	5.05	-45.51
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906919	1	35	-1.0	-50.56	295.34	5.02	-45.54
COC(=O)C1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019906920	0	39	-1.0	-54.08	338.83	3.99	-50.09
COC(=O)C1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019906920	1	39	-1.0	-54.12	338.89	4.02	-50.10
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906921	0	39	-1.0	-51.74	335.08	6.17	-45.57
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906921	1	39	-1.0	-51.75	335.14	6.20	-45.55
CC(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300019906922	0	39	-1.0	-53.37	326.76	6.02	-47.35
CC(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300019906922	1	39	-1.0	-53.39	326.82	6.05	-47.34
CC(C)(C)N1C=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019906923	0	42	-1.0	-57.63	342.11	4.50	-53.13
CC(C)(C)N1C=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019906923	1	42	-1.0	-57.59	342.05	4.48	-53.11
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906924	0	37	-1.0	-61.74	315.86	3.65	-58.09
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906924	1	37	-1.0	-61.77	315.91	3.67	-58.10
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906925	0	30	-2.0	-104.54	269.60	3.25	-101.29
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906925	1	30	-2.0	-104.53	269.67	3.25	-101.28
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300019906926	0	38	-1.0	-57.38	331.66	2.83	-54.55
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300019906926	1	38	-1.0	-57.34	331.72	2.85	-54.49
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906927	0	39	-1.0	-55.47	344.00	4.78	-50.69
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906927	1	39	-1.0	-55.46	343.94	4.76	-50.70
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906928	0	33	-1.0	-41.63	287.06	3.50	-38.13
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906928	1	33	-1.0	-41.56	287.08	3.49	-38.07
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906929	0	40	-1.0	-56.18	328.40	4.58	-51.60
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906929	1	40	-1.0	-56.17	328.46	4.61	-51.56
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906930	0	42	-1.0	-52.95	352.55	2.37	-50.58
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906930	1	42	-1.0	-52.91	352.61	2.39	-50.52
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906931	0	43	-1.0	-56.03	362.40	6.16	-49.87
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906931	1	43	-1.0	-56.01	362.46	6.19	-49.82
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906932	0	51	-1.0	-58.08	398.65	3.72	-54.36
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906932	1	51	-1.0	-58.07	398.71	3.75	-54.32
CC1=NNC2=C1CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC2	REAL300019906933	0	40	-1.0	-55.42	315.14	2.97	-52.45
CC1=NNC2=C1CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC2	REAL300019906933	1	40	-1.0	-55.45	315.19	2.99	-52.46
CC1=C2CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CCC2=NN1	REAL300019906933	1	40	-1.0	-53.90	319.82	3.14	-50.76
O=C(C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906934	0	48	-1.0	-40.34	391.46	6.11	-34.23
O=C(C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906934	1	48	-1.0	-40.34	391.40	6.13	-34.21
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906935	0	41	-1.0	-54.83	339.10	3.86	-50.97
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906935	1	41	-1.0	-54.82	339.15	3.88	-50.94
CSC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019906936	0	36	-1.0	-49.14	314.49	5.09	-44.05
CSC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019906936	1	36	-1.0	-49.18	314.55	5.11	-44.07
NS(=O)(=O)C1=COC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906937	0	32	-1.0	-59.55	292.38	-3.09	-62.64
NS(=O)(=O)C1=COC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906937	1	32	-1.0	-59.56	292.44	-3.06	-62.62
N#CC1=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=NN2C=C1	REAL300019906938	0	34	-1.0	-58.84	297.86	3.75	-55.09
N#CC1=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=NN2C=C1	REAL300019906938	1	34	-1.0	-58.82	297.80	3.74	-55.08
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906939	0	40	-1.0	-52.11	340.73	4.94	-47.17
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906939	1	40	-1.0	-52.16	340.79	4.96	-47.20
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906940	0	44	-1.0	-63.96	353.52	2.62	-61.34
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906940	1	44	-1.0	-63.98	353.57	2.64	-61.34
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906941	0	34	-1.0	-47.20	303.59	2.80	-44.40
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906941	1	34	-1.0	-47.22	303.65	2.81	-44.41
C[C@@H]1CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NN=C2[C@H](C)O1	REAL300019906942	0	41	-1.0	-51.05	326.68	2.00	-49.05
C[C@@H]1CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NN=C2[C@H](C)O1	REAL300019906942	1	41	-1.0	-51.09	326.74	2.01	-49.08
C[C@@H]1CC2=C(NN=C2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)[C@H](C)O1	REAL300019906942	1	41	-1.0	-55.97	329.49	2.11	-53.86
C[C@@H]1CC2=C(NN=C2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)[C@H](C)O1	REAL300019906942	1	41	-1.0	-55.98	329.54	2.13	-53.85
O=C(CCC1=C(Br)C=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906943	0	33	-1.0	-50.02	310.33	5.11	-44.91
O=C(CCC1=C(Br)C=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906943	1	33	-1.0	-50.02	310.39	5.13	-44.89
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906944	0	36	-1.0	-55.66	322.60	4.79	-50.87
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906944	1	36	-1.0	-55.69	322.66	4.81	-50.88
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906944	1	36	-1.0	-58.18	322.48	4.78	-53.40
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906944	1	36	-1.0	-58.20	322.54	4.81	-53.39
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906945	0	51	-1.0	-61.11	390.53	6.79	-54.32
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906945	1	51	-1.0	-61.10	390.59	6.81	-54.29
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906946	0	38	-1.0	-67.82	323.03	5.31	-62.51
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906946	1	38	-1.0	-67.84	323.08	5.33	-62.51
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906947	0	37	-1.0	-40.65	305.03	5.25	-35.40
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906947	1	37	-1.0	-40.64	305.09	5.25	-35.39
O=C(CCCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)NC1=CC=CC=C1	REAL300019906948	0	49	-1.0	-63.91	398.63	6.08	-57.83
O=C(CCCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)NC1=CC=CC=C1	REAL300019906948	1	49	-1.0	-63.90	398.69	6.11	-57.79
O=C(C1=C2C=NSC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906949	0	32	-1.0	-54.57	280.77	3.64	-50.93
O=C(C1=C2C=NSC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906949	1	32	-1.0	-54.57	280.72	3.61	-50.96
CS(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(Cl)=C1	REAL300019906950	0	36	-1.0	-42.75	318.26	1.12	-41.63
CS(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(Cl)=C1	REAL300019906950	1	36	-1.0	-42.78	318.32	1.13	-41.65
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C(F)C(Br)=C1F	REAL300019906951	0	32	-1.0	-44.62	295.20	2.39	-42.23
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C(F)C(Br)=C1F	REAL300019906951	1	32	-1.0	-44.61	295.26	2.41	-42.20
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NO1	REAL300019906952	0	46	-1.0	-51.07	378.85	2.08	-48.99
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NO1	REAL300019906952	1	46	-1.0	-51.04	378.91	2.11	-48.93
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906953	0	35	-1.0	-49.40	308.65	4.67	-44.73
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906953	1	35	-1.0	-49.43	308.71	4.70	-44.73
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906954	0	52	-1.0	-58.14	409.28	1.41	-56.73
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906954	1	52	-1.0	-58.16	409.34	1.43	-56.73
CN(C)C1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2C=C1	REAL300019906955	0	44	-1.0	-55.55	349.11	6.18	-49.37
CN(C)C1=CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2C=C1	REAL300019906955	1	44	-1.0	-55.56	349.17	6.21	-49.35
COC1(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019906956	0	51	-1.0	-63.63	401.64	2.91	-60.72
COC1(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019906956	1	51	-1.0	-63.64	401.70	2.94	-60.70
C#CC1=CC=C(C2CC2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906957	0	39	-1.0	-58.43	325.47	7.10	-51.33
C#CC1=CC=C(C2CC2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906957	1	39	-1.0	-58.41	325.53	7.13	-51.28
CN1N=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300019906958	0	42	-1.0	-52.39	344.70	4.67	-47.72
CN1N=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300019906958	1	42	-1.0	-52.36	344.76	4.69	-47.67
COC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(OC)=C1OC	REAL300019906959	0	46	-1.0	-58.77	382.15	4.44	-54.33
COC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(OC)=C1OC	REAL300019906959	1	46	-1.0	-58.79	382.21	4.46	-54.33
O=C(C1=C2C(=O)NCCN2N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906960	0	35	-1.0	-68.03	288.32	0.35	-67.68
O=C(C1=C2C(=O)NCCN2N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906960	1	35	-1.0	-68.00	288.26	0.33	-67.67
CC=CC1=CC=C(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(OC)=C1	REAL300019906961	0	45	-1.0	-61.49	370.17	6.32	-55.17
CC=CC1=CC=C(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(OC)=C1	REAL300019906961	1	45	-1.0	-61.49	370.23	6.34	-55.15
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019906962	0	54	-1.0	-56.04	415.18	3.80	-52.24
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019906962	1	54	-1.0	-56.03	415.24	3.82	-52.21
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906963	0	54	-1.0	-56.75	397.25	5.22	-51.53
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906963	1	54	-1.0	-56.76	397.31	5.25	-51.51
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906964	0	37	-1.0	-41.19	302.17	1.87	-39.32
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906964	1	37	-1.0	-41.18	302.21	1.86	-39.32
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906965	0	47	-1.0	-52.59	362.40	6.31	-46.28
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906965	1	47	-1.0	-52.63	362.45	6.33	-46.30
CC1=NN=C(CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)O1	REAL300019906966	0	41	-1.0	-45.43	339.17	0.42	-45.01
CC1=NN=C(CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)O1	REAL300019906966	1	41	-1.0	-45.46	339.24	0.41	-45.05
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2)CC1	REAL300019906967	0	57	-1.0	-64.00	419.87	6.22	-57.78
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2)CC1	REAL300019906967	1	57	-1.0	-64.06	419.94	6.25	-57.81
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906968	0	36	-1.0	-57.39	316.19	6.32	-51.07
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906968	1	36	-1.0	-57.31	316.25	6.34	-50.97
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906969	0	42	-1.0	-51.31	355.55	7.59	-43.72
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906969	1	42	-1.0	-51.30	355.61	7.60	-43.70
CC1=CC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL300019906970	0	38	-1.0	-55.74	319.63	4.70	-51.04
CC1=CC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL300019906970	1	38	-1.0	-55.71	319.57	4.67	-51.04
CC(C)(C)OC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906971	0	43	-1.0	-51.13	352.51	5.29	-45.84
CC(C)(C)OC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906971	1	43	-1.0	-51.11	352.56	5.30	-45.81
CN1C=C(C2=NC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CO2)C=N1	REAL300019906972	0	36	-1.0	-54.22	315.45	0.91	-53.31
CN1C=C(C2=NC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CO2)C=N1	REAL300019906972	1	36	-1.0	-54.27	315.39	0.88	-53.39
COC1=C2C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)NC2=C(C)C=C1	REAL300019906973	0	41	-1.0	-56.58	334.22	4.02	-52.56
COC1=C2C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)NC2=C(C)C=C1	REAL300019906973	1	41	-1.0	-56.54	334.28	4.03	-52.51
CCCCOC1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019906974	0	46	-1.0	-53.95	373.61	6.47	-47.48
CCCCOC1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019906974	1	46	-1.0	-53.99	373.66	6.50	-47.49
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019906975	0	47	-1.0	-61.95	388.99	2.82	-59.13
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019906975	1	47	-1.0	-61.98	389.05	2.84	-59.14
COC1=NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2C=C1	REAL300019906976	0	39	-1.0	-52.69	324.99	2.44	-50.25
COC1=NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2C=C1	REAL300019906976	1	39	-1.0	-52.72	324.93	2.42	-50.30
CC1=CN2C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN=C2S1	REAL300019906977	0	33	-1.0	-55.35	289.01	3.95	-51.40
CC1=CN2C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN=C2S1	REAL300019906977	1	33	-1.0	-55.37	288.95	3.93	-51.44
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906978	0	40	-1.0	-52.94	348.63	4.96	-47.98
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906978	1	40	-1.0	-52.97	348.69	4.99	-47.98
O=C(C1=CC(Cl)=C(Cl)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906979	0	27	-1.0	-47.78	275.28	3.70	-44.08
O=C(C1=CC(Cl)=C(Cl)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906979	1	27	-1.0	-47.80	275.35	3.72	-44.08
CC(C)(C)C1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906980	0	41	-1.0	-54.88	325.38	5.11	-49.77
CC(C)(C)C1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906980	1	41	-1.0	-54.88	325.32	5.08	-49.80
COC1CC2(C1)CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC2	REAL300019906981	0	47	-1.0	-55.58	353.46	4.53	-51.05
COC1CC2(C1)CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC2	REAL300019906981	1	47	-1.0	-55.60	353.52	4.56	-51.04
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906982	0	48	-1.0	-55.09	372.53	7.81	-47.28
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906982	1	48	-1.0	-55.07	372.59	7.83	-47.24
CCC(C)(C)C1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019906983	0	51	-1.0	-52.24	353.13	6.33	-45.91
CCC(C)(C)C1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019906983	1	51	-1.0	-52.27	353.20	6.34	-45.93
CC1=CC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN=C2C=C1	REAL300019906984	0	38	-1.0	-54.17	313.40	4.62	-49.55
CC1=CC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CN=C2C=C1	REAL300019906984	1	38	-1.0	-54.18	313.34	4.59	-49.59
CN1C=C(C2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=NO2)N=N1	REAL300019906985	0	35	-1.0	-58.49	309.25	1.79	-56.70
CN1C=C(C2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=NO2)N=N1	REAL300019906985	1	35	-1.0	-58.52	309.31	1.82	-56.70
O=C(C1CCC2(CC(=O)C2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906986	0	42	-1.0	-58.79	328.25	4.87	-53.92
O=C(C1CCC2(CC(=O)C2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906986	1	42	-1.0	-58.79	328.31	4.89	-53.90
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906987	0	37	-1.0	-44.52	300.05	2.78	-41.74
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906987	1	37	-1.0	-44.49	300.12	2.78	-41.71
CCC(CCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906988	0	45	-1.0	-55.18	350.59	7.05	-48.13
CCC(CCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906988	1	45	-1.0	-55.18	350.64	7.06	-48.12
COC1(C(F)(F)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCC1	REAL300019906989	0	40	-1.0	-49.75	310.51	3.70	-46.05
COC1(C(F)(F)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCC1	REAL300019906989	1	40	-1.0	-49.72	310.56	3.73	-45.99
O=C(CCC1=CC=C2CCOCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906990	0	44	-1.0	-52.56	354.35	5.56	-47.00
O=C(CCC1=CC=C2CCOCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906990	1	44	-1.0	-52.54	354.41	5.59	-46.95
O=C(C1CC12CCC(F)(F)CC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906991	0	40	-1.0	-53.38	318.52	5.66	-47.72
O=C(C1CC12CCC(F)(F)CC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906991	1	40	-1.0	-53.40	318.58	5.68	-47.72
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N=C1Br	REAL300019906992	0	32	-1.0	-51.16	288.26	3.81	-47.35
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N=C1Br	REAL300019906992	1	32	-1.0	-51.11	288.20	3.78	-47.33
CN(C)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019906993	0	40	-1.0	-49.31	331.44	4.84	-44.47
CN(C)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019906993	1	40	-1.0	-49.32	331.49	4.86	-44.46
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906994	0	34	-1.0	-50.55	302.01	3.43	-47.12
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906994	1	34	-1.0	-50.60	301.95	3.41	-47.19
COC(=O)C1=CSC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906995	0	33	-1.0	-58.97	297.41	3.12	-55.85
COC(=O)C1=CSC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906995	1	33	-1.0	-59.00	297.47	3.15	-55.85
CC(C)(C)C1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019906996	0	41	-1.0	-51.57	322.22	4.03	-47.54
CC(C)(C)C1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019906996	1	41	-1.0	-51.59	322.16	4.00	-47.59
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906997	0	38	-1.0	-51.65	338.68	5.62	-46.03
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906997	1	38	-1.0	-51.63	338.73	5.64	-45.99
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=NN21	REAL300019906998	0	44	-1.0	-63.34	350.04	5.00	-58.34
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=NN21	REAL300019906998	1	44	-1.0	-63.35	349.98	4.98	-58.37
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906999	0	41	-1.0	-57.72	330.52	5.28	-52.44
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906999	1	41	-1.0	-57.71	330.58	5.31	-52.40
O=C(CCC1=CC=CC(Br)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907000	0	36	-1.0	-55.45	326.81	6.12	-49.33
O=C(CCC1=CC=CC(Br)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907000	1	36	-1.0	-55.47	326.86	6.14	-49.33
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300019907001	0	36	-1.0	-60.01	313.49	2.86	-57.15
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300019907001	1	36	-1.0	-60.03	313.55	2.89	-57.14
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907002	0	41	-1.0	-65.63	329.52	2.74	-62.89
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907002	1	41	-1.0	-65.62	329.57	2.76	-62.86
CCC1=CC=C(C(=O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019907003	0	35	-1.0	-47.40	307.26	4.45	-42.95
CCC1=CC=C(C(=O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019907003	1	35	-1.0	-47.43	307.32	4.47	-42.96
COC1=CC(Br)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL300019907004	0	34	-1.0	-41.35	296.08	3.04	-38.31
COC1=CC(Br)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL300019907004	1	34	-1.0	-41.40	296.15	3.04	-38.36
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907005	0	48	-1.0	-52.70	377.02	3.26	-49.44
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907005	1	48	-1.0	-52.64	377.08	3.28	-49.36
O=C(C1=CC(C2CCCC2)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907006	0	40	-1.0	-49.97	316.23	3.56	-46.41
O=C(C1=CC(C2CCCC2)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907006	1	40	-1.0	-50.01	316.28	3.57	-46.44
CC1(C)OC2=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300019907007	0	42	-1.0	-54.49	341.15	2.11	-52.38
CC1(C)OC2=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300019907007	1	42	-1.0	-54.50	341.20	2.14	-52.36
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907008	0	38	-1.0	-53.13	309.37	2.74	-50.39
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907008	1	38	-1.0	-53.13	309.43	2.76	-50.37
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL300019907009	0	38	-1.0	-56.65	326.46	2.53	-54.12
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL300019907009	1	38	-1.0	-56.67	326.51	2.55	-54.12
COC(=O)C1=CC=CC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C12	REAL300019907010	0	42	-1.0	-53.51	344.67	6.29	-47.22
COC(=O)C1=CC=CC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C12	REAL300019907010	1	42	-1.0	-53.54	344.62	6.27	-47.27
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907011	0	37	-1.0	-48.52	303.37	0.15	-48.37
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907011	1	37	-1.0	-48.55	303.43	0.17	-48.38
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NC=C1C(F)F	REAL300019907012	0	35	-1.0	-54.15	298.50	4.15	-50.00
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NC=C1C(F)F	REAL300019907012	1	35	-1.0	-54.17	298.56	4.17	-50.00
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907013	0	38	-1.0	-62.86	319.62	1.87	-60.99
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907013	1	38	-1.0	-62.83	319.67	1.88	-60.95
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019907014	0	39	-1.0	-51.93	319.52	1.63	-50.30
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019907014	1	39	-1.0	-51.95	319.46	1.60	-50.35
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907015	0	34	-1.0	-53.20	305.48	3.62	-49.58
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907015	1	34	-1.0	-53.18	305.42	3.60	-49.58
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907016	0	50	-1.0	-52.45	395.18	1.52	-50.93
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907016	1	50	-1.0	-52.48	395.24	1.54	-50.94
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2)C1	REAL300019907017	0	57	-1.0	-65.37	428.10	6.49	-58.88
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2)C1	REAL300019907017	1	57	-1.0	-65.40	428.15	6.51	-58.89
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907018	0	53	-1.0	-60.37	403.25	5.19	-55.18
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907018	1	53	-1.0	-60.37	403.31	5.22	-55.15
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907019	0	57	-1.0	-55.48	424.07	6.70	-48.78
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907019	1	57	-1.0	-55.49	424.12	6.73	-48.76
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907020	0	50	-1.0	-52.93	385.68	2.93	-50.00
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907020	1	50	-1.0	-52.92	385.73	2.95	-49.97
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907021	0	51	-1.0	-57.83	403.08	4.13	-53.70
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907021	1	51	-1.0	-57.85	403.14	4.15	-53.70
COC1=CC=CC=C1OC(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907022	0	41	-1.0	-62.27	332.48	4.77	-57.50
COC1=CC=CC=C1OC(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907022	1	41	-1.0	-62.28	332.54	4.79	-57.49
CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300019907023	0	44	-1.0	-61.44	353.43	2.02	-59.42
CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300019907023	1	44	-1.0	-61.46	353.48	2.04	-59.42
CCC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL300019907024	0	39	-1.0	-51.75	341.21	5.61	-46.14
CCC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300019907024	1	39	-1.0	-51.77	341.26	5.62	-46.15
O=C(C1CCC(C2CCCO2)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907025	0	42	-1.0	-56.86	329.45	3.18	-53.68
O=C(C1CCC(C2CCCO2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907025	1	42	-1.0	-56.86	329.51	3.20	-53.66
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907026	0	33	-1.0	-50.82	305.18	4.95	-45.87
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907026	1	33	-1.0	-50.82	305.24	4.96	-45.86
CC1=CC(F)=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019907027	0	35	-1.0	-43.00	295.33	4.39	-38.61
CC1=CC(F)=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019907027	1	35	-1.0	-43.01	295.39	4.38	-38.63
O=C(C1=CN=C2OCCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907028	0	37	-1.0	-46.94	293.52	0.40	-46.54
O=C(C1=CN=C2OCCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907028	1	37	-1.0	-46.95	293.45	0.42	-46.53
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907029	0	35	-1.0	-47.41	305.63	3.10	-44.31
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907029	1	35	-1.0	-47.42	305.68	3.12	-44.30
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL300019907030	0	39	-1.0	-46.23	330.24	6.20	-40.03
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300019907030	1	39	-1.0	-46.25	330.30	6.23	-40.02
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)S2)S1	REAL300019907031	0	33	-1.0	-52.78	301.19	4.88	-47.90
CC1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)S2)S1	REAL300019907031	1	33	-1.0	-52.81	301.25	4.90	-47.91
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907032	0	41	-1.0	-53.38	349.10	0.23	-53.15
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907032	1	41	-1.0	-53.39	349.16	0.26	-53.13
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907033	0	36	-1.0	-49.56	327.83	5.98	-43.58
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907033	1	36	-1.0	-49.54	327.89	6.00	-43.54
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907034	0	43	-1.0	-52.48	365.55	7.58	-44.90
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907034	1	43	-1.0	-52.47	365.61	7.60	-44.87
CON(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019907035	0	47	-1.0	-51.02	378.19	4.05	-46.97
CON(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019907035	1	47	-1.0	-51.00	378.24	4.08	-46.92
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907036	0	32	-1.0	-49.99	292.95	1.41	-48.58
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907036	1	32	-1.0	-49.94	293.00	1.44	-48.50
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019907037	0	43	-1.0	-50.13	352.17	2.47	-47.66
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019907037	1	43	-1.0	-50.12	352.23	2.49	-47.63
COC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C(F)C=N1	REAL300019907038	0	35	-1.0	-52.05	307.94	2.50	-49.55
COC(=O)C1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C(F)C=N1	REAL300019907038	1	35	-1.0	-52.07	307.88	2.49	-49.58
O=C(C1=C2SC=CC2=CN=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907039	0	32	-1.0	-46.21	274.92	2.58	-43.63
O=C(C1=C2SC=CC2=CN=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907039	1	32	-1.0	-46.20	274.86	2.57	-43.63
CC(C)OCC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907040	0	46	-1.0	-55.54	370.66	6.16	-49.38
CC(C)OCC1=CC=CC=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907040	1	46	-1.0	-55.54	370.72	6.18	-49.36
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907041	0	37	-1.0	-53.39	334.91	6.75	-46.64
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907041	1	37	-1.0	-53.40	334.96	6.78	-46.62
O=C(C1CC(C2=CC=CC(Br)=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907042	0	38	-1.0	-57.37	342.90	5.89	-51.48
O=C(C1CC(C2=CC=CC(Br)=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907042	1	38	-1.0	-57.37	342.96	5.91	-51.46
O=C(CN1C=C(I)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907043	0	30	-1.0	-55.50	287.74	3.16	-52.34
O=C(CN1C=C(I)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907043	1	30	-1.0	-55.49	287.68	3.14	-52.35
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907044	0	33	-1.0	-51.74	296.21	4.52	-47.22
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907044	1	33	-1.0	-51.76	296.16	4.49	-47.27
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907045	0	36	-1.0	-55.06	307.92	2.34	-52.72
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907045	1	36	-1.0	-55.09	307.98	2.36	-52.73
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907046	0	40	-1.0	-59.08	337.74	0.01	-59.07
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907046	1	40	-1.0	-59.09	337.68	-0.01	-59.10
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907047	0	30	-1.0	-42.57	285.94	0.80	-41.77
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907047	1	30	-1.0	-42.54	285.89	0.79	-41.75
COC1=C(Cl)C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=NC=CC=C21	REAL300019907048	0	39	-1.0	-57.95	340.52	4.28	-53.67
COC1=C(Cl)C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=NC=CC=C21	REAL300019907048	1	39	-1.0	-57.96	340.46	4.26	-53.70
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907049	0	45	-1.0	-52.06	371.20	4.09	-47.97
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907049	1	45	-1.0	-52.09	371.15	4.07	-48.02
CC1CN(CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)CCO1	REAL300019907202	0	49	-1.0	-41.60	374.35	2.71	-38.89
CC1CN(CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)CCO1	REAL300019907202	1	49	-1.0	-41.59	374.41	2.69	-38.90
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)CCO1	REAL300019907202	1	50	0.0	-80.64	383.89	5.72	-74.92
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)CCO1	REAL300019907202	1	50	0.0	-82.31	376.51	5.65	-76.66
CCNC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019907203	0	45	-1.0	-60.14	350.03	2.65	-57.49
CCNC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019907203	1	45	-1.0	-60.17	350.09	2.66	-57.51
COC1=CC([C@@H](C)CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1C	REAL300019907204	0	46	-1.0	-52.97	363.66	5.94	-47.03
COC1=CC([C@@H](C)CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1C	REAL300019907204	1	46	-1.0	-52.94	363.71	5.97	-46.97
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907205	0	42	-1.0	-54.81	341.96	5.24	-49.57
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907205	1	42	-1.0	-54.79	342.02	5.26	-49.53
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907206	0	46	-1.0	-52.03	365.39	5.53	-46.50
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907206	1	46	-1.0	-52.03	365.45	5.56	-46.47
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019907207	0	46	-1.0	-53.08	369.15	6.26	-46.82
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019907207	1	46	-1.0	-53.06	369.10	6.24	-46.82
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907208	0	44	-1.0	-54.82	366.76	7.22	-47.60
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907208	1	44	-1.0	-54.78	366.70	7.19	-47.59
O=C(C1CC2CCCCCCC21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907209	0	46	-1.0	-53.03	331.55	6.28	-46.75
O=C(C1CC2CCCCCCC21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907209	1	46	-1.0	-53.05	331.61	6.30	-46.75
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1(C)C	REAL300019907210	0	53	-1.0	-52.40	394.55	4.92	-47.48
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1(C)C	REAL300019907210	1	53	-1.0	-52.41	394.61	4.94	-47.47
O=C(C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907211	0	39	-1.0	-50.99	350.79	3.21	-47.78
O=C(C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907211	1	39	-1.0	-50.93	350.73	3.18	-47.75
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OCC1(C)C	REAL300019907212	0	54	-1.0	-53.91	404.86	4.60	-49.31
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OCC1(C)C	REAL300019907212	1	54	-1.0	-53.95	404.91	4.62	-49.33
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C2	REAL300019907213	0	52	-1.0	-63.19	398.68	7.34	-55.85
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C2	REAL300019907213	1	52	-1.0	-63.19	398.74	7.36	-55.83
O=C(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300019907214	0	35	-1.0	-48.96	333.36	5.12	-43.84
O=C(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300019907214	1	35	-1.0	-48.97	333.42	5.15	-43.82
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907215	0	36	-1.0	-48.64	322.07	3.71	-44.93
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907215	1	36	-1.0	-48.63	322.13	3.72	-44.91
CC(C)CC1=NC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019907216	0	40	-1.0	-49.63	324.62	4.42	-45.21
CC(C)CC1=NC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019907216	1	40	-1.0	-49.64	324.68	4.44	-45.20
CN1C=C(Br)C(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019907217	0	34	-1.0	-59.86	315.67	1.68	-58.18
CN1C=C(Br)C(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019907217	1	34	-1.0	-59.87	315.62	1.65	-58.22
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907218	0	32	-1.0	-62.46	292.39	3.50	-58.96
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907218	1	32	-1.0	-62.45	292.33	3.48	-58.97
CC(C)(C)OC(=O)NC(CCC1=CNN=C1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907219	0	53	-1.0	-54.10	417.98	2.22	-51.88
CC(C)(C)OC(=O)NC(CCC1=CNN=C1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907219	1	53	-1.0	-54.05	417.92	2.20	-51.85
CC(C)(C)OC(=O)N1CCC2=NC=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2C1	REAL300019907220	0	53	-1.0	-60.78	409.47	4.92	-55.86
CC(C)(C)OC(=O)N1CCC2=NC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2C1	REAL300019907220	1	53	-1.0	-60.75	409.53	4.94	-55.81
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907221	0	50	-1.0	-55.55	397.65	3.38	-52.17
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907221	1	50	-1.0	-55.57	397.71	3.41	-52.16
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907222	0	52	-1.0	-51.23	392.40	1.55	-49.68
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907222	1	52	-1.0	-51.23	392.46	1.57	-49.66
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907223	0	56	-1.0	-52.25	419.52	5.48	-46.77
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907223	1	56	-1.0	-52.28	419.58	5.50	-46.78
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907224	0	50	-1.0	-53.43	398.72	3.43	-50.00
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907224	1	50	-1.0	-53.45	398.78	3.46	-49.99
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)OCC12CCC2	REAL300019907225	0	55	-1.0	-53.95	410.69	4.75	-49.20
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)OCC12CCC2	REAL300019907225	1	55	-1.0	-54.00	410.75	4.78	-49.22
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C[C@H]12	REAL300019907226	0	48	-1.0	-57.27	382.83	3.37	-53.90
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C[C@H]12	REAL300019907226	1	48	-1.0	-57.23	382.88	3.39	-53.84
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C(C)C	REAL300019907227	0	42	-1.0	-61.47	324.49	5.15	-56.32
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C(C)C	REAL300019907227	1	42	-1.0	-61.40	324.50	5.16	-56.24
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907228	0	33	-1.0	-57.69	301.42	5.52	-52.17
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907228	1	33	-1.0	-57.71	301.37	5.49	-52.22
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)C1	REAL300019907229	0	50	-1.0	-50.74	405.24	4.04	-46.70
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)C1	REAL300019907229	1	50	-1.0	-50.75	405.30	4.07	-46.68
O=C(CC1=CC=C(Br)C(Cl)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907230	0	33	-1.0	-50.82	320.27	5.78	-45.04
O=C(CC1=CC=C(Br)C(Cl)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907230	1	33	-1.0	-50.81	320.33	5.80	-45.01
COCCN1C=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1=O	REAL300019907231	0	40	-1.0	-66.26	338.08	2.66	-63.60
COCCN1C=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1=O	REAL300019907231	1	40	-1.0	-66.25	338.14	2.67	-63.58
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907232	0	38	-1.0	-59.82	309.31	3.11	-56.71
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907232	1	38	-1.0	-59.83	309.37	3.13	-56.70
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907233	0	33	-1.0	-59.76	311.72	3.86	-55.90
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907233	1	33	-1.0	-59.71	311.67	3.84	-55.87
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907234	0	36	-1.0	-44.91	307.74	5.05	-39.86
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907234	1	36	-1.0	-44.92	307.80	5.08	-39.84
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907235	0	40	-1.0	-67.70	327.31	4.50	-63.20
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907235	1	40	-1.0	-67.66	327.36	4.51	-63.15
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907236	0	35	-1.0	-66.24	315.39	4.75	-61.49
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907236	1	35	-1.0	-66.25	315.33	4.73	-61.52
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019907237	0	33	-1.0	-48.81	296.59	4.68	-44.13
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019907237	1	33	-1.0	-48.85	296.65	4.70	-44.15
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019907238	0	33	-1.0	-56.01	297.76	4.66	-51.35
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019907238	1	33	-1.0	-56.03	297.82	4.68	-51.35
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907239	0	39	-1.0	-49.74	317.24	5.69	-44.05
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907239	1	39	-1.0	-49.76	317.30	5.72	-44.04
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907240	0	41	-1.0	-66.05	338.81	5.08	-60.97
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907240	1	41	-1.0	-66.02	338.75	5.05	-60.97
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907241	0	41	-1.0	-59.27	323.12	3.23	-56.04
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907241	1	41	-1.0	-59.29	323.18	3.25	-56.04
CC(C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1=O	REAL300019907242	0	47	-1.0	-51.04	376.71	6.29	-44.75
CC(C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1=O	REAL300019907242	1	47	-1.0	-51.04	376.77	6.32	-44.72
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907243	0	32	-1.0	-50.91	300.18	3.44	-47.47
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907243	1	32	-1.0	-50.92	300.12	3.41	-47.51
COC1=C2NC=C(CC(=O)N3CCC[C@H]3C3=N[N-]N=N3)C2=CC=C1	REAL300019907244	0	41	-1.0	-59.34	340.69	4.00	-55.34
COC1=C2NC=C(CC(=O)N3CCC[C@H]3C3=NN=N[N-]3)C2=CC=C1	REAL300019907244	1	41	-1.0	-59.34	340.75	4.03	-55.31
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907245	0	34	-1.0	-49.54	306.98	4.63	-44.91
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907245	1	34	-1.0	-49.51	307.04	4.65	-44.86
COC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C)=C1	REAL300019907246	0	42	-1.0	-56.15	350.79	5.80	-50.35
COC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C)=C1	REAL300019907246	1	42	-1.0	-56.14	350.85	5.82	-50.32
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907247	0	37	-1.0	-38.20	302.16	1.87	-36.33
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907247	1	37	-1.0	-38.20	302.21	1.86	-36.34
CC1=C(Br)C(=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN1C	REAL300019907248	0	36	-1.0	-66.65	319.87	4.04	-62.61
CC1=C(Br)C(=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN1C	REAL300019907248	1	36	-1.0	-66.62	319.93	4.06	-62.56
O=C(C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907249	0	40	-1.0	-60.25	348.47	6.52	-53.73
O=C(C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907249	1	40	-1.0	-60.26	348.53	6.53	-53.73
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019907250	0	39	-1.0	-70.86	329.33	1.05	-69.81
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019907250	1	39	-1.0	-70.92	329.38	1.08	-69.84
O=C(C1=CC2=C(Br)C=CC(F)=C2N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907251	0	34	-1.0	-50.93	310.94	4.73	-46.20
O=C(C1=CC2=C(Br)C=CC(F)=C2N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907251	1	34	-1.0	-50.92	310.99	4.74	-46.18
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300019907252	0	47	-1.0	-53.17	375.92	8.18	-44.99
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300019907252	1	47	-1.0	-53.16	375.98	8.19	-44.97
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC2=C1CCCC2	REAL300019907253	0	41	-1.0	-54.35	318.80	5.03	-49.32
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)NC2=C1CCCC2	REAL300019907253	1	41	-1.0	-54.32	318.86	5.04	-49.28
O=C(C1=CC(CC2CCC2)=CN1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907254	0	41	-1.0	-55.56	329.10	5.49	-50.07
O=C(C1=CC(CC2CCC2)=CN1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907254	1	41	-1.0	-55.63	329.15	5.50	-50.13
COC(=O)C1=CSC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019907255	0	36	-1.0	-58.39	325.69	4.46	-53.93
COC(=O)C1=CSC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019907255	1	36	-1.0	-58.42	325.75	4.48	-53.94
COC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1F	REAL300019907256	0	39	-1.0	-59.22	338.63	5.36	-53.86
COC(=O)C1=CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1F	REAL300019907256	1	39	-1.0	-59.25	338.69	5.38	-53.87
C[C@H]1C(=O)N(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)[C@H]1C	REAL300019907257	0	39	-1.0	-59.84	320.50	2.72	-57.12
C[C@H]1C(=O)N(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)[C@H]1C	REAL300019907257	1	39	-1.0	-59.86	320.56	2.74	-57.12
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1=O	REAL300019907258	0	47	-1.0	-54.18	379.53	6.36	-47.82
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1=O	REAL300019907258	1	47	-1.0	-54.16	379.58	6.39	-47.77
O=C(C1CCC2(CNC(=O)C2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907259	0	44	-1.0	-63.28	332.30	1.78	-61.50
O=C(C1CCC2(CNC(=O)C2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907259	1	44	-1.0	-63.29	332.35	1.80	-61.49
COC(=O)C1=C2CCCCC2=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019907260	0	43	-1.0	-50.20	353.84	5.74	-44.46
COC(=O)C1=C2CCCCC2=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019907260	1	43	-1.0	-50.27	353.90	5.76	-44.51
O=C(C1CC(C2CCOCC2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907261	0	42	-1.0	-63.14	334.14	3.10	-60.04
O=C(C1CC(C2CCOCC2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907261	1	42	-1.0	-63.13	334.19	3.12	-60.01
O=C(C1CC(CC2=CC=CC=C2)=NO1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907262	0	41	-1.0	-60.66	344.13	6.14	-54.52
O=C(C1CC(CC2=CC=CC=C2)=NO1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907262	1	41	-1.0	-60.69	344.19	6.16	-54.53
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)SC2=N1	REAL300019907263	0	46	-1.0	-54.03	375.15	3.86	-50.17
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)SC2=N1	REAL300019907263	1	46	-1.0	-54.02	375.21	3.88	-50.14
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1=O	REAL300019907264	0	47	-1.0	-56.65	379.54	6.42	-50.23
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1=O	REAL300019907264	1	47	-1.0	-56.67	379.59	6.45	-50.22
O=C(C1=C2NC(=O)COC2=CC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907265	0	36	-1.0	-53.36	320.94	1.69	-51.67
O=C(C1=C2NC(=O)COC2=CC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907265	1	36	-1.0	-53.31	320.99	1.71	-51.60
CC1=C(Br)C(=O)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CN1C1CC1	REAL300019907266	0	40	-1.0	-65.53	347.71	5.42	-60.11
CC1=C(Br)C(=O)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CN1C1CC1	REAL300019907266	1	40	-1.0	-65.53	347.77	5.43	-60.10
O=C(C1=C2CCCCC2=NNC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907267	0	39	-1.0	-44.23	296.95	0.34	-43.89
O=C(C1=C2CCCCC2=NNC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907267	1	39	-1.0	-44.23	297.01	0.33	-43.90
O=C(C1=CC=C(N2CCCNS2(=O)=O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907268	0	44	-1.0	-63.36	357.17	0.59	-62.77
O=C(C1=CC=C(N2CCCNS2(=O)=O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907268	1	44	-1.0	-63.39	357.23	0.61	-62.78
O=C(C1=CN=C(C2CCOCC2)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907269	0	40	-1.0	-53.96	333.34	2.22	-51.74
O=C(C1=CN=C(C2CCOCC2)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907269	1	40	-1.0	-53.96	333.40	2.24	-51.72
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C12CC(C(F)(F)F)(C1)CO2	REAL300019907270	0	35	-1.0	-47.15	300.05	2.88	-44.27
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL300019907270	1	35	-1.0	-47.19	300.11	2.90	-44.29
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907271	0	40	-1.0	-52.69	340.79	3.49	-49.20
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907271	1	40	-1.0	-52.70	340.85	3.51	-49.19
O=C(C1=CN=C2COCCC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907272	0	37	-1.0	-44.27	293.36	1.19	-43.08
O=C(C1=CN=C2COCCC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907272	1	37	-1.0	-44.22	293.43	1.20	-43.02
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907273	0	38	-1.0	-47.66	316.09	5.59	-42.07
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907273	1	38	-1.0	-47.63	316.15	5.60	-42.03
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=NN1CC(F)(F)F	REAL300019907274	0	36	-1.0	-58.27	316.53	3.68	-54.59
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=NN1CC(F)(F)F	REAL300019907274	1	36	-1.0	-58.30	316.59	3.71	-54.59
COCCOC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019907275	0	41	-1.0	-52.77	356.96	3.66	-49.11
COCCOC1=CC(Br)=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019907275	1	41	-1.0	-52.74	357.02	3.68	-49.06
CN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C2=CC=CC(Cl)=C21	REAL300019907276	0	37	-1.0	-58.03	315.78	5.62	-52.41
CN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C2=CC=CC(Cl)=C21	REAL300019907276	1	37	-1.0	-58.02	315.84	5.63	-52.39
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907277	0	39	-1.0	-50.35	329.04	5.91	-44.44
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907277	1	39	-1.0	-50.34	328.98	5.89	-44.45
O=C(C=CC1=C(Br)C=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907278	0	31	-1.0	-54.13	298.33	4.80	-49.33
O=C(C=CC1=C(Br)C=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907278	1	31	-1.0	-54.16	298.39	4.83	-49.33
O=C(C=CC1=C(Br)SC=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907279	0	31	-1.0	-54.97	298.26	4.76	-50.21
O=C(C=CC1=C(Br)SC=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907279	1	31	-1.0	-54.98	298.32	4.79	-50.19
O=C(C1=CN=CC(N2C=CC=N2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907280	0	35	-1.0	-49.95	303.19	3.11	-46.84
O=C(C1=CN=CC(N2C=CC=N2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907280	1	35	-1.0	-49.92	303.13	3.08	-46.84
O=C(C1=CC(F)=CC2=CN=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907281	0	35	-1.0	-52.90	296.55	4.11	-48.79
O=C(C1=CC(F)=CC2=CN=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907281	1	35	-1.0	-52.90	296.49	4.09	-48.81
CN1N=NC=C1C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019907282	0	39	-1.0	-55.51	320.30	3.34	-52.17
CN1N=NC=C1C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019907282	1	39	-1.0	-55.51	320.35	3.35	-52.16
O=C(C#CC1=CC=C(F)C(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907283	0	32	-1.0	-53.17	299.53	5.48	-47.69
O=C(C#CC1=CC=C(F)C(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907283	1	32	-1.0	-53.18	299.59	5.50	-47.68
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907284	0	48	-1.0	-52.61	370.83	4.47	-48.14
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907284	1	48	-1.0	-52.66	370.89	4.50	-48.16
O=C(C1=NOC(COC2=CC=C(F)C=C2F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907285	0	40	-1.0	-56.46	354.85	5.04	-51.42
O=C(C1=NOC(COC2=CC=C(F)C=C2F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907285	1	40	-1.0	-56.48	354.90	5.06	-51.42
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300019907286	0	39	-1.0	-51.01	326.37	3.95	-47.06
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300019907286	1	39	-1.0	-51.02	326.31	3.94	-47.08
O=C(C1=CC=CC(N2C=CC=C2)=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907287	0	37	-1.0	-53.55	309.71	6.53	-47.02
O=C(C1=CC=CC(N2C=CC=C2)=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907287	1	37	-1.0	-53.55	309.65	6.50	-47.05
O=C(CCC1=CC=C2OC=NC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907288	0	38	-1.0	-57.27	322.36	2.38	-54.89
O=C(CCC1=CC=C2OC=NC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907288	1	38	-1.0	-57.28	322.42	2.40	-54.88
O=C(C1=CC2=C(CCSC2)N=C1Cl)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907289	0	37	-1.0	-39.91	311.11	4.07	-35.84
O=C(C1=CC2=C(CCSC2)N=C1Cl)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907289	1	37	-1.0	-39.90	311.15	4.06	-35.84
O=C(C1=CC(Cl)=CC2=C1NCCC2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907290	0	39	-1.0	-50.79	323.31	4.29	-46.50
O=C(C1=CC(Cl)=CC2=C1NCCC2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907290	1	39	-1.0	-50.77	323.37	4.31	-46.46
NC1=NC(C2=COC=C2)=NC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907291	0	37	-1.0	-50.19	316.00	1.59	-48.60
NC1=NC(C2=COC=C2)=NC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907291	1	37	-1.0	-50.20	315.94	1.58	-48.62
CC1=C(C(N)=O)C=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907292	0	37	-1.0	-61.35	298.83	1.01	-60.34
CC1=C(C(N)=O)C=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907292	1	37	-1.0	-61.32	298.89	1.02	-60.30
O=C(CC1=CC(Cl)=CC(Br)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907293	0	33	-1.0	-50.84	317.29	5.78	-45.06
O=C(CC1=CC(Cl)=CC(Br)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907293	1	33	-1.0	-50.84	317.35	5.81	-45.03
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907294	0	36	-1.0	-56.54	321.58	3.18	-53.36
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907294	1	36	-1.0	-56.55	321.63	3.21	-53.34
O=C(C1=CC2=CC=CC(OC(F)F)=C2O1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907295	0	37	-1.0	-52.75	322.12	3.99	-48.76
O=C(C1=CC2=CC=CC(OC(F)F)=C2O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907295	1	37	-1.0	-52.77	322.17	4.01	-48.76
CCC1=CN2CCC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)CC2=N1	REAL300019907296	0	43	-1.0	-51.08	343.17	5.38	-45.70
CCC1=CN2CCC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)CC2=N1	REAL300019907296	1	43	-1.0	-51.04	343.23	5.40	-45.64
O=C(CC1CCCC2CCCCC12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907297	0	49	-1.0	-51.81	350.08	6.88	-44.93
O=C(CC1CCCC2CCCCC12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907297	1	49	-1.0	-51.84	350.14	6.90	-44.94
COC1=C2C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CSC2=CC=C1	REAL300019907298	0	37	-1.0	-56.54	315.23	5.66	-50.88
COC1=C2C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CSC2=CC=C1	REAL300019907298	1	37	-1.0	-56.54	315.17	5.63	-50.91
O=C(C1=C2C=CC=CC2=NS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907299	0	32	-1.0	-55.17	280.53	3.47	-51.70
O=C(C1=C2C=CC=CC2=NS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907299	1	32	-1.0	-55.14	280.47	3.45	-51.69
O=C(C1=C2SC(Br)=CN2C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907300	0	30	-1.0	-57.94	294.23	5.52	-52.42
O=C(C1=C2SC(Br)=CN2C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907300	1	30	-1.0	-57.94	294.17	5.49	-52.45
O=C(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CNC2=CC=C(F)C=C12	REAL300019907301	0	36	-1.0	-48.55	311.23	3.92	-44.63
O=C(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CNC2=CC=C(F)C=C12	REAL300019907301	1	36	-1.0	-48.58	311.28	3.95	-44.63
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019907302	0	50	-1.0	-58.78	402.34	1.99	-56.79
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019907302	1	50	-1.0	-58.71	402.28	1.97	-56.74
CC1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300019907303	0	50	-1.0	-50.20	383.02	4.55	-45.65
CC1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300019907303	1	50	-1.0	-50.25	383.07	4.58	-45.67
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019907304	0	59	0.0	-80.56	443.06	4.28	-76.28
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019907304	1	59	0.0	-80.57	443.11	4.30	-76.27
O=C(C1=CC2=C(CCCC2=O)N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907305	0	37	-1.0	-63.77	303.13	3.46	-60.31
O=C(C1=CC2=C(CCCC2=O)N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907305	1	37	-1.0	-63.83	303.19	3.47	-60.36
CC(C)(C)C1=CC=C2C(N)=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)SC2=N1	REAL300019907306	0	46	-1.0	-53.60	371.61	3.75	-49.85
CC(C)(C)C1=CC=C2C(N)=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)SC2=N1	REAL300019907306	1	46	-1.0	-53.60	371.56	3.73	-49.87
O=C(C1=COC(CN2C=CC=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907307	0	37	-1.0	-55.70	317.02	3.47	-52.23
O=C(C1=COC(CN2C=CC=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907307	1	37	-1.0	-55.68	316.96	3.46	-52.22
N#CC1=CNC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C12	REAL300019907308	0	35	-1.0	-47.12	296.90	3.51	-43.61
N#CC1=CNC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C12	REAL300019907308	1	35	-1.0	-47.11	296.83	3.52	-43.59
O=C(C1=CNC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907309	0	38	-1.0	-60.69	314.19	5.02	-55.67
O=C(C1=CNC(C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907309	1	38	-1.0	-60.66	314.13	5.00	-55.66
CC(C)(C)C1CCC(C(O)C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019907310	0	52	-1.0	-52.02	372.22	4.68	-47.34
CC(C)(C)C1CCC(C(O)C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019907310	1	52	-1.0	-52.03	372.28	4.71	-47.32
COC1=CC(Br)=CC=C1C(=O)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907311	0	36	-1.0	-46.82	321.05	4.88	-41.94
COC1=CC(Br)=CC=C1C(=O)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907311	1	36	-1.0	-46.82	321.11	4.91	-41.91
NC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1F	REAL300019907312	0	39	-1.0	-55.56	331.27	3.87	-51.69
NC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1F	REAL300019907312	1	39	-1.0	-55.54	331.20	3.86	-51.68
O=C(C1=C2NC=CC2=CC(F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907313	0	34	-1.0	-43.95	278.91	3.35	-40.60
O=C(C1=C2NC=CC2=CC(F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907313	1	34	-1.0	-44.00	278.85	3.35	-40.65
CCC1=NNC(CC)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907314	0	42	-1.0	-56.58	339.98	3.63	-52.95
CCC1=NNC(CC)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907314	1	42	-1.0	-56.59	339.92	3.60	-52.99
CN(C)C1=NC2=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=CC=C2O1	REAL300019907315	0	40	-1.0	-65.16	331.51	2.18	-62.98
CN(C)C1=NC2=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=CC=C2O1	REAL300019907315	1	40	-1.0	-65.16	331.45	2.17	-62.99
O=C([C@@H](O)CC1=CC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019907316	0	43	-1.0	-53.09	352.06	5.38	-47.71
O=C([C@@H](O)CC1=CC2=CC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019907316	1	43	-1.0	-53.08	352.12	5.40	-47.68
CS(C)(=O)=NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019907317	0	37	-1.0	-72.00	324.73	0.89	-71.11
CS(C)(=O)=NC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019907317	1	37	-1.0	-71.99	324.78	0.92	-71.07
O=C(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC(Br)=CS1	REAL300019907318	0	35	-1.0	-48.81	333.20	5.01	-43.80
O=C(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC(Br)=CS1	REAL300019907318	1	35	-1.0	-48.82	333.25	5.04	-43.78
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907319	0	48	0.0	-54.12	345.53	5.99	-48.13
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907319	1	48	0.0	-53.05	346.60	6.20	-46.85
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907319	1	48	0.0	-54.06	345.48	5.97	-48.09
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907319	1	48	0.0	-53.12	346.54	6.19	-46.93
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914202	0	55	-1.0	-41.97	415.40	3.18	-38.79
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914202	1	55	-1.0	-41.95	415.46	3.20	-38.75
C#CCN(CC(=O)N1CCC(CC2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300019914203	0	48	-1.0	-46.35	391.50	6.04	-40.31
C#CCN(CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300019914203	1	48	-1.0	-46.36	391.56	6.05	-40.31
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914204	0	45	-1.0	-52.77	385.69	6.84	-45.93
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914204	1	45	-1.0	-52.76	385.63	6.82	-45.94
O=C(CC1CCCS1(=O)=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914205	0	39	-1.0	-55.30	323.57	1.42	-53.88
O=C(CC1CCCS1(=O)=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914205	1	39	-1.0	-55.35	323.63	1.43	-53.92
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914206	0	42	-1.0	-41.62	362.29	6.18	-35.44
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914206	1	42	-1.0	-41.59	362.40	6.20	-35.39
CC1=CC=C(C(=O)C=CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019914207	0	42	-1.0	-48.26	355.07	6.59	-41.67
CC1=CC=C(C(=O)C=CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019914207	1	42	-1.0	-48.26	355.13	6.60	-41.66
CC1=CN(C(C)(C)C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019914208	0	42	-1.0	-41.43	328.11	5.28	-36.15
CC1=CN(C(C)(C)C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019914208	1	42	-1.0	-41.43	328.17	5.30	-36.13
O=C(C1=CC=C2NC=NC2=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914209	0	36	-1.0	-65.46	306.83	4.19	-61.27
O=C(C1=CC=C2NC=NC2=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914209	1	36	-1.0	-65.51	306.89	4.20	-61.31
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019914210	0	40	-1.0	-53.21	332.34	4.26	-48.95
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019914210	1	40	-1.0	-53.23	332.28	4.25	-48.98
CC1=CC=CC=C1NC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N=CS1	REAL300019914211	0	44	-1.0	-50.49	368.22	5.97	-44.52
CC1=CC=CC=C1NC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N=CS1	REAL300019914211	1	44	-1.0	-50.40	368.17	5.95	-44.45
CCN1C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CN=C1Br	REAL300019914212	0	36	-1.0	-47.20	313.84	4.22	-42.98
CCN1C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CN=C1Br	REAL300019914212	1	36	-1.0	-47.19	313.79	4.21	-42.98
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914213	0	36	-1.0	-61.83	325.06	2.67	-59.16
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914213	1	36	-1.0	-61.90	325.12	2.68	-59.22
O=C(NC(CO)C(=O)N1CCC(CC2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300019914214	0	48	-1.0	-43.04	401.88	1.01	-42.03
O=C(NC(CO)C(=O)N1CCC(CC2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300019914214	1	48	-1.0	-43.06	401.94	1.03	-42.03
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914215	0	36	-1.0	-49.74	329.44	5.87	-43.87
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914215	1	36	-1.0	-49.75	329.39	5.86	-43.89
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCC(CC3=N[N-]N=N3)C1)=NO2	REAL300019914216	0	52	-1.0	-47.89	418.30	3.71	-44.18
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCC(CC3=NN=N[N-]3)C1)=NO2	REAL300019914216	1	52	-1.0	-47.89	418.35	3.72	-44.17
CN1N=C(I)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914217	0	33	-1.0	-45.76	299.56	3.14	-42.62
CN1N=C(I)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914217	1	33	-1.0	-45.73	299.51	3.13	-42.60
CC(C)(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=C(C#N)C=C1	REAL300019914218	0	43	-1.0	-42.49	344.31	6.75	-35.74
CC(C)(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=C(C#N)C=C1	REAL300019914218	1	43	-1.0	-42.48	344.37	6.77	-35.71
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL300019914219	0	56	-1.0	-43.95	428.90	4.81	-39.14
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL300019914219	1	56	-1.0	-43.97	428.96	4.82	-39.15
CC(=CC1=CC=C(Br)O1)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914220	0	37	-1.0	-47.77	333.59	5.56	-42.21
CC(=CC1=CC=C(Br)O1)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914220	1	37	-1.0	-47.83	333.65	5.57	-42.26
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914221	0	43	-1.0	-56.16	374.80	5.26	-50.90
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914221	1	43	-1.0	-56.16	374.75	5.24	-50.92
O=CC1=CC=C(F)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019914222	0	35	-1.0	-55.62	304.41	4.32	-51.30
O=CC1=CC=C(F)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019914222	1	35	-1.0	-55.69	304.47	4.34	-51.35
O=CC1=CNC2=CC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=CC=C12	REAL300019914223	0	39	-1.0	-59.41	324.42	4.10	-55.31
O=CC1=CNC2=CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=CC=C12	REAL300019914223	1	39	-1.0	-59.44	324.48	4.12	-55.32
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC=C1C	REAL300019914224	0	52	-1.0	-53.04	422.02	8.90	-44.14
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC=C1C	REAL300019914224	1	52	-1.0	-53.05	422.08	8.91	-44.14
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019914225	0	49	-1.0	-59.69	398.72	7.95	-51.74
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019914225	1	49	-1.0	-59.73	398.78	7.97	-51.76
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914226	0	49	-1.0	-60.27	404.64	8.45	-51.82
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914226	1	49	-1.0	-60.25	404.70	8.46	-51.79
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019914227	0	52	-1.0	-45.98	432.83	9.32	-36.66
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019914227	1	52	-1.0	-46.04	432.89	9.33	-36.71
O=CC1=CC(Br)=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019914228	0	35	-1.0	-48.00	315.71	4.65	-43.35
O=CC1=CC(Br)=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019914228	1	35	-1.0	-48.03	315.76	4.67	-43.36
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914229	0	40	-1.0	-49.29	332.26	-0.14	-49.43
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914229	1	40	-1.0	-49.26	332.20	-0.15	-49.41
O=C(N1CCC(CC2=N[N-]N=N2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019914230	0	44	-1.0	-43.37	345.98	3.46	-39.91
O=C(N1CCC(CC2=NN=N[N-]2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300019914230	1	44	-1.0	-43.33	346.04	3.47	-39.86
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019914231	0	49	-1.0	-46.83	410.94	2.77	-44.06
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914231	1	49	-1.0	-46.84	411.00	2.79	-44.05
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914232	0	43	-1.0	-43.33	356.99	5.57	-37.76
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914232	1	43	-1.0	-43.30	357.04	5.59	-37.71
O=C(C1=CN=C2SC=CC2=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914233	0	35	-1.0	-52.06	303.39	3.87	-48.19
O=C(C1=CN=C2SC=CC2=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914233	1	35	-1.0	-51.98	303.33	3.85	-48.13
O=C(CC(F)(F)C(F)(F)F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914234	0	32	-1.0	-41.11	291.98	3.90	-37.21
O=C(CC(F)(F)C(F)(F)F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914234	1	32	-1.0	-41.16	292.04	3.92	-37.24
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914235	0	35	-1.0	-47.53	317.30	3.96	-43.57
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914235	1	35	-1.0	-47.51	317.24	3.95	-43.56
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914236	0	47	-1.0	-49.02	392.29	3.98	-45.04
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914236	1	47	-1.0	-49.02	392.35	4.00	-45.02
O=C(C1=COC(C(F)(F)F)=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914237	0	32	-1.0	-43.81	294.90	1.24	-42.57
O=C(C1=COC(C(F)(F)F)=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914237	1	32	-1.0	-43.83	294.84	1.23	-42.60
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914238	0	35	-1.0	-49.04	321.83	4.40	-44.64
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914238	1	35	-1.0	-49.02	321.77	4.38	-44.64
COC1=CC=C(C=O)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914239	0	39	-1.0	-55.78	327.15	4.37	-51.41
COC1=CC=C(C=O)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914239	1	39	-1.0	-55.82	327.21	4.38	-51.44
O=CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC=C1F	REAL300019914240	0	35	-1.0	-56.83	299.92	4.10	-52.73
O=CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC=C1F	REAL300019914240	1	35	-1.0	-56.85	299.98	4.11	-52.74
CS(=O)(=O)N1CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019914241	0	38	-1.0	-46.04	328.29	-0.13	-46.17
CS(=O)(=O)N1CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914241	1	38	-1.0	-46.04	328.35	-0.12	-46.16
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914242	0	43	-1.0	-39.56	362.54	7.91	-31.65
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914242	1	43	-1.0	-39.62	362.60	7.93	-31.69
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914243	0	46	-1.0	-49.34	382.30	6.82	-42.52
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914243	1	46	-1.0	-49.35	382.25	6.81	-42.54
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCC(CC5=N[N-]N=N5)C4)O3)C2=NC=N1	REAL300019914244	0	50	-1.0	-47.65	409.52	6.11	-41.54
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCC(CC5=NN=N[N-]5)C4)O3)C2=NC=N1	REAL300019914244	1	50	-1.0	-47.64	409.58	6.12	-41.52
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914245	0	45	-1.0	-47.39	380.54	4.07	-43.32
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914245	1	45	-1.0	-47.39	380.59	4.08	-43.31
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914246	0	44	-1.0	-41.50	346.52	4.81	-36.69
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914246	1	44	-1.0	-41.50	346.57	4.83	-36.67
CC1=NC(C2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)S2)=CS1	REAL300019914247	0	39	-1.0	-51.62	351.54	5.06	-46.56
CC1=NC(C2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)S2)=CS1	REAL300019914247	1	39	-1.0	-51.57	351.49	5.04	-46.53
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914248	0	49	-1.0	-44.49	407.02	7.16	-37.33
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914248	1	49	-1.0	-44.48	407.08	7.17	-37.31
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914249	0	47	-1.0	-45.07	375.59	7.55	-37.52
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914249	1	47	-1.0	-45.05	375.65	7.56	-37.49
CCC1=CC=C(F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914250	0	39	-1.0	-47.82	319.46	5.88	-41.94
CCC1=CC=C(F)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914250	1	39	-1.0	-47.82	319.52	5.90	-41.92
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914251	0	45	-1.0	-46.51	368.32	1.49	-45.02
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914251	1	45	-1.0	-46.50	368.38	1.51	-44.99
COCC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CS1	REAL300019914252	0	37	-1.0	-52.66	312.80	3.19	-49.47
COCC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CS1	REAL300019914252	1	37	-1.0	-52.70	312.86	3.20	-49.50
CN1C=CC2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019914253	0	40	-1.0	-55.09	324.85	6.04	-49.05
CN1C=CC2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019914253	1	40	-1.0	-55.10	324.91	6.06	-49.04
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019914254	0	45	-1.0	-43.53	363.43	6.61	-36.92
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300019914254	1	45	-1.0	-43.50	363.37	6.59	-36.91
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(C2CCCCO2)CCC1	REAL300019914255	0	47	-1.0	-43.43	343.61	4.85	-38.58
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(C2CCCCO2)CCC1	REAL300019914255	1	47	-1.0	-43.43	343.66	4.87	-38.56
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019914256	0	45	-1.0	-43.91	364.06	7.39	-36.52
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300019914256	1	45	-1.0	-43.97	364.12	7.40	-36.57
CC(C)(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019914257	0	44	-1.0	-47.25	359.34	5.91	-41.34
CC(C)(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300019914257	1	44	-1.0	-47.15	359.29	5.89	-41.26
COC1=CC=C(F)C(OC)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914258	0	41	-1.0	-54.89	349.62	3.54	-51.35
COC1=CC=C(F)C(OC)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914258	1	41	-1.0	-54.90	349.68	3.56	-51.34
COC1=CC=NC(OC)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914259	0	40	-1.0	-56.57	337.50	0.88	-55.69
COC1=CC=NC(OC)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914259	1	40	-1.0	-56.56	337.44	0.86	-55.70
COC(=O)C1=NN(C)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019914260	0	39	-1.0	-46.81	328.13	2.77	-44.04
COC(=O)C1=NN(C)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019914260	1	39	-1.0	-46.79	328.07	2.75	-44.04
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)C[C@H]1C	REAL300019914261	0	43	-1.0	-47.00	349.81	4.87	-42.13
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)C[C@H]1C	REAL300019914261	1	43	-1.0	-47.04	349.87	4.88	-42.16
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019914262	0	54	-1.0	-53.63	417.47	8.43	-45.20
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019914262	1	54	-1.0	-53.65	417.53	8.44	-45.21
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019914263	0	49	-1.0	-53.20	389.48	6.05	-47.15
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019914263	1	49	-1.0	-53.19	389.54	6.07	-47.12
O=C(C=CC1=CC=C(Cl)S1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914264	0	34	-1.0	-48.37	318.31	5.70	-42.67
O=C(C=CC1=CC=C(Cl)S1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914264	1	34	-1.0	-48.38	318.37	5.72	-42.66
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914265	0	41	-1.0	-54.55	356.00	5.86	-48.69
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914265	1	41	-1.0	-54.57	356.06	5.87	-48.70
O=C(C1=NN(C2CCOCC2)C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914266	0	44	-1.0	-50.92	352.50	3.64	-47.28
O=C(C1=NN(C2CCOCC2)C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914266	1	44	-1.0	-50.90	352.44	3.62	-47.28
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CC1=CN(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300019914272	0	39	-1.0	-49.76	343.95	4.60	-45.16
CC1=CN(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300019914272	1	39	-1.0	-49.80	343.89	4.59	-45.21
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019914273	0	43	-1.0	-41.04	350.73	7.57	-33.47
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019914273	1	43	-1.0	-41.05	350.79	7.58	-33.47
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CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914302	0	54	-1.0	-49.16	437.95	7.74	-41.42
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914302	1	54	-1.0	-49.20	438.01	7.76	-41.44
CN1CCOC2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019914303	0	43	-1.0	-53.61	337.00	2.94	-50.67
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CC(C)(CN1CCOCC1)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914305	1	48	-1.0	-40.30	350.98	2.03	-38.27
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CN1CC[N@H+](C)CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019914306	0	47	0.0	-59.71	349.68	3.24	-56.47
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CN1CC[N@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914306	1	47	0.0	-59.70	349.73	3.26	-56.44
CN1CC[N@@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914306	1	47	0.0	-60.62	347.36	3.16	-57.46
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CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCS(=O)(=O)CC1	REAL300019916205	0	42	-1.0	-45.26	321.58	1.03	-44.23
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCS(=O)(=O)CC1	REAL300019916205	1	42	-1.0	-45.24	321.64	1.04	-44.20
CC(F)(F)C1=CC=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916206	0	39	-1.0	-60.39	320.78	5.84	-54.55
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CCC1=NC=C2CC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)CCC2=N1	REAL300019916261	0	47	-1.0	-42.54	373.83	5.63	-36.91
CCC1=NC=C2CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)CCC2=N1	REAL300019916261	1	47	-1.0	-42.60	373.89	5.65	-36.95
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CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916263	1	52	-1.0	-57.91	415.00	3.18	-54.73
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019916264	0	53	-1.0	-48.37	404.76	4.96	-43.41
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019916264	1	53	-1.0	-48.36	404.82	4.97	-43.39
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916265	0	57	-1.0	-45.56	437.45	6.87	-38.69
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916265	1	57	-1.0	-45.63	437.51	6.89	-38.74
CC1=CN(CC2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C2)N=C1	REAL300019916266	0	46	-1.0	-57.49	376.90	6.67	-50.82
CC1=CN(CC2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=C2)N=C1	REAL300019916266	1	46	-1.0	-57.42	376.84	6.66	-50.76
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CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCNS1(=O)=O	REAL300019916269	0	41	-1.0	-45.42	321.05	-0.03	-45.45
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCNS1(=O)=O	REAL300019916269	1	41	-1.0	-45.42	321.10	-0.02	-45.44
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CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916277	1	57	-1.0	-41.11	429.70	3.77	-37.34
CC1=CC(F)=CC(C(C)C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916278	0	42	-1.0	-41.37	346.89	6.73	-34.64
CC1=CC(F)=CC(C(C)C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916278	1	42	-1.0	-41.34	346.95	6.75	-34.59
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916279	0	39	-1.0	-49.68	338.79	3.79	-45.89
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916279	1	39	-1.0	-49.71	338.73	3.77	-45.94
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CCOC1=C2C=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)SC2=NC=C1	REAL300019916287	1	42	-1.0	-52.80	356.76	4.29	-48.51
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CC1=NN=C(CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)N1C	REAL300019916288	1	41	-1.0	-48.11	338.93	5.25	-42.86
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CCC1=NC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C)=N1	REAL300019916289	1	40	-1.0	-45.90	327.40	3.69	-42.21
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916290	0	48	-1.0	-47.05	379.40	3.73	-43.32
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CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916292	0	54	-1.0	-49.34	415.88	6.15	-43.19
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916292	1	54	-1.0	-49.37	415.94	6.16	-43.21
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CC(C)(C)OC(=O)NC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCCCC1	REAL300019916297	0	59	-1.0	-44.19	419.91	6.80	-37.39
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCCCC1	REAL300019916297	1	59	-1.0	-44.21	419.97	6.82	-37.39
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CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL300019916299	0	59	-1.0	-42.65	447.85	5.48	-37.17
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL300019916299	1	59	-1.0	-42.62	447.90	5.50	-37.12
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CC1=NN(C2=CC=CC=C2C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019916303	0	43	-1.0	-62.44	352.65	6.71	-55.73
CC1=NN(C2=CC=CC=C2C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019916303	1	43	-1.0	-62.42	352.71	6.72	-55.70
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CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(C)=C(Br)O1	REAL300019916305	0	36	-1.0	-38.59	326.56	4.93	-33.66
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C)=C(Br)O1	REAL300019916305	1	36	-1.0	-38.59	326.61	4.95	-33.64
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916306	0	47	-1.0	-44.67	364.05	5.62	-39.05
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916306	1	47	-1.0	-44.67	363.99	5.60	-39.07
CC12CC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)(C1)C1(CCC1)O2	REAL300019916307	0	45	-1.0	-38.66	338.24	4.45	-34.21
CC12CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)(C1)C1(CCC1)O2	REAL300019916307	1	45	-1.0	-38.60	338.29	4.47	-34.13
CC12CC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)(C1)C1(CCOCC1)O2	REAL300019916308	0	49	-1.0	-40.12	359.58	3.14	-36.98
CC12CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)(C1)C1(CCOCC1)O2	REAL300019916308	1	49	-1.0	-40.12	359.63	3.15	-36.97
CC1=COC(C(C)C)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916309	0	42	-1.0	-40.85	347.63	5.63	-35.22
CC1=COC(C(C)C)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916309	1	42	-1.0	-40.83	347.70	5.64	-35.19
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916310	0	57	-1.0	-43.89	421.70	7.22	-36.67
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916310	1	57	-1.0	-43.92	421.76	7.23	-36.69
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916311	0	41	-1.0	-55.25	336.11	2.18	-53.07
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916311	1	41	-1.0	-55.30	336.16	2.20	-53.10
O=C(C1=NNC2=CC=C(F)C=C21)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916312	0	36	-1.0	-53.40	309.81	3.72	-49.68
O=C(C1=NNC2=CC=C(F)C=C21)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916312	1	36	-1.0	-53.39	309.86	3.74	-49.65
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019916313	0	51	-1.0	-41.78	391.79	7.55	-34.23
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019916313	1	51	-1.0	-41.75	391.85	7.57	-34.18
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(C2CCOCC2)CCOCC1	REAL300019916314	0	51	-1.0	-41.77	353.47	3.27	-38.50
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(C2CCOCC2)CCOCC1	REAL300019916314	1	51	-1.0	-41.78	353.53	3.29	-38.49
O=C(C1=CC=CC=C1C1CC1(F)F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916315	0	40	-1.0	-43.14	333.59	6.62	-36.52
O=C(C1=CC=CC=C1C1CC1(F)F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916315	1	40	-1.0	-43.16	333.66	6.64	-36.52
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916316	0	37	-1.0	-39.15	320.20	3.16	-35.99
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916316	1	37	-1.0	-39.16	320.24	3.18	-35.98
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916317	0	37	-1.0	-41.11	320.24	3.39	-37.72
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916317	1	37	-1.0	-41.15	320.31	3.41	-37.74
CCC1=NN(C)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1Cl	REAL300019916318	0	39	-1.0	-47.81	343.46	4.34	-43.47
CCC1=NN(C)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1Cl	REAL300019916318	1	39	-1.0	-47.79	343.51	4.35	-43.44
O=C(CSC1=CC=CC(F)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916319	0	37	-1.0	-52.81	326.93	6.09	-46.72
O=C(CSC1=CC=CC(F)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916319	1	37	-1.0	-52.83	326.99	6.10	-46.73
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916320	0	34	-1.0	-48.28	307.82	3.70	-44.58
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916320	1	34	-1.0	-48.35	307.88	3.71	-44.64
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916321	0	43	-1.0	-44.81	355.65	4.79	-40.02
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916321	1	43	-1.0	-44.80	355.71	4.81	-39.99
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916322	0	36	-1.0	-45.19	328.83	6.17	-39.02
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916322	1	36	-1.0	-45.21	328.89	6.18	-39.03
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916323	0	40	-1.0	-48.11	332.41	2.78	-45.33
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916323	1	40	-1.0	-48.13	332.35	2.76	-45.37
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916324	0	44	-1.0	-39.88	363.03	5.41	-34.47
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916324	1	44	-1.0	-39.87	363.09	5.43	-34.44
CCC1=NC(C)=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(C)=N1	REAL300019916325	0	43	-1.0	-39.50	354.01	4.35	-35.15
CCC1=NC(C)=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C)=N1	REAL300019916325	1	43	-1.0	-39.55	354.07	4.37	-35.18
CC(C)C1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300019916326	0	42	-1.0	-41.35	365.73	6.00	-35.35
CC(C)C1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300019916326	1	42	-1.0	-41.37	365.79	6.01	-35.36
CCC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300019916327	0	39	-1.0	-43.34	340.41	5.22	-38.12
CCC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300019916327	1	39	-1.0	-43.38	340.46	5.24	-38.14
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(C2CCCCO2)CC1	REAL300019916328	0	44	-1.0	-38.85	341.75	4.89	-33.96
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(C2CCCCO2)CC1	REAL300019916328	1	44	-1.0	-38.84	341.81	4.90	-33.94
CC1(C)CCC2=CC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=C(Cl)N=C2C1	REAL300019916329	0	48	-1.0	-52.29	383.33	6.52	-45.77
CC1(C)CCC2=CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=C(Cl)N=C2C1	REAL300019916329	1	48	-1.0	-52.27	383.39	6.54	-45.73
O=C(C1=CC(C2CC2)=NNC1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916330	0	39	-1.0	-56.02	333.05	2.48	-53.54
O=C(C1=CC(C2CC2)=NNC1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916330	1	39	-1.0	-56.09	333.11	2.50	-53.59
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300019916331	0	47	-1.0	-43.36	367.26	7.23	-36.13
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300019916331	1	47	-1.0	-43.36	367.32	7.24	-36.12
CC1=CC(C)=C2NC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=CC2=C1	REAL300019916332	0	43	-1.0	-49.63	348.26	6.22	-43.41
CC1=CC(C)=C2NC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=CC2=C1	REAL300019916332	1	43	-1.0	-49.65	348.32	6.24	-43.41
CC1=NC2=C(NC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=C2)S1	REAL300019916333	0	36	-1.0	-51.06	312.65	2.82	-48.24
CC1=NC2=C(NC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=C2)S1	REAL300019916333	1	36	-1.0	-51.08	312.71	2.84	-48.24
CC1(C)OCC2=C1NN=C2C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916334	0	41	-1.0	-51.01	334.83	1.99	-49.02
CC1(C)OCC2=C1NN=C2C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916334	1	41	-1.0	-51.01	334.88	2.00	-49.01
CC1(C)OCC2=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)NN=C21	REAL300019916334	1	41	-1.0	-48.02	331.30	1.94	-46.08
CC1(C)OCC2=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)NN=C21	REAL300019916334	1	41	-1.0	-48.06	331.36	1.95	-46.11
O=C(C1=CC(C2CCOCC2)=NN1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916335	0	44	-1.0	-48.33	348.47	2.69	-45.64
O=C(C1=CC(C2CCOCC2)=NN1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916335	1	44	-1.0	-48.37	348.53	2.70	-45.67
O=C(C1=CN(C2CCCC2)N=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916336	0	43	-1.0	-50.42	339.14	4.82	-45.60
O=C(C1=CN(C2CCCC2)N=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916336	1	43	-1.0	-50.40	339.08	4.81	-45.59
CC(C)(C)OC(=O)C1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCC1	REAL300019916337	0	51	-1.0	-39.30	381.10	6.55	-32.75
CC(C)(C)OC(=O)C1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCC1	REAL300019916337	1	51	-1.0	-39.31	381.16	6.56	-32.75
COC1=CC=C(N2N=CC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=C2C(C)C)C=C1	REAL300019916338	0	53	-1.0	-50.87	412.26	6.25	-44.62
COC1=CC=C(N2N=CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=C2C(C)C)C=C1	REAL300019916338	1	53	-1.0	-50.89	412.32	6.27	-44.62
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916339	0	39	-1.0	-49.87	326.65	5.10	-44.77
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916339	1	39	-1.0	-49.87	326.71	5.11	-44.76
O=C(CCN1C=CC2=CC=CN=C21)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916340	0	42	-1.0	-44.63	351.30	6.77	-37.86
O=C(CCN1C=CC2=CC=CN=C21)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916340	1	42	-1.0	-44.63	351.24	6.76	-37.87
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1F	REAL300019916341	0	38	-1.0	-53.84	327.46	6.79	-47.05
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1F	REAL300019916341	1	38	-1.0	-53.85	327.52	6.81	-47.04
CCCC1=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CS1	REAL300019916342	0	38	-1.0	-48.51	326.22	4.48	-44.03
CCCC1=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CS1	REAL300019916342	1	38	-1.0	-48.49	326.28	4.50	-43.99
CC1=NN(C)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1Cl	REAL300019916343	0	36	-1.0	-45.92	321.62	3.57	-42.35
CC1=NN(C)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1Cl	REAL300019916343	1	36	-1.0	-45.88	321.68	3.59	-42.29
CC(C)(C)C1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N1	REAL300019916344	0	43	-1.0	-50.68	340.76	5.07	-45.61
CC(C)(C)C1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N1	REAL300019916344	1	43	-1.0	-50.67	340.82	5.08	-45.59
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916345	0	39	-1.0	-50.67	345.54	2.65	-48.02
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916345	1	39	-1.0	-50.72	345.60	2.67	-48.05
COC1=CC=C2C=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)NC2=N1	REAL300019916346	0	40	-1.0	-48.33	332.58	2.68	-45.65
COC1=CC=C2C=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)NC2=N1	REAL300019916346	1	40	-1.0	-48.36	332.64	2.68	-45.68
COC(=O)C1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C(C)S1	REAL300019916347	0	39	-1.0	-48.60	335.15	4.87	-43.73
COC(=O)C1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C(C)S1	REAL300019916347	1	39	-1.0	-48.58	335.20	4.89	-43.69
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916348	0	46	-1.0	-59.90	375.81	2.35	-57.55
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916348	1	46	-1.0	-59.90	375.86	2.37	-57.53
CC(C)(C)C1=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CN1	REAL300019916349	0	42	-1.0	-50.06	339.67	4.34	-45.72
CC(C)(C)C1=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CN1	REAL300019916349	1	42	-1.0	-50.09	339.73	4.35	-45.74
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916350	0	36	-1.0	-58.60	318.38	4.79	-53.81
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916350	1	36	-1.0	-58.56	318.32	4.77	-53.79
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCC(CC3=N[N-]N=N3)C1)=C2	REAL300019916351	0	39	-1.0	-50.07	356.59	5.73	-44.34
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCC(CC3=NN=N[N-]3)C1)=C2	REAL300019916351	1	39	-1.0	-50.09	356.65	5.74	-44.35
CCN1C=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC1=O	REAL300019916352	0	39	-1.0	-56.04	328.64	4.47	-51.57
CCN1C=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC1=O	REAL300019916352	1	39	-1.0	-56.10	328.70	4.48	-51.62
COC1=CC=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1F	REAL300019916353	0	36	-1.0	-56.78	305.23	2.96	-53.82
COC1=CC=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1F	REAL300019916353	1	36	-1.0	-56.77	305.17	2.94	-53.83
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916354	0	42	-1.0	-59.89	361.41	5.00	-54.89
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916354	1	42	-1.0	-59.91	361.47	5.02	-54.89
O=C(CSC1=CC=CC(Cl)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916355	0	37	-1.0	-52.05	337.25	6.53	-45.52
O=C(CSC1=CC=CC(Cl)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916355	1	37	-1.0	-52.06	337.31	6.54	-45.52
COCC1=CN=C(OC)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916356	0	43	-1.0	-55.31	356.63	1.78	-53.53
COCC1=CN=C(OC)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916356	1	43	-1.0	-55.30	356.57	1.76	-53.54
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916357	0	46	-1.0	-41.21	377.69	8.26	-32.95
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916357	1	46	-1.0	-41.24	377.75	8.27	-32.97
COC1=CC=C(C(C)=CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019916358	0	44	-1.0	-49.16	360.60	6.12	-43.04
COC1=CC=C(C(C)=CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019916358	1	44	-1.0	-49.14	360.66	6.14	-43.00
O=C(CN1N=NC(C2CC2)=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916359	0	38	-1.0	-46.98	325.80	3.10	-43.88
O=C(CN1N=NC(C2CC2)=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916359	1	38	-1.0	-47.01	325.87	3.12	-43.89
CC1(C)OC2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=C2O1	REAL300019916360	0	42	-1.0	-53.86	339.48	4.61	-49.25
CC1(C)OC2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C2O1	REAL300019916360	1	42	-1.0	-53.92	339.53	4.62	-49.30
COC1=CC=C(C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C(F)F)C=C1	REAL300019916361	0	46	-1.0	-40.68	375.27	6.26	-34.42
COC1=CC=C(C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C(F)F)C=C1	REAL300019916361	1	46	-1.0	-40.68	375.33	6.27	-34.41
COC1=CC2=C(OCC2)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916362	0	42	-1.0	-56.36	341.04	3.67	-52.69
COC1=CC2=C(OCC2)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916362	1	42	-1.0	-56.42	341.08	3.68	-52.74
CC1=CC(=O)N(CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019916363	0	41	-1.0	-48.75	343.89	5.00	-43.75
CC1=CC(=O)N(CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019916363	1	41	-1.0	-48.69	343.94	5.02	-43.67
O=C(C1=C2OC=CC2=CC=C1Cl)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916364	0	36	-1.0	-54.44	324.66	5.53	-48.91
O=C(C1=C2OC=CC2=CC=C1Cl)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916364	1	36	-1.0	-54.45	324.71	5.54	-48.91
CC1=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C(C2=CC=C(F)C=C2)S1	REAL300019916365	0	42	-1.0	-49.29	366.46	6.84	-42.45
CC1=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C(C2=CC=C(F)C=C2)S1	REAL300019916365	1	42	-1.0	-49.27	366.52	6.85	-42.42
CC1=CSC2=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)N=CN=C12	REAL300019916366	0	37	-1.0	-47.94	322.53	5.29	-42.65
CC1=CSC2=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)N=CN=C12	REAL300019916366	1	37	-1.0	-47.96	322.47	5.28	-42.68
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916367	0	47	-1.0	-42.55	379.83	5.00	-37.55
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916367	1	47	-1.0	-42.55	379.88	5.02	-37.53
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)N=C1	REAL300019916368	0	50	-1.0	-52.38	403.97	3.13	-49.25
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)N=C1	REAL300019916368	1	50	-1.0	-52.32	404.03	3.14	-49.18
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019916369	0	54	-1.0	-47.92	427.27	5.47	-42.45
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019916369	1	54	-1.0	-47.94	427.33	5.49	-42.45
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916370	0	53	-1.0	-49.74	410.33	4.24	-45.50
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916370	1	53	-1.0	-49.75	410.39	4.25	-45.50
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019916371	0	56	-1.0	-43.45	437.81	5.22	-38.23
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019916371	1	56	-1.0	-43.47	437.86	5.24	-38.23
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916372	0	53	-1.0	-42.87	424.03	2.50	-40.37
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916372	1	53	-1.0	-42.88	424.08	2.52	-40.36
O=C(CC1=NN=C2COCCN12)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916373	0	40	-1.0	-48.38	331.12	3.04	-45.34
O=C(CC1=NN=C2COCCN12)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916373	1	40	-1.0	-48.39	331.18	3.06	-45.33
COC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C(N)C(OC)=C1OC	REAL300019916374	0	47	-1.0	-48.63	382.20	1.88	-46.75
COC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C(N)C(OC)=C1OC	REAL300019916374	1	47	-1.0	-48.65	382.26	1.90	-46.75
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916375	0	35	-1.0	-44.37	318.67	3.60	-40.77
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916375	1	35	-1.0	-44.40	318.72	3.62	-40.78
NC1=CC=C(Br)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916376	0	35	-1.0	-45.55	308.94	3.20	-42.35
NC1=CC=C(Br)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916376	1	35	-1.0	-45.58	309.00	3.22	-42.36
NC1=CC=C(Cl)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916377	0	35	-1.0	-45.69	304.37	3.10	-42.59
NC1=CC=C(Cl)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916377	1	35	-1.0	-45.71	304.43	3.11	-42.60
NC1=CC=C(I)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916378	0	35	-1.0	-45.32	315.42	3.68	-41.64
NC1=CC=C(I)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916378	1	35	-1.0	-45.34	315.48	3.69	-41.65
NC1=C(Cl)C=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916379	0	35	-1.0	-47.84	301.81	3.16	-44.68
NC1=C(Cl)C=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916379	1	35	-1.0	-47.84	301.87	3.17	-44.67
NC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CC=C1C(F)(F)F	REAL300019916380	0	38	-1.0	-48.33	321.43	3.79	-44.54
NC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CC=C1C(F)(F)F	REAL300019916380	1	38	-1.0	-48.38	321.49	3.80	-44.58
NC1=CC(F)=C(F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916381	0	35	-1.0	-44.67	300.28	2.74	-41.93
NC1=CC(F)=C(F)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916381	1	35	-1.0	-44.69	300.34	2.75	-41.94
CC1=CC(Br)=C(N)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916382	0	38	-1.0	-47.06	327.07	3.98	-43.08
CC1=CC(Br)=C(N)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916382	1	38	-1.0	-47.07	327.13	4.00	-43.07
NC1=C(Br)C=C(F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916383	0	35	-1.0	-44.28	312.45	3.30	-40.98
NC1=C(Br)C=C(F)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916383	1	35	-1.0	-44.32	312.51	3.31	-41.01
NC1=C(Br)C=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916384	0	35	-1.0	-47.74	305.89	3.29	-44.45
NC1=C(Br)C=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916384	1	35	-1.0	-47.72	305.95	3.31	-44.41
NC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CC(Cl)=C1Cl	REAL300019916385	0	35	-1.0	-45.98	316.71	3.66	-42.32
NC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CC(Cl)=C1Cl	REAL300019916385	1	35	-1.0	-46.00	316.77	3.67	-42.33
CC1=CC=C(F)C(N)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916386	0	38	-1.0	-39.68	319.43	3.20	-36.48
CC1=CC=C(F)C(N)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916386	1	38	-1.0	-39.68	319.49	3.22	-36.46
NC1=C(I)C=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916387	0	35	-1.0	-47.49	311.82	3.77	-43.72
NC1=C(I)C=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916387	1	35	-1.0	-47.48	311.88	3.78	-43.70
CC1=CC(F)=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1N	REAL300019916388	0	38	-1.0	-46.11	311.69	3.43	-42.68
CC1=CC(F)=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1N	REAL300019916388	1	38	-1.0	-46.10	311.75	3.45	-42.65
NC1=C(F)C=C(Br)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916389	0	35	-1.0	-44.59	314.31	3.24	-41.35
NC1=C(F)C=C(Br)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916389	1	35	-1.0	-44.59	314.37	3.26	-41.33
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916390	0	38	-1.0	-45.53	326.66	3.58	-41.95
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916390	1	38	-1.0	-45.51	326.71	3.59	-41.92
CC1=CC(Br)=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1N	REAL300019916391	0	38	-1.0	-45.69	326.58	3.97	-41.72
CC1=CC(Br)=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1N	REAL300019916391	1	38	-1.0	-45.70	326.63	3.98	-41.72
NC1=CC(F)=C(Br)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916392	0	35	-1.0	-44.21	314.56	3.27	-40.94
NC1=CC(F)=C(Br)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916392	1	35	-1.0	-44.26	314.61	3.29	-40.97
CC1=CC(Cl)=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1N	REAL300019916393	0	38	-1.0	-45.90	322.01	3.86	-42.04
CC1=CC(Cl)=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1N	REAL300019916393	1	38	-1.0	-45.88	322.06	3.88	-42.00
CC1=CC(Cl)=C(N)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916394	0	38	-1.0	-47.18	322.98	3.85	-43.33
CC1=CC(Cl)=C(N)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916394	1	38	-1.0	-47.18	323.04	3.86	-43.32
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916395	0	35	-1.0	-44.30	310.15	3.17	-41.13
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916395	1	35	-1.0	-44.31	310.20	3.19	-41.12
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916396	0	35	-1.0	-44.32	322.76	3.74	-40.58
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916396	1	35	-1.0	-44.33	322.82	3.76	-40.57
CC1=CN(C2=CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=C(N)C=C2F)N=C1	REAL300019916397	0	45	-1.0	-47.56	370.91	4.45	-43.11
CC1=CN(C2=CC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=C(N)C=C2F)N=C1	REAL300019916397	1	45	-1.0	-47.53	370.86	4.44	-43.09
COC1=CC(N)=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300019916398	0	45	-1.0	-55.00	374.63	-0.03	-55.03
COC1=CC(N)=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300019916398	1	45	-1.0	-55.02	374.68	-0.02	-55.04
CC1=C(Br)C=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1N	REAL300019916399	0	38	-1.0	-45.91	323.38	3.85	-42.06
CC1=C(Br)C=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1N	REAL300019916399	1	38	-1.0	-45.98	323.44	3.87	-42.11
CC1=C(F)C=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1N	REAL300019916400	0	38	-1.0	-46.13	310.64	3.37	-42.76
CC1=C(F)C=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1N	REAL300019916400	1	38	-1.0	-46.10	310.69	3.38	-42.72
CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(N)=C1Cl	REAL300019916401	0	38	-1.0	-47.96	320.24	3.77	-44.19
CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(N)=C1Cl	REAL300019916401	1	38	-1.0	-47.90	320.30	3.78	-44.12
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C(N)C=C1F	REAL300019916402	0	38	-1.0	-45.87	314.17	3.28	-42.59
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C(N)C=C1F	REAL300019916402	1	38	-1.0	-45.90	314.22	3.30	-42.60
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916403	0	35	-1.0	-44.36	308.35	3.16	-41.20
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916403	1	35	-1.0	-44.39	308.41	3.18	-41.21
COC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(N)=C1F	REAL300019916404	0	39	-1.0	-50.12	321.88	2.03	-48.09
COC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(N)=C1F	REAL300019916404	1	39	-1.0	-50.12	321.93	2.05	-48.07
COC1=C(F)C=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(N)=C1F	REAL300019916405	0	39	-1.0	-45.39	332.47	2.11	-43.28
COC1=C(F)C=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(N)=C1F	REAL300019916405	1	39	-1.0	-45.37	332.53	2.13	-43.24
NC1=CC(Br)=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1N	REAL300019916406	0	37	-1.0	-46.42	320.64	1.29	-45.13
NC1=CC(Br)=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1N	REAL300019916406	1	37	-1.0	-46.46	320.70	1.31	-45.15
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916407	0	35	-1.0	-44.28	319.44	3.58	-40.70
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916407	1	35	-1.0	-44.23	319.49	3.59	-40.64
NC1=CC(Br)=C(F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916408	0	35	-1.0	-44.34	314.56	3.29	-41.05
NC1=CC(Br)=C(F)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916408	1	35	-1.0	-44.36	314.61	3.30	-41.06
COC1=CC(Br)=C(N)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916409	0	39	-1.0	-46.50	335.50	2.52	-43.98
COC1=CC(Br)=C(N)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916409	1	39	-1.0	-46.48	335.56	2.54	-43.94
NC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CC(Cl)=C1F	REAL300019916410	0	35	-1.0	-46.61	308.81	3.21	-43.40
NC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CC(Cl)=C1F	REAL300019916410	1	35	-1.0	-46.61	308.86	3.23	-43.38
COC1=CC(N)=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1Br	REAL300019916411	0	39	-1.0	-46.28	337.30	2.57	-43.71
COC1=CC(N)=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1Br	REAL300019916411	1	39	-1.0	-46.29	337.35	2.58	-43.71
NC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300019916412	0	35	-1.0	-46.34	313.21	3.31	-43.03
NC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300019916412	1	35	-1.0	-46.32	313.27	3.33	-42.99
CC1=C(F)C=CC(N)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916413	0	38	-1.0	-40.59	319.26	3.13	-37.46
CC1=C(F)C=CC(N)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916413	1	38	-1.0	-40.62	319.32	3.15	-37.47
COC1=CC(OC)=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(N)=C1Cl	REAL300019916414	0	43	-1.0	-50.34	366.72	1.90	-48.44
COC1=CC(OC)=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(N)=C1Cl	REAL300019916414	1	43	-1.0	-50.37	366.78	1.91	-48.46
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CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019916416	0	48	-1.0	-45.65	405.84	-0.92	-46.57
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019916416	1	48	-1.0	-45.64	405.90	-0.91	-46.55
O=C(C1=C(Cl)C=CC2=CC=NC=C21)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916417	0	38	-1.0	-54.61	337.16	5.51	-49.10
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CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019916418	0	57	-1.0	-45.87	426.49	3.40	-42.47
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019916418	1	57	-1.0	-45.88	426.55	3.41	-42.47
O=C(CCC1=C(Br)SC=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916419	0	36	-1.0	-39.40	332.61	5.97	-33.43
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CN1C=C(Br)C(=O)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916420	0	36	-1.0	-72.36	328.89	4.59	-67.77
CN1C=C(Br)C(=O)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916420	1	36	-1.0	-72.37	328.94	4.61	-67.76
CC(C)(C)OC1CC(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C1(C)C	REAL300019916421	0	55	-1.0	-41.47	415.37	6.88	-34.59
CC(C)(C)OC1CC(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1(C)C	REAL300019916421	1	55	-1.0	-41.46	415.43	6.89	-34.57
O=C(N1CCC(CC2=NN=N[N-]2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019916422	0	44	0.0	-54.24	331.15	5.71	-48.53
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CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)NC2=CC=C(F)C=C21	REAL300019916426	0	40	-1.0	-49.24	329.67	5.63	-43.61
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)NC2=CC=C(F)C=C21	REAL300019916426	1	40	-1.0	-49.27	329.72	5.65	-43.62
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916427	0	40	-1.0	-50.49	341.60	6.55	-43.94
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916427	1	40	-1.0	-50.49	341.66	6.57	-43.92
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CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019916429	0	44	-1.0	-48.09	369.28	5.33	-42.76
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019916429	1	44	-1.0	-48.08	369.34	5.35	-42.73
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CC1=NSC(Br)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916437	0	32	-1.0	-44.95	307.61	3.60	-41.35
CC1=NSC(Br)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916437	1	32	-1.0	-44.99	307.67	3.61	-41.38
CC1=CN2CC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)CCC2=N1	REAL300019916438	0	43	-1.0	-41.79	344.06	5.45	-36.34
CC1=CN2CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)CCC2=N1	REAL300019916438	1	43	-1.0	-41.80	344.11	5.47	-36.33
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COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1Cl	REAL300019916440	0	43	-1.0	-55.13	369.77	4.84	-50.29
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1Cl	REAL300019916440	1	43	-1.0	-55.10	369.83	4.85	-50.25
NC1=C(Br)C=NC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916441	0	34	-1.0	-45.31	300.96	1.44	-43.87
NC1=C(Br)C=NC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916441	1	34	-1.0	-45.34	301.01	1.46	-43.88
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O=C(CCN1CCCC2=CC=CC=C21)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916443	1	48	-1.0	-39.47	369.44	5.91	-33.56
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916444	0	50	-1.0	-45.33	399.60	0.82	-44.51
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916444	1	50	-1.0	-45.35	399.66	0.83	-44.52
CC1=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C(NC(=O)OC(C)(C)C)O1	REAL300019916445	0	49	-1.0	-48.95	396.23	1.49	-47.46
CC1=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C(NC(=O)OC(C)(C)C)O1	REAL300019916445	1	49	-1.0	-48.93	396.29	1.51	-47.42
O=C(C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019916446	0	35	-1.0	-58.77	333.64	6.12	-52.65
O=C(C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019916446	1	35	-1.0	-58.79	333.70	6.13	-52.66
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=C2)S1	REAL300019916447	0	38	-1.0	-52.81	357.09	-0.01	-52.82
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=C2)S1	REAL300019916447	1	38	-1.0	-52.78	357.14	0.01	-52.77
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCC(CC3=N[N-]N=N3)C1)C2	REAL300019916448	0	43	-1.0	-44.55	364.63	6.01	-38.54
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCC(CC3=NN=N[N-]3)C1)C2	REAL300019916448	1	43	-1.0	-44.58	364.69	6.02	-38.56
O=C(C(O)CC1=CC=NC=C1Br)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916449	0	39	-1.0	-41.26	334.08	3.21	-38.05
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CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=CN21	REAL300019916450	0	40	0.0	-65.45	333.41	6.45	-59.00
CC1=NC=C2C=CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=CN21	REAL300019916450	1	39	-1.0	-49.09	330.16	5.97	-43.12
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL300019916451	0	42	-1.0	-41.77	342.01	4.96	-36.81
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COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916452	0	36	-1.0	-40.59	319.81	4.49	-36.10
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916452	1	36	-1.0	-40.64	319.87	4.50	-36.14
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CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916454	0	50	-1.0	-45.65	395.21	0.78	-44.87
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916454	1	50	-1.0	-45.64	395.27	0.79	-44.85
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916455	0	41	-2.0	-102.54	346.03	-1.35	-103.89
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916455	1	41	-2.0	-102.54	346.09	-1.34	-103.88
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC(CC3=N[N-]N=N3)C1)C2	REAL300019916456	0	54	-1.0	-52.18	422.90	5.76	-46.42
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC(CC3=NN=N[N-]3)C1)C2	REAL300019916456	1	54	-1.0	-52.18	422.96	5.78	-46.40
CC1=C(I)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=NO1	REAL300019916457	0	32	-1.0	-46.06	300.34	4.16	-41.90
CC1=C(I)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=NO1	REAL300019916457	1	32	-1.0	-46.06	300.39	4.17	-41.89
CC1(C2=NOC=C2C(=O)N2CCC(CC3=NN=N[N-]3)C2)COC1	REAL300019916458	0	40	-1.0	-49.66	324.73	2.39	-47.27
CC1(C2=NOC=C2C(=O)N2CCC(CC3=N[N-]N=N3)C2)COC1	REAL300019916458	1	40	-1.0	-49.63	324.68	2.38	-47.25
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)O1	REAL300019916459	0	48	-1.0	-46.59	381.68	4.96	-41.63
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL300019916459	1	48	-1.0	-46.59	381.74	4.97	-41.62
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916460	0	47	-1.0	-46.58	382.64	2.82	-43.76
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916460	1	47	-1.0	-46.59	382.70	2.83	-43.76
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCC(CC3=N[N-]N=N3)C2)[C@H](O)C1	REAL300019916461	0	54	-1.0	-48.71	422.52	2.24	-46.47
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCC(CC3=NN=N[N-]3)C2)[C@H](O)C1	REAL300019916461	1	54	-1.0	-48.72	422.58	2.26	-46.46
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC(CC3=N[N-]N=N3)C1)C2	REAL300019916462	0	54	-1.0	-52.18	422.90	5.76	-46.42
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC(CC3=NN=N[N-]3)C1)C2	REAL300019916462	1	54	-1.0	-52.18	422.96	5.78	-46.40
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CC1(C)CCCC(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL300019916796	1	46	-1.0	-41.47	350.94	5.64	-35.83
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COC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=CN=C1	REAL300019916797	1	39	-1.0	-44.82	322.77	3.62	-41.20
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CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019916799	1	56	-1.0	-45.51	418.42	4.30	-41.21
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C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCC(CC3=NN=N[N-]3)C1)C2	REAL300019916801	1	45	-1.0	-48.93	348.49	1.93	-47.00
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COC1(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300019916933	1	54	-1.0	-49.02	422.80	3.64	-45.38
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CCCCOC1=CC=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019916960	1	49	-1.0	-41.99	396.49	7.41	-34.58
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CC(C)(C)C1=CC=NC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916966	0	44	-1.0	-49.90	347.84	5.90	-44.00
CC(C)(C)C1=CC=NC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916966	1	44	-1.0	-49.88	347.79	5.89	-43.99
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COC1CC2(C1)CCC(C(=O)N1CCC(CC3=NN=N[N-]3)C1)CC2	REAL300019916967	1	50	-1.0	-40.57	379.98	5.62	-34.95
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916968	0	51	-1.0	-41.41	402.09	8.95	-32.46
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CCC(C)(C)C1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL300019916969	0	54	-1.0	-39.14	386.27	7.48	-31.66
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CCC(CCC1=CC=CC=C1)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916974	0	48	-1.0	-41.39	380.60	8.18	-33.21
CCC(CCC1=CC=CC=C1)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916974	1	48	-1.0	-41.39	380.66	8.20	-33.19
COC1(C(F)(F)C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCC1	REAL300019916975	0	43	-1.0	-38.05	332.90	4.37	-33.68
COC1(C(F)(F)C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCC1	REAL300019916975	1	43	-1.0	-38.05	332.95	4.38	-33.67
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CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)N=C1Br	REAL300019916978	0	35	-1.0	-47.19	310.73	4.62	-42.57
CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)N=C1Br	REAL300019916978	1	35	-1.0	-47.16	310.68	4.61	-42.55
CN(C)C1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300019916979	0	43	-1.0	-49.23	351.62	5.60	-43.63
CN(C)C1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300019916979	1	43	-1.0	-49.22	351.68	5.62	-43.60
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916980	0	37	-1.0	-48.74	325.52	4.36	-44.38
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916980	1	37	-1.0	-48.72	325.46	4.34	-44.38
COC(=O)C1=CSC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916981	0	36	-1.0	-55.72	319.55	4.21	-51.51
COC(=O)C1=CSC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916981	1	36	-1.0	-55.70	319.61	4.22	-51.48
CC(C)(C)C1=CN=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019916982	0	44	-1.0	-49.88	342.87	4.93	-44.95
CC(C)(C)C1=CN=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019916982	1	44	-1.0	-49.81	342.82	4.91	-44.90
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916983	0	41	-1.0	-49.26	361.08	6.62	-42.64
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916983	1	41	-1.0	-49.26	361.14	6.64	-42.62
N#CC1=CC=C(C2=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)N=CO2)C=C1	REAL300019916984	0	40	-1.0	-50.18	350.60	4.26	-45.92
N#CC1=CC=C(C2=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)N=CO2)C=C1	REAL300019916984	1	40	-1.0	-50.16	350.54	4.25	-45.91
COC1CC(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C1(C)C	REAL300019916985	0	46	-1.0	-39.70	359.06	4.69	-35.01
COC1CC(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1(C)C	REAL300019916985	1	46	-1.0	-39.71	359.12	4.70	-35.01
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916986	0	57	-1.0	-46.32	434.04	6.87	-39.45
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916986	1	57	-1.0	-46.38	434.09	6.89	-39.49
CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019916987	0	43	-1.0	-46.01	359.99	6.61	-39.40
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019916987	1	43	-1.0	-46.00	360.05	6.63	-39.37
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916988	0	53	-1.0	-39.56	414.43	3.82	-35.74
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916988	1	53	-1.0	-39.50	414.48	3.85	-35.65
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=NN21	REAL300019916989	0	47	-1.0	-60.70	369.49	5.88	-54.82
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=NN21	REAL300019916989	1	47	-1.0	-60.67	369.43	5.86	-54.81
O=C(N1CCC(CC2=N[N-]N=N2)C1)C12CCCN1C(=O)CCCC2	REAL300019916990	0	47	-1.0	-46.61	346.48	4.50	-42.11
O=C(N1CCC(CC2=NN=N[N-]2)C1)C12CCCN1C(=O)CCCC2	REAL300019916990	1	47	-1.0	-46.65	346.54	4.51	-42.14
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O=C(C1CCC2(CC2(F)F)C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916992	1	40	-1.0	-42.24	325.76	5.77	-36.47
O=C(C1CCCC2C1C2(F)F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916993	0	40	-1.0	-38.24	318.48	5.58	-32.66
O=C(C1CCCC2C1C2(F)F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916993	1	40	-1.0	-38.26	318.54	5.60	-32.66
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916994	0	44	-1.0	-44.44	353.33	6.13	-38.31
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916994	1	44	-1.0	-44.46	353.39	6.14	-38.32
O=C(CCC1=CC=CC(Br)=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916995	0	39	-1.0	-42.69	349.67	7.04	-35.65
O=C(CCC1=CC=CC(Br)=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916995	1	39	-1.0	-42.69	349.73	7.05	-35.64
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916996	0	51	-1.0	-37.62	349.97	7.06	-30.56
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916996	1	51	-1.0	-37.67	350.03	7.08	-30.59
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C[C@@H]12	REAL300019916997	0	51	-1.0	-42.86	404.63	4.24	-38.62
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C[C@@H]12	REAL300019916997	1	51	-1.0	-42.87	404.68	4.25	-38.62
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(C(F)F)=NN1C	REAL300019916998	0	39	-1.0	-46.81	337.63	3.82	-42.99
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C(F)F)=NN1C	REAL300019916998	1	39	-1.0	-46.83	337.68	3.84	-42.99
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916999	0	44	-1.0	-49.09	351.18	3.79	-45.30
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916999	1	44	-1.0	-49.15	351.24	3.81	-45.34
CCC1=CC=C(C(=O)C(=O)N2CCC(CC3=N[N-]N=N3)C2)S1	REAL300019917000	0	38	-1.0	-44.40	329.80	5.27	-39.13
CCC1=CC=C(C(=O)C(=O)N2CCC(CC3=NN=N[N-]3)C2)S1	REAL300019917000	1	38	-1.0	-44.44	329.86	5.28	-39.16
COC1=CC(Br)=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1F	REAL300019917001	0	37	-1.0	-47.97	329.60	4.50	-43.47
COC1=CC(Br)=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1F	REAL300019917001	1	37	-1.0	-47.97	329.65	4.52	-43.45
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917002	0	51	-1.0	-50.26	397.92	4.10	-46.16
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917002	1	51	-1.0	-50.25	397.98	4.11	-46.14
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917003	0	54	-1.0	-43.38	422.17	6.00	-37.38
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917003	1	54	-1.0	-43.47	422.24	6.02	-37.45
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C12COC2	REAL300019917004	0	55	-1.0	-46.42	415.47	4.42	-42.00
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C12COC2	REAL300019917004	1	55	-1.0	-46.50	415.52	4.44	-42.06
O=C(C1=CC(C2CCCC2)=NN1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917005	0	43	-1.0	-47.14	339.00	4.43	-42.71
O=C(C1=CC(C2CCCC2)=NN1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917005	1	43	-1.0	-47.20	339.05	4.44	-42.76
CC1(C)OC2=CC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=CC=C2NC1=O	REAL300019917006	0	45	-1.0	-50.26	361.53	2.91	-47.35
CC1(C)OC2=CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=CC=C2NC1=O	REAL300019917006	1	45	-1.0	-50.29	361.59	2.93	-47.36
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917007	0	41	-1.0	-42.05	332.01	3.61	-38.44
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917007	1	41	-1.0	-42.03	332.07	3.62	-38.41
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019917008	0	41	-1.0	-52.21	349.14	3.41	-48.80
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019917008	1	41	-1.0	-52.22	349.20	3.43	-48.79
COC(=O)C1=CC=CC2=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=CC=C12	REAL300019917009	0	45	-1.0	-50.87	368.48	7.24	-43.63
COC(=O)C1=CC=CC2=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=CC=C12	REAL300019917009	1	45	-1.0	-50.91	368.53	7.25	-43.66
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917010	0	40	-1.0	-47.13	327.12	1.07	-46.06
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917010	1	40	-1.0	-47.17	327.18	1.08	-46.09
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=NC=C1C(F)F	REAL300019917011	0	38	-1.0	-48.20	319.56	4.91	-43.29
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=NC=C1C(F)F	REAL300019917011	1	38	-1.0	-48.18	319.62	4.93	-43.25
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917012	0	41	-1.0	-58.46	341.08	2.83	-55.63
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917012	1	41	-1.0	-58.49	341.14	2.85	-55.64
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019917013	0	42	-1.0	-52.32	336.15	2.23	-50.09
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019917013	1	42	-1.0	-52.30	336.09	2.22	-50.08
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917014	0	37	-1.0	-49.48	328.43	4.44	-45.04
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917014	1	37	-1.0	-49.48	328.37	4.43	-45.05
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917015	0	53	-1.0	-41.13	419.10	2.43	-38.70
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917015	1	53	-1.0	-41.12	419.16	2.44	-38.68
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019917016	0	56	-1.0	-46.21	425.36	6.01	-40.20
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019917016	1	56	-1.0	-46.23	425.41	6.02	-40.21
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019917017	0	53	-1.0	-41.78	402.28	4.30	-37.48
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019917017	1	53	-1.0	-41.75	402.34	4.31	-37.44
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019917018	0	54	-1.0	-41.95	425.12	5.06	-36.89
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019917018	1	54	-1.0	-42.01	425.18	5.08	-36.93
COC1=CC=CC=C1OC(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917019	0	44	-1.0	-47.24	353.34	5.65	-41.59
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CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300019917207	1	45	-1.0	-42.34	355.43	7.98	-34.36
COC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC(F)=C1F	REAL300019917208	0	37	-1.0	-46.89	313.15	3.75	-43.14
COC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC(F)=C1F	REAL300019917208	1	37	-1.0	-46.91	313.21	3.77	-43.14
COC1=CC2=CC=CN=C2C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019917209	0	42	-1.0	-59.72	345.22	4.42	-55.30
COC1=CC2=CC=CN=C2C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019917209	1	42	-1.0	-59.67	345.17	4.41	-55.26
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917210	0	35	-1.0	-44.79	324.72	4.29	-40.50
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917210	1	35	-1.0	-44.78	324.66	4.28	-40.50
O=C(CC1CCC(=O)NC1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917211	0	39	-1.0	-51.77	318.77	2.57	-49.20
O=C(CC1CCC(=O)NC1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917211	1	39	-1.0	-51.73	318.82	2.59	-49.14
CCN1N=C(Br)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL300019917212	0	35	-1.0	-47.56	316.24	2.47	-45.09
CCN1N=C(Br)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL300019917212	1	35	-1.0	-47.53	316.18	2.46	-45.07
CC(C)(C)C1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(Cl)=N1	REAL300019917213	0	44	-1.0	-53.34	363.97	5.77	-47.57
CC(C)(C)C1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(Cl)=N1	REAL300019917213	1	44	-1.0	-53.32	363.91	5.76	-47.56
CN1C(=O)NC2(CCC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)CC2)C1=O	REAL300019917214	0	48	-1.0	-48.60	374.59	2.44	-46.16
CN1C(=O)NC2(CCC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)CC2)C1=O	REAL300019917214	1	48	-1.0	-48.61	374.65	2.45	-46.16
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917215	0	40	-1.0	-54.07	330.11	4.37	-49.70
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917215	1	40	-1.0	-54.05	330.17	4.38	-49.67
CC1=C2NN=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C2=CC=C1	REAL300019917216	0	39	-1.0	-51.58	324.76	4.31	-47.27
CC1=C2NN=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C2=CC=C1	REAL300019917216	1	39	-1.0	-51.58	324.81	4.33	-47.25
CC1=C2NN=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C2=CC(Br)=C1	REAL300019917217	0	39	-1.0	-51.14	346.01	4.92	-46.22
CC1=C2NN=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C2=CC(Br)=C1	REAL300019917217	1	39	-1.0	-51.14	346.07	4.93	-46.21
CC1=CC(Br)=CC2=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)NN=C21	REAL300019917217	1	39	-1.0	-49.94	341.79	4.75	-45.19
O=C(C1CCC2(CCOCC2)O1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917218	0	45	-1.0	-43.96	346.77	3.94	-40.02
O=C(C1CCC2(CCOCC2)O1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917218	1	45	-1.0	-43.97	346.83	3.95	-40.02
CC1=CC=CC=C1C1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=NO1	REAL300019917219	0	42	-1.0	-46.61	353.38	6.67	-39.94
CC1=CC=CC=C1C1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=NO1	REAL300019917219	1	42	-1.0	-46.59	353.32	6.66	-39.93
CC(F)(F)C1=CC=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL300019917220	0	38	-1.0	-47.05	321.30	5.15	-41.90
CC(F)(F)C1=CC=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL300019917220	1	38	-1.0	-47.02	321.25	5.14	-41.88
CC(C)(C)OC(=O)N1C2CC(CC2O)C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917221	0	55	-1.0	-48.56	422.52	3.54	-45.02
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917221	1	55	-1.0	-47.60	423.57	3.10	-44.50
CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=CC=C1Cl	REAL300019917222	0	39	-1.0	-40.47	329.61	6.40	-34.07
CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1Cl	REAL300019917222	1	39	-1.0	-40.43	329.67	6.42	-34.01
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917223	0	45	-1.0	-58.17	368.56	7.04	-51.13
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917223	1	45	-1.0	-58.17	368.62	7.05	-51.12
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917224	0	36	-1.0	-51.98	323.25	5.42	-46.56
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917224	1	36	-1.0	-52.00	323.31	5.44	-46.56
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917225	0	45	-1.0	-48.67	353.46	0.11	-48.56
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917225	1	45	-1.0	-48.67	353.52	0.12	-48.55
O=C(C1=C(I)C=CS1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917226	0	30	-1.0	-48.71	287.09	4.63	-44.08
O=C(C1=C(I)C=CS1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917226	1	30	-1.0	-48.72	287.15	4.65	-44.07
CCCN1C=C(Cl)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL300019917227	0	39	-1.0	-52.02	338.01	4.94	-47.08
CCCN1C=C(Cl)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL300019917227	1	39	-1.0	-51.98	337.95	4.92	-47.06
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C(Cl)N=C1C	REAL300019917228	0	38	-1.0	-54.03	323.29	4.30	-49.73
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C(Cl)N=C1C	REAL300019917228	1	38	-1.0	-54.05	323.35	4.31	-49.74
COC(=O)C1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300019917229	0	42	-1.0	-48.35	356.07	5.77	-42.58
COC(=O)C1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300019917229	1	42	-1.0	-48.33	356.13	5.79	-42.54
COC(=O)C1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019917230	0	42	-1.0	-43.21	334.73	4.89	-38.32
COC(=O)C1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019917230	1	42	-1.0	-43.22	334.79	4.90	-38.32
COC(=O)C1=NNC2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019917231	0	42	-1.0	-51.34	352.88	3.66	-47.68
COC(=O)C1=NNC2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019917231	1	42	-1.0	-51.37	352.94	3.67	-47.70
CC(C)(C)C1CCNC2=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=NN21	REAL300019917232	0	51	-1.0	-52.17	380.72	4.84	-47.33
CC(C)(C)C1CCNC2=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=NN21	REAL300019917232	1	51	-1.0	-52.21	380.67	4.83	-47.38
CNC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)SC2=NC=CN=C21	REAL300019917233	0	39	-1.0	-52.47	333.12	1.31	-51.16
CNC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)SC2=NC=CN=C21	REAL300019917233	1	39	-1.0	-52.48	333.06	1.30	-51.18
CC1=NN=C2SC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=C(N)C2=C1C	REAL300019917234	0	42	-1.0	-50.29	343.45	2.46	-47.83
CC1=NN=C2SC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=C(N)C2=C1C	REAL300019917234	1	42	-1.0	-50.29	343.51	2.48	-47.81
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(C2=CC=C(C)C=C2)=NO1	REAL300019917235	0	45	-1.0	-49.53	375.89	7.48	-42.05
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(C2=CC=C(C)C=C2)=NO1	REAL300019917235	1	45	-1.0	-49.50	375.83	7.47	-42.03
O=C(N1CCC(CC2=NN=N[N-]2)C1)C1(C2=NC=CC=C2F)CC1	REAL300019917236	0	39	-1.0	-42.36	330.34	4.91	-37.45
O=C(N1CCC(CC2=N[N-]N=N2)C1)C1(C2=NC=CC=C2F)CC1	REAL300019917236	1	39	-1.0	-42.37	330.28	4.90	-37.47
NC(=O)C1=CC=C(F)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019917237	0	37	-1.0	-57.86	315.66	1.38	-56.48
NC(=O)C1=CC=C(F)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019917237	1	37	-1.0	-57.88	315.71	1.40	-56.48
O=C(C(C1=CC=C(F)C=C1)C1CC1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917238	0	43	-1.0	-39.56	356.48	7.53	-32.03
O=C(C(C1=CC=C(F)C=C1)C1CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917238	1	43	-1.0	-39.56	356.54	7.55	-32.01
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019917239	0	49	-1.0	-39.92	396.99	0.68	-39.24
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019917239	1	49	-1.0	-39.96	397.05	0.70	-39.26
[N-]=[N+]=NC12CCC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)(CC1)C2	REAL300019917240	0	42	-1.0	-37.90	328.25	1.53	-36.37
[N-]=[N+]=NC12CCC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)(CC1)C2	REAL300019917240	1	42	-1.0	-37.89	328.31	1.55	-36.34
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019917241	0	52	-1.0	-41.14	409.01	1.40	-39.74
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019917241	1	52	-1.0	-41.21	409.06	1.41	-39.80
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917242	0	42	-1.0	-47.70	359.22	4.71	-42.99
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917242	1	42	-1.0	-47.64	359.16	4.69	-42.95
O=C(C1=CC(C2CCC2)=NO1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917243	0	39	-1.0	-43.94	320.84	4.70	-39.24
O=C(C1=CC(C2CCC2)=NO1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917243	1	39	-1.0	-43.93	320.90	4.72	-39.21
CC1=CC(C(F)(F)C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CS1	REAL300019917244	0	36	-1.0	-38.00	321.05	5.27	-32.73
CC1=CC(C(F)(F)C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CS1	REAL300019917244	1	36	-1.0	-37.97	321.11	5.28	-32.69
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917245	0	52	-1.0	-48.54	419.74	1.78	-46.76
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917245	1	52	-1.0	-48.59	419.80	1.80	-46.79
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917246	0	52	-1.0	-49.13	414.49	2.27	-46.86
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917246	1	52	-1.0	-49.13	414.55	2.29	-46.84
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)O1	REAL300019917247	0	35	-1.0	-48.90	310.77	0.34	-48.56
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL300019917247	1	35	-1.0	-48.90	310.82	0.36	-48.54
CC1=NN(CC(F)(F)F)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019917248	0	39	-1.0	-49.35	333.86	4.10	-45.25
CC1=NN(CC(F)(F)F)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019917248	1	39	-1.0	-49.38	333.91	4.11	-45.27
[N-]=[N+]=NCCCCCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917249	0	43	-1.0	-40.71	358.19	2.37	-38.34
[N-]=[N+]=NCCCCCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917249	1	43	-1.0	-40.73	358.25	2.39	-38.34
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019917250	0	38	-1.0	-51.62	322.93	1.65	-49.97
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019917250	1	38	-1.0	-51.62	322.99	1.67	-49.95
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917251	0	52	-1.0	-41.06	422.69	4.71	-36.35
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917251	1	52	-1.0	-41.07	422.74	4.73	-36.34
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C(Cl)N=C1Cl	REAL300019917252	0	35	-1.0	-43.70	319.87	4.12	-39.58
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C(Cl)N=C1Cl	REAL300019917252	1	35	-1.0	-43.73	319.82	4.11	-39.62
CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(N=[N+]=[N-])=C1	REAL300019917253	0	38	-1.0	-53.75	324.04	3.04	-50.71
CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(N=[N+]=[N-])=C1	REAL300019917253	1	38	-1.0	-53.75	324.10	3.05	-50.70
CC1=C(C)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C(N2C=NN=N2)S1	REAL300019917254	0	41	-1.0	-52.63	358.91	5.30	-47.33
CC1=C(C)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C(N2C=NN=N2)S1	REAL300019917254	1	41	-1.0	-52.65	358.85	5.29	-47.36
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCC(CC4=N[N-]N=N4)C1)(C2)C3	REAL300019917255	0	53	-1.0	-40.17	377.99	7.25	-32.92
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCC(CC4=NN=N[N-]4)C1)(C2)C3	REAL300019917255	1	53	-1.0	-40.15	378.04	7.27	-32.88
CN1C=C(C(F)(F)C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019917256	0	36	-1.0	-41.10	312.86	3.31	-37.79
CN1C=C(C(F)(F)C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019917256	1	36	-1.0	-41.08	312.80	3.29	-37.79
CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCCNC1=O	REAL300019917257	0	43	-1.0	-39.90	314.80	2.80	-37.10
CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCCNC1=O	REAL300019917257	1	43	-1.0	-39.96	314.86	2.81	-37.15
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CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019917436	1	51	0.0	-60.01	378.57	6.85	-53.16
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CC1=CC(=O)C=C(C)N1CCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921215	0	45	-1.0	-48.04	383.03	7.65	-40.39
CC1=CC(=O)C=C(C)N1CCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921215	1	45	-1.0	-48.01	383.09	7.65	-40.36
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CC(C)(C)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300019921221	1	42	-1.0	-36.31	361.73	8.53	-27.78
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CC(=O)NC(=O)N1	REAL300019921223	1	32	-1.0	-39.23	297.53	-0.59	-39.82
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CON=C1C(F)(F)F	REAL300019921224	0	29	-1.0	-32.87	293.90	4.42	-28.45
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CON=C1C(F)(F)F	REAL300019921224	1	29	-1.0	-32.84	293.86	4.41	-28.43
CN(C)C1=NC(N)=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921225	0	37	-1.0	-40.48	338.43	6.64	-33.84
CN(C)C1=NC(N)=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921225	1	37	-1.0	-40.51	338.38	6.64	-33.87
O=C(C=CCN1CCOCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921226	0	40	-1.0	-36.65	345.99	2.84	-33.81
O=C(C=CCN1CCOCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921226	1	40	-1.0	-36.58	346.03	2.84	-33.74
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2=NN=CN2C1	REAL300019921227	0	36	-1.0	-37.91	317.25	6.79	-31.12
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2=NN=CN2C1	REAL300019921227	1	36	-1.0	-37.92	317.30	6.80	-31.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCCCC(=O)C1	REAL300019921228	0	41	-1.0	-43.68	328.65	6.21	-37.47
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCCCC(=O)C1	REAL300019921228	1	41	-1.0	-43.63	328.69	6.21	-37.42
CC(C)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=C1	REAL300019921229	0	38	-1.0	-40.54	335.88	6.15	-34.39
CC(C)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=C1	REAL300019921229	1	38	-1.0	-40.62	335.84	6.15	-34.47
CN(C)S(=O)(=O)NCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921230	0	36	-1.0	-37.18	334.07	-0.39	-37.57
CN(C)S(=O)(=O)NCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921230	1	36	-1.0	-37.19	334.12	-0.38	-37.57
CC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(Br)S1	REAL300019921231	0	29	-1.0	-39.83	305.15	4.43	-35.40
CC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(Br)S1	REAL300019921231	1	29	-1.0	-39.76	305.19	4.44	-35.32
C=CC(=O)N(CC)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921232	0	37	-1.0	-44.47	333.84	5.25	-39.22
C=CC(=O)N(CC)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921232	1	37	-1.0	-44.44	333.88	5.25	-39.19
O=C(CC1=CN=CC=C1Cl)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921233	0	32	-1.0	-36.78	312.22	5.33	-31.45
O=C(CC1=CN=CC=C1Cl)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921233	1	32	-1.0	-36.77	312.18	5.31	-31.46
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C2NC(=O)NC2=C1	REAL300019921234	0	33	-1.0	-35.89	307.88	2.03	-33.86
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C2NC(=O)NC2=C1	REAL300019921234	1	33	-1.0	-35.83	307.92	2.03	-33.80
CCOC(=O)C(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921235	0	41	-1.0	-35.62	351.57	6.52	-29.10
CCOC(=O)C(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921235	1	41	-1.0	-35.63	351.61	6.51	-29.12
CN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019921236	0	29	-1.0	-44.69	278.33	2.29	-42.40
CN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019921236	1	29	-1.0	-44.69	278.29	2.29	-42.40
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NC(C(F)(F)F)=C1	REAL300019921237	0	32	-1.0	-32.40	313.95	5.35	-27.05
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NC(C(F)(F)F)=C1	REAL300019921237	1	32	-1.0	-32.39	313.91	5.35	-27.04
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1NC(=O)N2	REAL300019921238	0	34	-1.0	-39.36	310.72	2.98	-36.38
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1NC(=O)N2	REAL300019921238	1	34	-1.0	-39.27	310.76	3.00	-36.27
CS(=O)(=O)C1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921239	0	34	-1.0	-49.08	331.12	-0.24	-49.32
CS(=O)(=O)C1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921239	1	34	-1.0	-49.14	331.07	-0.25	-49.39
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL300019921240	0	35	-1.0	-40.28	336.30	2.13	-38.15
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C(OCC(F)F)C=N1	REAL300019921240	1	35	-1.0	-40.22	337.29	2.16	-38.06
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(C2CCOCC2)N=N1	REAL300019921241	0	40	-1.0	-42.78	351.07	3.15	-39.63
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(C2CCOCC2)N=N1	REAL300019921241	1	40	-1.0	-42.81	351.03	3.14	-39.67
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921242	0	44	-1.0	-42.70	385.26	2.99	-39.71
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921242	1	44	-1.0	-42.67	385.31	3.00	-39.67
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300019921243	0	44	-1.0	-38.04	371.82	5.40	-32.64
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300019921243	1	44	-1.0	-37.99	371.87	5.40	-32.59
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CNC(C2=CC=CC=C2)=N1	REAL300019921244	0	37	-1.0	-46.91	340.84	6.41	-40.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CNC(C2=CC=CC=C2)=N1	REAL300019921244	1	37	-1.0	-46.78	340.88	6.42	-40.36
CC1=NSC(C)=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921245	0	32	-1.0	-34.12	308.27	4.80	-29.32
CC1=NSC(C)=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921245	1	32	-1.0	-34.11	308.31	4.80	-29.31
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL300019921246	0	35	-1.0	-43.56	333.17	6.95	-36.61
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1Cl	REAL300019921246	1	35	-1.0	-43.61	333.12	6.94	-36.67
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=NO1	REAL300019921247	0	29	-1.0	-33.15	298.22	4.38	-28.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=NO1	REAL300019921247	1	29	-1.0	-33.08	298.18	4.39	-28.69
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC2=CN=CC=C2S1	REAL300019921248	0	31	-1.0	-39.46	308.41	3.76	-35.70
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC2=CN=CC=C2S1	REAL300019921248	1	31	-1.0	-39.43	308.37	3.76	-35.67
CCOC(=O)C(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(C)=O	REAL300019921249	0	40	-1.0	-39.32	361.66	5.86	-33.46
CCOC(=O)C(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(C)=O	REAL300019921249	1	40	-1.0	-39.29	361.70	5.86	-33.43
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300019921250	0	47	0.0	-54.18	382.52	8.30	-45.88
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC[NH+](C2CCSC2)CC1	REAL300019921250	1	47	0.0	-54.27	382.47	8.29	-45.98
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(C2=CC=CC=C2)OC1=O	REAL300019921251	0	40	-1.0	-40.25	358.27	7.88	-32.37
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(C2=CC=CC=C2)OC1=O	REAL300019921251	1	40	-1.0	-40.25	358.32	7.89	-32.36
CC1=C2SC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC2=CC=C1	REAL300019921252	0	36	-1.0	-39.93	336.61	8.02	-31.91
CC1=C2SC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC2=CC=C1	REAL300019921252	1	36	-1.0	-39.89	336.65	8.02	-31.87
CN1N=NC(Br)=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921253	0	29	-1.0	-30.59	287.78	3.10	-27.49
CN1N=NC(Br)=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921253	1	29	-1.0	-30.60	287.72	3.10	-27.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(CCF)N=C1	REAL300019921254	0	33	-1.0	-37.95	311.42	4.76	-33.19
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(CCF)N=C1	REAL300019921254	1	33	-1.0	-37.97	311.38	4.76	-33.21
CCC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300019921255	0	37	-1.0	-36.58	329.94	4.69	-31.89
CCC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1O	REAL300019921255	1	37	-1.0	-37.13	328.97	4.67	-32.46
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019921256	0	46	0.0	-51.07	382.15	8.82	-42.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019921256	1	46	0.0	-51.13	382.24	8.89	-42.24
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019921256	1	46	0.0	-51.12	382.11	8.82	-42.30
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019921256	1	46	0.0	-51.14	382.20	8.89	-42.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC=C(Br)S1	REAL300019921257	0	26	-1.0	-35.85	288.05	3.86	-31.99
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC=C(Br)S1	REAL300019921257	1	26	-1.0	-35.94	286.99	3.83	-32.11
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1NC(=O)C=C2	REAL300019921258	0	36	-1.0	-44.15	324.71	5.40	-38.75
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1NC(=O)C=C2	REAL300019921258	1	36	-1.0	-44.09	324.76	5.41	-38.68
O=C(CCOC1=CC2=CC=CC=C2C=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921259	0	43	-1.0	-36.84	378.73	8.59	-28.25
O=C(CCOC1=CC2=CC=CC=C2C=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921259	1	43	-1.0	-36.85	378.77	8.60	-28.25
COC(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N1	REAL300019921260	0	34	-1.0	-34.68	321.32	4.32	-30.36
COC(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N1	REAL300019921260	1	34	-1.0	-34.66	321.36	4.33	-30.33
CN1C=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=CN=C21	REAL300019921261	0	35	-1.0	-44.71	320.39	6.62	-38.09
CN1C=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=CN=C21	REAL300019921261	1	35	-1.0	-44.69	320.35	6.60	-38.09
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)CSC2=C1	REAL300019921262	0	36	-1.0	-36.32	338.22	5.03	-31.29
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)CSC2=C1	REAL300019921262	1	36	-1.0	-36.24	337.22	5.01	-31.23
CCCC1=NN=C(SCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N1N	REAL300019921263	0	41	-1.0	-42.19	379.87	5.75	-36.44
CCCC1=NN=C(SCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N1N	REAL300019921263	1	41	-1.0	-42.18	379.91	5.75	-36.43
CCCC1=NC(C)=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019921264	0	38	-1.0	-36.95	339.17	3.58	-33.37
CCCC1=NC(C)=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921264	1	38	-1.0	-36.93	339.21	3.59	-33.34
CC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019921265	0	38	-1.0	-40.21	345.80	7.84	-32.37
CC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019921265	1	38	-1.0	-40.25	345.85	7.84	-32.41
CC1(C)COC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C21	REAL300019921266	0	41	-1.0	-37.20	354.95	6.97	-30.23
CC1(C)COC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C21	REAL300019921266	1	41	-1.0	-37.18	355.00	6.97	-30.21
CC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(Cl)=N1	REAL300019921267	0	35	-1.0	-37.50	333.38	5.84	-31.66
CC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(Cl)=N1	REAL300019921267	1	35	-1.0	-37.45	333.43	5.85	-31.60
CC(C)[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921268	0	45	0.0	-49.29	357.12	7.26	-42.03
CC(C)[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921268	1	45	0.0	-49.33	357.08	7.25	-42.08
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCOC(C2=CC=CC=C2)O1	REAL300019921269	0	42	-1.0	-36.57	359.28	6.94	-29.63
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCOC(C2=CC=CC=C2)O1	REAL300019921269	1	42	-1.0	-36.56	359.32	6.94	-29.62
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1(F)CCOC1	REAL300019921270	0	31	-1.0	-34.71	282.99	3.00	-31.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1(F)CCOC1	REAL300019921270	1	31	-1.0	-34.69	283.04	3.01	-31.68
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1(CCF)CC1	REAL300019921271	0	33	-1.0	-36.63	293.10	5.62	-31.01
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1(CCF)CC1	REAL300019921271	1	33	-1.0	-36.62	293.14	5.63	-30.99
CN1N=NC2=C1CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)CC2	REAL300019921272	0	39	-1.0	-37.96	337.31	4.71	-33.25
CN1N=NC2=C1CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC2	REAL300019921272	1	39	-1.0	-37.93	337.37	4.72	-33.21
COC1=CC=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)NN=C21	REAL300019921273	0	37	-1.0	-38.53	333.71	3.97	-34.56
COC1=CC=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)NN=C21	REAL300019921273	1	37	-1.0	-38.54	333.75	3.98	-34.56
COC1=C2NN=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=CC=C1	REAL300019921273	1	37	-1.0	-42.15	335.59	3.93	-38.22
COC1=C2NN=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=CC=C1	REAL300019921273	1	37	-1.0	-42.15	335.63	3.94	-38.21
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CCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=CN1C	REAL300019921275	0	37	-1.0	-41.94	324.72	6.79	-35.15
CCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=CN1C	REAL300019921275	1	37	-1.0	-41.98	324.76	6.79	-35.19
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CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921277	0	32	-1.0	-31.13	321.36	5.75	-25.38
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921277	1	32	-1.0	-31.14	320.42	5.72	-25.42
CC1=NOC(CN2N=NC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C2C)=C1	REAL300019921278	0	41	-1.0	-45.70	373.51	4.87	-40.83
CC1=NOC(CN2N=NC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C2C)=C1	REAL300019921278	1	41	-1.0	-45.68	373.55	4.87	-40.81
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CC(C)(C)C1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921280	0	40	-1.0	-34.64	350.13	5.98	-28.66
CC(C)(C)C1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921280	1	40	-1.0	-34.69	350.09	5.98	-28.71
CCOC(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921281	0	39	-1.0	-35.26	354.82	7.59	-27.67
CCOC(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921281	1	39	-1.0	-35.26	354.87	7.59	-27.67
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)SC2=CC(F)=CC=C12	REAL300019921282	0	36	-1.0	-38.51	337.34	8.08	-30.43
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CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921285	0	44	-1.0	-38.00	369.79	8.04	-29.96
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921285	1	44	-1.0	-38.02	369.74	8.02	-30.00
CC1=NN=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019921286	0	31	-1.0	-40.83	293.93	-0.42	-41.25
CC1=NN=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921286	1	31	-1.0	-40.77	293.98	-0.42	-41.19
CN1C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NN=C1C1=CC=CC=C1	REAL300019921287	0	42	-1.0	-47.18	373.08	8.01	-39.17
CN1C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NN=C1C1=CC=CC=C1	REAL300019921287	1	42	-1.0	-47.12	373.12	8.01	-39.11
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL300019921289	0	32	-1.0	-33.31	312.14	5.19	-28.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=C1	REAL300019921289	1	32	-1.0	-33.33	312.09	5.19	-28.14
CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCCC1	REAL300019921290	0	39	-1.0	-33.95	319.54	6.75	-27.20
CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCCC1	REAL300019921290	1	39	-1.0	-33.94	319.58	6.76	-27.18
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N#CCCCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921292	0	36	-1.0	-39.79	328.19	6.55	-33.24
N#CCCCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921292	1	36	-1.0	-39.75	328.23	6.55	-33.20
C[C@H](CC1=CC=CC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921293	0	39	-1.0	-35.28	339.48	7.94	-27.34
C[C@H](CC1=CC=CC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921293	1	39	-1.0	-35.27	339.52	7.95	-27.32
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O=C(CC1(C(F)(F)F)CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921295	1	33	-1.0	-36.51	306.75	6.01	-30.50
CCOC1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019921296	0	37	-1.0	-36.93	323.86	4.88	-32.05
CCOC1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019921296	1	37	-1.0	-36.91	323.91	4.89	-32.02
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COC(C)(C)C1=NC(C)=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019921299	0	42	-1.0	-37.51	368.95	4.53	-32.98
COC(C)(C)C1=NC(C)=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019921299	1	42	-1.0	-37.45	368.99	4.52	-32.93
CC1=CC(C(F)(F)F)=NN1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921300	0	36	-1.0	-35.93	346.19	5.56	-30.37
CC1=CC(C(F)(F)F)=NN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921300	1	36	-1.0	-35.92	346.23	5.57	-30.35
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CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921302	0	37	-1.0	-38.60	334.24	5.82	-32.78
CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921302	1	37	-1.0	-38.62	334.19	5.82	-32.80
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O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL300019921303	1	36	-1.0	-36.64	324.62	6.21	-30.43
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC2=NC=CC=C2C=C1	REAL300019921304	0	34	-1.0	-51.90	315.63	5.47	-46.43
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC2=NC=CC=C2C=C1	REAL300019921304	1	34	-1.0	-51.92	315.59	5.47	-46.45
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)NC(=O)N1	REAL300019921305	0	31	-1.0	-39.00	288.42	1.33	-37.67
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)NC(=O)N1	REAL300019921305	1	31	-1.0	-39.02	288.46	1.33	-37.69
CC1=NN=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N1	REAL300019921306	0	32	-1.0	-42.86	297.03	3.91	-38.95
CC1=NN=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N1	REAL300019921306	1	32	-1.0	-42.83	297.08	3.91	-38.92
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCNC1=O	REAL300019921307	1	31	-1.0	-44.00	283.50	1.27	-42.73
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NNC(C(F)F)=C1	REAL300019921308	0	30	-1.0	-41.41	295.11	3.23	-38.18
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NNC(C(F)F)=C1	REAL300019921308	1	30	-1.0	-41.42	295.15	3.23	-38.19
CN(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC1	REAL300019921309	0	38	-1.0	-34.47	321.77	4.16	-30.31
C[N@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019921309	1	39	0.0	-41.97	324.56	6.41	-35.56
C[N@@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019921309	1	39	0.0	-42.84	324.69	6.42	-36.42
CN(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019921309	1	38	-1.0	-34.50	321.82	4.16	-30.34
O=C(C=CC1=NC=CN1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921310	0	31	-1.0	-41.84	295.14	4.14	-37.70
O=C(C=CC1=NC=CN1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921310	1	31	-1.0	-41.77	295.19	4.14	-37.63
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N1C=NC2=C(N)N=CN=C21	REAL300019921311	0	39	-1.0	-39.47	352.42	5.60	-33.87
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N1C=NC2=C(N)N=CN=C21	REAL300019921311	1	39	-1.0	-39.50	352.37	5.60	-33.90
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921312	0	44	-1.0	-35.62	379.39	6.53	-29.09
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921312	1	44	-1.0	-35.61	379.43	6.53	-29.08
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2=NN=NN2CC1	REAL300019921313	0	38	-1.0	-38.16	327.26	4.37	-33.79
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2=NN=NN2CC1	REAL300019921313	1	38	-1.0	-38.20	327.30	4.37	-33.83
CC1(C2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)S2)OCCO1	REAL300019921314	0	38	-1.0	-39.15	354.59	3.47	-35.68
CC1(C2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)S2)OCCO1	REAL300019921314	1	38	-1.0	-39.17	354.55	3.47	-35.70
CC(CC1=CNC=N1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921315	0	36	-1.0	-41.29	320.60	5.52	-35.77
CC(CC1=CNC=N1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921315	1	36	-1.0	-41.28	320.65	5.53	-35.75
O=C(CCCC(O)C1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921316	0	43	-1.0	-37.45	374.54	5.91	-31.54
O=C(CCCC(O)C1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921316	1	43	-1.0	-37.43	374.58	5.91	-31.52
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CN(C(=O)C2CCCCC2)C1	REAL300019921317	0	47	-1.0	-35.23	392.41	6.70	-28.53
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CN(C(=O)C2CCCCC2)C1	REAL300019921317	1	47	-1.0	-35.20	392.45	6.70	-28.50
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921318	0	41	-1.0	-38.60	359.26	7.30	-31.30
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921318	1	41	-1.0	-38.59	359.30	7.30	-31.29
O=C(CC1CCC(=O)NC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921319	0	37	-1.0	-37.61	319.69	2.95	-34.66
O=C(CC1CCC(=O)NC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921319	1	37	-1.0	-37.67	319.74	2.96	-34.71
CC(C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL300019921320	0	39	-1.0	-35.95	353.18	8.18	-27.77
CC(C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL300019921320	1	39	-1.0	-35.94	353.22	8.18	-27.76
O=C(COCC1CCCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921321	0	40	-1.0	-35.88	341.75	6.63	-29.25
O=C(COCC1CCCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921321	1	40	-1.0	-35.87	341.80	6.64	-29.23
O=C(CC1CC2CCC1O2)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921322	0	38	-1.0	-35.02	319.60	4.85	-30.17
O=C(CC1CC2CCC1O2)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921322	1	38	-1.0	-34.99	319.64	4.86	-30.13
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCN2C=CN=C2C1	REAL300019921323	0	37	-1.0	-38.98	322.82	6.13	-32.85
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCN2C=CN=C2C1	REAL300019921323	1	37	-1.0	-39.00	322.86	6.14	-32.86
CC1=NC2=CC=CC=C2C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921324	0	38	-1.0	-36.37	335.55	7.05	-29.32
CC1=NC2=CC=CC=C2C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921324	1	38	-1.0	-36.32	335.60	7.05	-29.27
CC1(C)CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921325	0	40	-1.0	-36.56	330.07	7.17	-29.39
CC1(C)CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921325	1	40	-1.0	-36.55	330.12	7.17	-29.38
CC1CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921326	0	37	-1.0	-36.37	314.09	6.81	-29.56
CC1CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921326	1	37	-1.0	-36.33	314.14	6.82	-29.51
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019921327	0	41	-1.0	-37.43	349.32	7.18	-30.25
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019921327	1	41	-1.0	-37.46	349.37	7.18	-30.28
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL300019921328	0	35	-1.0	-37.60	300.91	4.14	-33.46
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL300019921328	1	35	-1.0	-37.59	300.96	4.15	-33.44
O=C(COCC1=CC=CC(Cl)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921329	0	37	-1.0	-37.06	354.06	7.49	-29.57
O=C(COCC1=CC=CC(Cl)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921329	1	37	-1.0	-37.05	354.10	7.49	-29.56
CC(CC1=CN(C)N=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921330	0	39	-1.0	-38.10	343.26	5.69	-32.41
CC(CC1=CN(C)N=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921330	1	39	-1.0	-38.13	343.21	5.69	-32.44
CC(C)CCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921331	0	41	-1.0	-34.17	346.40	7.32	-26.85
CC(C)CCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921331	1	41	-1.0	-34.15	346.44	7.32	-26.83
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CO1	REAL300019921332	0	27	-1.0	-35.55	284.14	4.64	-30.91
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CO1	REAL300019921332	1	27	-1.0	-35.55	283.17	4.61	-30.94
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL300019921333	0	36	-1.0	-40.92	307.86	6.93	-33.99
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL300019921333	1	36	-1.0	-40.91	307.90	6.93	-33.98
CN1C(=O)CCC1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921334	0	37	-1.0	-36.62	324.20	4.45	-32.17
CN1C(=O)CCC1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921334	1	37	-1.0	-36.62	324.24	4.45	-32.17
O=C(CC1CC(=O)N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921335	0	31	-1.0	-39.45	287.19	0.99	-38.46
O=C(CC1CC(=O)N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921335	1	31	-1.0	-39.40	287.23	0.99	-38.41
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(C)N1NC(N)=O	REAL300019921336	0	40	-1.0	-46.49	352.28	2.50	-43.99
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(C)N1NC(N)=O	REAL300019921336	1	40	-1.0	-46.50	352.39	2.51	-43.99
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCOC(=O)N1	REAL300019921337	0	32	-1.0	-36.76	292.49	1.40	-35.36
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCOC(=O)N1	REAL300019921337	1	32	-1.0	-36.73	292.54	1.39	-35.34
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC(=O)N1	REAL300019921338	0	37	-1.0	-41.65	319.17	2.97	-38.68
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC(=O)N1	REAL300019921338	1	37	-1.0	-41.64	319.21	2.97	-38.67
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CSC(CO)=N1	REAL300019921339	0	30	-1.0	-44.48	298.82	0.35	-44.13
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CSC(CO)=N1	REAL300019921339	1	30	-1.0	-43.76	297.82	0.34	-43.42
CCON1CCC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921340	0	45	-1.0	-35.35	373.85	5.68	-29.67
CCON1CCC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921340	1	45	-1.0	-35.23	374.91	5.71	-29.52
O=C(CCC1=CNN=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921341	0	33	-1.0	-37.73	303.12	3.93	-33.80
O=C(CCC1=CNN=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921341	1	33	-1.0	-37.74	303.08	3.93	-33.81
CCC1=NN=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019921342	0	31	-1.0	-41.10	303.84	3.49	-37.61
CCC1=NN=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019921342	1	31	-1.0	-41.09	303.88	3.49	-37.60
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC1	REAL300019921343	0	36	-1.0	-34.48	307.95	6.32	-28.16
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019921343	1	36	-1.0	-34.51	307.99	6.32	-28.19
O=C(CC1=CC=CC=C1OC1CCCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921344	0	47	-1.0	-39.38	396.28	8.94	-30.44
O=C(CC1=CC=CC=C1OC1CCCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921344	1	47	-1.0	-39.40	396.32	8.94	-30.46
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NC=C1C#N	REAL300019921345	0	33	-1.0	-37.73	314.67	5.17	-32.56
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NC=C1C#N	REAL300019921345	1	33	-1.0	-37.71	314.71	5.17	-32.54
CCC(CC(F)F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921346	0	35	-1.0	-36.61	308.99	6.23	-30.38
CCC(CC(F)F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921346	1	35	-1.0	-36.87	309.68	6.25	-30.62
CCC(C)(C)OCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921347	0	39	-1.0	-36.15	328.53	5.71	-30.44
CCC(C)(C)OCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921347	1	39	-1.0	-36.13	328.57	5.71	-30.42
CC(C)(C)C1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019921348	0	42	-1.0	-34.67	342.10	7.19	-27.48
CC(C)(C)C1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019921348	1	42	-1.0	-34.66	342.14	7.20	-27.46
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921349	0	41	-1.0	-36.59	360.90	9.26	-27.33
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921349	1	41	-1.0	-36.58	360.94	9.27	-27.31
CC1=CC(Br)=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019921350	0	30	-1.0	-35.81	309.83	6.42	-29.39
CC1=CC(Br)=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019921350	1	30	-1.0	-35.81	309.86	6.43	-29.38
COC(=O)C1=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)OC=N1	REAL300019921351	0	38	-1.0	-40.02	352.83	2.79	-37.23
COC(=O)C1=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)OC=N1	REAL300019921351	1	38	-1.0	-39.99	352.79	2.78	-37.21
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C[NH+](C2CCCCC2)C1	REAL300019921352	0	46	0.0	-47.73	370.83	7.75	-39.98
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1C[NH+](C2CCCCC2)C1	REAL300019921352	1	46	0.0	-46.38	369.78	7.71	-38.67
NS(=O)(=O)CCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921353	0	34	-1.0	-45.42	321.06	-0.52	-45.94
NS(=O)(=O)CCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921353	1	34	-1.0	-45.38	321.10	-0.52	-45.90
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921354	0	35	-2.0	-101.06	336.64	0.37	-100.69
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921354	1	35	-2.0	-101.02	336.68	0.37	-100.65
CC(C)(C)C#CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921355	0	34	-1.0	-37.64	312.35	6.27	-31.37
CC(C)(C)C#CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921355	1	34	-1.0	-37.58	312.40	6.27	-31.31
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C2C=CC=NN12	REAL300019921356	0	32	-1.0	-43.42	300.13	4.90	-38.52
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C2C=CC=NN12	REAL300019921356	1	32	-1.0	-43.43	300.09	4.90	-38.53
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921357	0	50	0.0	-51.99	388.65	5.20	-46.79
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921357	1	50	0.0	-52.00	388.70	5.21	-46.79
CCC1(CN2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N=N2)COC1	REAL300019921358	0	43	-1.0	-45.74	370.61	3.81	-41.93
CCC1(CN2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N=N2)COC1	REAL300019921358	1	43	-1.0	-45.75	370.57	3.79	-41.96
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921359	0	53	0.0	-51.66	415.28	6.40	-45.26
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921359	1	53	0.0	-51.65	415.31	6.40	-45.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL300019921360	0	31	-1.0	-38.02	309.68	3.33	-34.69
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=N1	REAL300019921360	1	31	-1.0	-38.18	308.63	3.30	-34.88
CC1=NON=C1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921361	0	31	-1.0	-36.08	295.08	3.20	-32.88
CC1=NON=C1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921361	1	31	-1.0	-36.07	295.13	3.21	-32.86
CC(C)(C)OC(=O)N1CCC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921362	0	44	-1.0	-44.47	373.31	5.94	-38.53
CC(C)(C)OC(=O)N1CCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921362	1	44	-1.0	-44.48	373.35	5.94	-38.54
CNC1=NC=NC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300019921363	0	39	-1.0	-38.45	348.09	6.20	-32.25
CNC1=NC=NC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300019921363	1	39	-1.0	-38.50	348.05	6.20	-32.30
CN1N=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300019921364	0	30	-1.0	-38.75	304.26	4.22	-34.53
CN1N=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300019921364	1	30	-1.0	-38.80	304.22	4.22	-34.58
COC1=CC(Cl)=C(F)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921365	0	34	-1.0	-37.50	327.39	5.83	-31.67
COC1=CC(Cl)=C(F)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921365	1	34	-1.0	-37.49	327.43	5.83	-31.66
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921366	0	40	-1.0	-37.57	362.69	7.80	-29.77
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921366	1	40	-1.0	-37.51	362.73	7.81	-29.70
CC1=CN(C)N=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921367	0	33	-1.0	-43.99	302.35	4.47	-39.52
CC1=CN(C)N=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921367	1	33	-1.0	-44.00	302.31	4.47	-39.53
C[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N1C(=O)C2=CC=CC=C2C1=O	REAL300019921368	0	40	-1.0	-44.05	360.86	6.95	-37.10
C[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300019921368	1	40	-1.0	-44.04	360.90	6.96	-37.08
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL300019921369	0	39	-1.0	-37.77	343.23	5.80	-31.97
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL300019921369	1	39	-1.0	-38.13	342.16	5.76	-32.37
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300019921370	0	39	-1.0	-39.61	337.34	8.80	-30.81
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300019921370	1	39	-1.0	-39.57	337.39	8.80	-30.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300019921371	0	37	-1.0	-36.51	330.75	8.02	-28.49
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300019921371	1	37	-1.0	-36.49	330.80	8.02	-28.47
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC1(F)C1=CC=CC=C1	REAL300019921372	0	37	-1.0	-37.95	333.51	8.01	-29.94
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC1(F)C1=CC=CC=C1	REAL300019921372	1	37	-1.0	-37.98	333.56	8.01	-29.97
CC1=CC=CC2=C1OC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C2	REAL300019921373	0	38	-1.0	-37.14	337.69	7.39	-29.75
CC1=CC=CC2=C1OC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C2	REAL300019921373	1	38	-1.0	-37.10	337.73	7.40	-29.70
CN1C=C(C2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)O2)C=N1	REAL300019921374	0	37	-1.0	-40.25	346.13	5.62	-34.63
CN1C=C(C2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)O2)C=N1	REAL300019921374	1	37	-1.0	-40.20	346.09	5.62	-34.58
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O=C(CC1=CC2=CC(Cl)=CC=C2N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921378	0	37	-1.0	-35.65	351.54	7.07	-28.58
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921378	1	37	-1.0	-35.68	351.58	7.09	-28.59
CC(C)CC1=CNC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921379	0	40	-1.0	-35.46	347.51	6.43	-29.03
CC(C)CC1=CNC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921379	1	40	-1.0	-35.47	347.54	6.44	-29.03
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921380	0	40	-1.0	-35.81	353.12	7.57	-28.24
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921380	1	40	-1.0	-35.83	353.07	7.57	-28.26
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CC1=CC(N(C)C)=CC(C)=C1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921382	0	47	-1.0	-37.37	388.33	8.12	-29.25
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921382	1	47	-1.0	-37.41	388.37	8.13	-29.28
C[NH+](C)CCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921383	0	42	0.0	-63.31	362.79	5.92	-57.39
C[NH+](C)CCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921383	1	42	0.0	-63.28	362.75	5.91	-57.37
CCC(CC(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921384	0	41	-1.0	-34.32	335.24	6.78	-27.54
CCC(CC(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921384	1	41	-1.0	-34.33	335.29	6.78	-27.55
CCC(O)(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019921385	0	43	-1.0	-37.23	359.65	6.50	-30.73
CCC(O)(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019921385	1	43	-1.0	-37.17	359.69	6.51	-30.66
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)NC2=C(Cl)C=CC=C12	REAL300019921386	0	37	-1.0	-37.76	345.34	7.10	-30.66
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)NC2=C(Cl)C=CC=C12	REAL300019921386	1	37	-1.0	-37.75	345.38	7.10	-30.65
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CC(=O)C1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019921388	0	31	-1.0	-36.44	309.20	3.82	-32.62
CC(=O)C1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019921388	1	31	-1.0	-36.44	309.23	3.83	-32.61
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CN1N=CC(Br)=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921389	1	30	-1.0	-32.55	292.24	4.59	-27.96
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CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N(C)N=C1	REAL300019921392	0	33	-1.0	-33.72	290.52	4.63	-29.09
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N(C)N=C1	REAL300019921392	1	33	-1.0	-33.73	290.47	4.63	-29.10
COCC(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921393	0	39	-1.0	-34.38	327.63	4.79	-29.59
COCC(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921393	1	39	-1.0	-34.32	327.67	4.79	-29.53
CCCCCCOC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921394	0	45	-1.0	-35.61	382.88	7.76	-27.85
CCCCCCOC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921394	1	45	-1.0	-35.56	382.93	7.76	-27.80
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC(F)CC1	REAL300019921395	0	36	-1.0	-35.53	308.57	6.25	-29.28
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC(F)CC1	REAL300019921395	1	36	-1.0	-35.53	308.62	6.26	-29.27
CCC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921396	0	35	-1.0	-42.20	317.72	5.69	-36.51
CCC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921396	1	35	-1.0	-42.16	317.77	5.69	-36.47
O=C(CC1CSC2=CC=CC=C2O1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921397	0	39	-1.0	-39.26	354.53	7.91	-31.35
O=C(CC1CSC2=CC=CC=C2O1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921397	1	39	-1.0	-39.29	354.57	7.91	-31.38
O=C(CC1CC(F)(F)C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921398	0	33	-1.0	-35.00	302.98	5.90	-29.10
O=C(CC1CC(F)(F)C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921398	1	33	-1.0	-35.00	303.02	5.90	-29.10
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=C1C	REAL300019921399	0	35	-1.0	-42.18	314.09	5.44	-36.74
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=C1C	REAL300019921399	1	35	-1.0	-42.15	314.13	5.44	-36.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC2=CC=NC=C2C=C1	REAL300019921400	0	34	-1.0	-43.38	315.58	4.62	-38.76
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC2=CC=NC=C2C=C1	REAL300019921400	1	34	-1.0	-43.15	316.54	4.66	-38.49
C[C@]1(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL300019921401	0	40	-1.0	-35.68	342.84	8.42	-27.26
C[C@]1(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL300019921401	1	40	-1.0	-35.63	342.88	8.43	-27.20
CC1=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)SC=N1	REAL300019921402	0	35	-1.0	-35.59	327.20	5.20	-30.39
CC1=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)SC=N1	REAL300019921402	1	35	-1.0	-35.54	327.25	5.20	-30.34
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL300019921403	0	43	-1.0	-38.70	381.01	10.45	-28.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL300019921403	1	43	-1.0	-38.71	381.06	10.45	-28.26
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019921404	1	49	0.0	-58.55	397.16	9.73	-48.82
CC1=CC=CC=C1N1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019921405	0	39	-1.0	-43.96	354.60	6.51	-37.45
CC1=CC=CC=C1N1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019921405	1	39	-1.0	-43.81	356.39	6.59	-37.22
CCOC1=CC=C(CC(C)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921406	0	46	-1.0	-36.10	390.26	8.15	-27.95
CCOC1=CC=C(CC(C)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921406	1	46	-1.0	-36.14	390.30	8.15	-27.99
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2=CC=CC=C2O1	REAL300019921407	0	38	-1.0	-37.32	334.11	7.55	-29.77
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2=CC=CC=C2O1	REAL300019921407	1	38	-1.0	-37.38	334.16	7.56	-29.82
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL300019921408	0	39	-1.0	-36.56	358.98	8.69	-27.87
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL300019921408	1	39	-1.0	-36.57	359.02	8.71	-27.86
CC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300019921409	0	44	-1.0	-36.61	363.60	7.85	-28.76
CC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300019921409	1	44	-1.0	-36.59	363.62	7.86	-28.73
CCCN1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1=O	REAL300019921410	0	40	-1.0	-36.32	348.75	5.33	-30.99
CCCN1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1=O	REAL300019921410	1	40	-1.0	-36.30	348.79	5.33	-30.97
CC(OC1=CC=CC=N1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921411	0	36	-1.0	-39.51	328.64	4.79	-34.72
CC(OC1=CC=CC=N1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921411	1	36	-1.0	-39.47	328.59	4.78	-34.69
CN1N=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C2=C1CCCC2	REAL300019921412	0	40	-1.0	-45.07	344.44	6.15	-38.92
CN1N=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C2=C1CCCC2	REAL300019921412	1	40	-1.0	-44.99	344.49	6.15	-38.84
CCC(CC)OC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921413	0	46	-1.0	-36.10	381.61	8.21	-27.89
CCC(CC)OC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921413	1	46	-1.0	-35.92	383.20	8.26	-27.66
O=C(CC1=CC=CC=C1OC1CCOC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921414	0	45	-1.0	-42.98	387.67	6.37	-36.61
O=C(CC1=CC=CC=C1OC1CCOC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921414	1	45	-1.0	-42.93	387.72	6.37	-36.56
COC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=NN1C	REAL300019921415	0	34	-1.0	-39.64	315.56	3.00	-36.64
COC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=NN1C	REAL300019921415	1	34	-1.0	-39.67	315.51	2.98	-36.69
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921416	0	38	-1.0	-37.39	351.60	8.40	-28.99
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921416	1	38	-1.0	-37.39	351.64	8.42	-28.97
COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019921417	0	39	-1.0	-38.98	340.05	6.17	-32.81
COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019921417	1	39	-1.0	-38.92	340.10	6.18	-32.74
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CSC(C2CCCCC2)=N1	REAL300019921418	0	42	-1.0	-41.75	369.16	6.91	-34.84
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CSC(C2CCCCC2)=N1	REAL300019921418	1	42	-1.0	-41.67	369.21	6.91	-34.76
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL300019921419	0	37	-1.0	-34.38	347.50	8.54	-25.84
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL300019921419	1	37	-1.0	-34.39	347.54	8.55	-25.84
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921420	0	41	-1.0	-38.46	359.14	7.36	-31.10
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921420	1	41	-1.0	-38.44	359.19	7.37	-31.07
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL300019921421	0	29	-1.0	-36.08	282.31	4.83	-31.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL300019921421	1	29	-1.0	-36.08	282.35	4.83	-31.25
CCC1=CC=CC=C1N1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019921422	0	42	-1.0	-44.02	369.06	7.15	-36.87
CCC1=CC=CC=C1N1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019921422	1	42	-1.0	-44.18	370.05	7.17	-37.01
CC1=CC(Cl)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921423	0	32	-1.0	-35.16	306.16	5.32	-29.84
CC1=CC(Cl)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921423	1	32	-1.0	-35.18	306.20	5.32	-29.86
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019921424	0	36	-1.0	-42.58	338.16	5.25	-37.33
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019921424	1	36	-1.0	-42.64	338.20	5.25	-37.39
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CN=C2)N=N1	REAL300019921425	0	35	-1.0	-43.37	329.52	3.90	-39.47
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CN=C2)N=N1	REAL300019921425	1	35	-1.0	-43.41	330.52	3.91	-39.50
O=C(CC1=CC=CC(C2CC2)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921426	0	40	-1.0	-36.43	352.06	8.77	-27.66
O=C(CC1=CC=CC(C2CC2)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921426	1	40	-1.0	-36.40	352.10	8.78	-27.62
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019921427	0	31	-1.0	-44.22	291.14	3.72	-40.50
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019921427	1	31	-1.0	-44.19	291.18	3.73	-40.46
CCCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=CN1	REAL300019921428	0	37	-1.0	-40.83	325.57	5.93	-34.90
CCCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=CN1	REAL300019921428	1	37	-1.0	-40.77	325.62	5.93	-34.84
CC(C)=CCOC1=CC=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921429	0	47	-1.0	-39.03	406.52	8.93	-30.10
CC(C)=CCOC1=CC=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921429	1	47	-1.0	-39.03	406.57	8.94	-30.09
COC(CC(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921430	0	39	-1.0	-34.44	334.82	5.81	-28.63
COC(CC(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921430	1	39	-1.0	-34.38	334.87	5.81	-28.57
COCCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019921431	0	36	-1.0	-43.08	333.58	2.22	-40.86
COCCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019921431	1	36	-1.0	-43.09	333.53	2.22	-40.87
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1SCCCS1	REAL300019921432	0	32	-1.0	-39.04	303.59	5.99	-33.05
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1SCCCS1	REAL300019921432	1	32	-1.0	-38.99	303.63	5.99	-33.00
COC1=CC=C2ON=C(CC(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=C1	REAL300019921433	0	39	-1.0	-41.83	355.74	5.28	-36.55
COC1=CC=C2ON=C(CC(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=C1	REAL300019921433	1	39	-1.0	-41.80	355.79	5.29	-36.51
O=C(CC1=NOC2=CC=C(F)C=C21)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921434	0	35	-1.0	-39.44	332.69	6.06	-33.38
O=C(CC1=NOC2=CC=C(F)C=C21)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921434	1	35	-1.0	-39.46	332.74	6.07	-33.39
COC1CCCCN(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1=O	REAL300019921435	0	44	-1.0	-42.32	367.15	5.78	-36.54
COC1CCCCN(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1=O	REAL300019921435	1	44	-1.0	-42.33	367.19	5.79	-36.54
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019921436	0	33	-1.0	-44.66	332.96	2.60	-42.06
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019921436	1	33	-1.0	-44.64	333.00	2.60	-42.04
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2CC2C1	REAL300019921437	0	37	-1.0	-34.10	310.49	6.86	-27.24
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2CC2C1	REAL300019921437	1	37	-1.0	-34.09	310.54	6.87	-27.22
CN1N=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300019921438	0	39	-1.0	-41.92	352.79	6.54	-35.38
CN1N=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300019921438	1	39	-1.0	-41.91	352.84	6.55	-35.36
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921439	0	38	-1.0	-43.23	337.39	7.84	-35.39
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921439	1	38	-1.0	-43.18	337.44	7.84	-35.34
CC(C)(C)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=C1	REAL300019921440	0	41	-1.0	-40.42	351.98	6.56	-33.86
CC(C)(C)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=C1	REAL300019921440	1	41	-1.0	-40.46	351.94	6.56	-33.90
CC1=C(F)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921441	0	33	-1.0	-34.36	298.23	6.68	-27.68
CC1=C(F)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921441	1	33	-1.0	-34.33	298.27	6.69	-27.64
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL300019921442	0	40	-1.0	-37.58	351.34	8.12	-29.46
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL300019921442	1	40	-1.0	-37.44	351.08	8.10	-29.34
CC1CCC(C)(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300019921443	0	49	-1.0	-35.61	381.59	8.54	-27.07
CC1CCC(C)(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300019921443	1	49	-1.0	-35.54	381.63	8.55	-26.99
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019921444	0	33	-2.0	-93.47	319.95	6.44	-87.03
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019921444	1	33	-2.0	-93.45	319.99	6.45	-87.00
CN1C=NC=C1C=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921445	0	34	-1.0	-40.68	313.76	6.35	-34.33
CN1C=NC=C1C=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921445	1	34	-1.0	-40.68	313.80	6.35	-34.33
CC(=O)NC(=CC1=CC=CS1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921446	0	38	-1.0	-43.86	352.32	6.66	-37.20
CC(=O)NC(=CC1=CC=CS1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921446	1	38	-1.0	-43.85	352.37	6.67	-37.18
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019921447	0	35	-2.0	-81.84	334.92	3.68	-78.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019921447	1	35	-2.0	-81.83	334.96	3.68	-78.15
COC(=O)C1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921448	0	35	-1.0	-41.86	329.63	4.93	-36.93
COC(=O)C1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921448	1	35	-1.0	-41.84	329.59	4.93	-36.91
CNC1=CC=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921449	0	35	-1.0	-37.37	324.71	5.29	-32.08
CNC1=CC=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921449	1	35	-1.0	-37.31	324.76	5.29	-32.02
CCOC(=O)C(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019921450	0	42	-1.0	-43.59	374.77	8.38	-35.21
CCOC(=O)C(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019921450	1	42	-1.0	-43.60	374.78	8.38	-35.22
CC1=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NN1C	REAL300019921451	0	33	-1.0	-43.20	317.90	4.76	-38.44
CC1=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NN1C	REAL300019921451	1	33	-1.0	-43.16	317.95	4.76	-38.40
CN1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCC1=O	REAL300019921452	0	37	-1.0	-35.80	320.47	4.22	-31.58
CN1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCC1=O	REAL300019921452	1	37	-1.0	-35.78	320.52	4.23	-31.55
CCN1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCC1=O	REAL300019921453	0	40	-1.0	-35.79	341.87	5.20	-30.59
CCN1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCC1=O	REAL300019921453	1	40	-1.0	-35.71	341.91	5.21	-30.50
O=C(CC1=NSC2=CC=CC=C21)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921454	0	35	-1.0	-41.02	333.58	6.65	-34.37
O=C(CC1=NSC2=CC=CC=C21)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921454	1	35	-1.0	-40.97	333.64	6.67	-34.30
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N1C=CC=N1	REAL300019921455	0	36	-1.0	-35.32	319.86	5.15	-30.17
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N1C=CC=N1	REAL300019921455	1	36	-1.0	-35.35	319.82	5.14	-30.21
C=CC(=O)N(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921456	0	34	-1.0	-45.01	312.03	4.28	-40.73
C=CC(=O)N(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921456	1	34	-1.0	-44.99	312.07	4.28	-40.71
O=C(CC1=NN=CN1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921457	0	29	-1.0	-42.66	276.07	4.08	-38.58
O=C(CC1=NN=CN1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921457	1	29	-1.0	-42.63	276.11	4.09	-38.54
CCOCN1N=C(C)C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1C	REAL300019921458	0	46	-1.0	-39.53	399.44	4.95	-34.58
CCOCN1N=C(C)C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1C	REAL300019921458	1	46	-1.0	-39.53	399.48	4.96	-34.57
O=C(CC1CS(=O)(=O)C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921459	0	33	-1.0	-40.93	309.64	1.66	-39.27
O=C(CC1CS(=O)(=O)C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921459	1	33	-1.0	-40.97	309.68	1.66	-39.31
CC(=CC1CCC(C)CC1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921460	0	46	-1.0	-35.35	367.77	8.68	-26.67
CC(=CC1CCC(C)CC1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921460	1	46	-1.0	-35.34	367.81	8.68	-26.66
COC1=NSC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921461	0	30	-1.0	-33.98	298.82	1.85	-32.13
COC1=NSC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921461	1	30	-1.0	-34.02	298.78	1.84	-32.18
COC1=CC2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N2C=C1	REAL300019921462	0	37	-1.0	-39.76	333.37	5.63	-34.13
COC1=CC2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N2C=C1	REAL300019921462	1	37	-1.0	-39.75	333.33	5.63	-34.12
COC1=CC=CC(S(=O)CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921463	0	39	-1.0	-46.13	361.86	4.03	-42.10
COC1=CC=CC(S(=O)CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921463	1	39	-1.0	-46.09	361.90	4.03	-42.06
CC1=C(Br)C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019921464	0	30	-1.0	-34.49	311.56	6.37	-28.12
CC1=C(Br)C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019921464	1	30	-1.0	-34.49	311.61	6.36	-28.13
CC1=C2OC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=CC=C1	REAL300019921465	0	36	-1.0	-38.02	327.34	6.98	-31.04
CC1=C2OC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=CC=C1	REAL300019921465	1	36	-1.0	-37.99	327.38	6.99	-31.00
CCC(CC1=CC=CC=C1C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921466	0	45	-1.0	-34.80	369.33	8.80	-26.00
CCC(CC1=CC=CC=C1C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921466	1	45	-1.0	-34.73	369.61	8.82	-25.91
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)=C1CCC1	REAL300019921467	0	31	-1.0	-38.06	287.62	5.78	-32.28
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)=C1CCC1	REAL300019921467	1	31	-1.0	-38.02	287.67	5.78	-32.24
CNC1=CN=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921468	0	33	-1.0	-40.38	305.21	2.07	-38.31
CNC1=CN=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921468	1	33	-1.0	-40.43	305.17	2.06	-38.37
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921469	0	39	-1.0	-40.33	353.81	9.66	-30.67
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921469	1	39	-1.0	-40.36	353.76	9.65	-30.71
CC1CCCCC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921470	0	39	-1.0	-34.24	319.98	6.80	-27.44
CC1CCCCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921470	1	39	-1.0	-34.22	320.00	6.80	-27.42
O=C(CCC1=CC=CC(OC(F)F)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921471	0	40	-1.0	-37.56	363.50	7.06	-30.50
O=C(CCC1=CC=CC(OC(F)F)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921471	1	40	-1.0	-37.51	363.55	7.07	-30.44
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C(Br)O1	REAL300019921472	0	30	-1.0	-34.58	301.60	5.50	-29.08
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C(Br)O1	REAL300019921472	1	30	-1.0	-34.55	301.64	5.51	-29.04
C=CCCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019921473	0	36	-1.0	-43.41	334.21	4.48	-38.93
C=CCCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019921473	1	36	-1.0	-43.45	334.17	4.47	-38.98
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC2=CN=CC=C2C=C1	REAL300019921474	0	34	-1.0	-43.02	315.60	4.65	-38.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC2=CN=CC=C2C=C1	REAL300019921474	1	34	-1.0	-43.01	315.55	4.65	-38.36
CC(=O)NC1=CC=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921475	0	40	-1.0	-39.96	357.44	5.54	-34.42
CC(=O)NC1=CC=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921475	1	40	-1.0	-39.97	357.49	5.54	-34.43
NC1=NN(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921476	0	31	-1.0	-40.45	293.27	5.13	-35.32
NC1=NN(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921476	1	31	-1.0	-40.44	293.22	5.11	-35.33
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCC(F)C1	REAL300019921477	0	36	-1.0	-34.30	309.62	6.30	-28.00
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC(F)C1	REAL300019921477	1	36	-1.0	-34.28	309.66	6.31	-27.97
COC(=O)N1CC2CCC1C(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C2	REAL300019921478	0	45	-1.0	-42.59	371.36	6.53	-36.06
COC(=O)N1CC2CCC1C(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C2	REAL300019921478	1	45	-1.0	-42.61	371.42	6.53	-36.08
COC(=O)N1CC2C=CC1C(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C2	REAL300019921479	0	43	-1.0	-41.33	365.65	5.74	-35.59
COC(=O)N1CC2C=CC1C(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C2	REAL300019921479	1	43	-1.0	-41.35	365.69	5.74	-35.61
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921480	0	44	-1.0	-39.62	375.82	5.08	-34.54
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921480	1	44	-1.0	-39.60	375.85	5.09	-34.51
CC(C)(C)N1N=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1N	REAL300019921481	0	41	-1.0	-39.72	346.10	4.83	-34.89
CC(C)(C)N1N=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1N	REAL300019921481	1	41	-1.0	-39.77	346.06	4.82	-34.95
CN1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)NC1=O	REAL300019921482	0	33	-1.0	-38.40	299.67	1.42	-36.98
CN1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)NC1=O	REAL300019921482	1	33	-1.0	-38.39	299.71	1.42	-36.97
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CC(O)=C21	REAL300019921483	0	37	-1.0	-41.07	332.52	6.67	-34.40
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CC(O)=C21	REAL300019921483	1	37	-1.0	-41.07	332.56	6.68	-34.39
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921484	0	38	-1.0	-41.69	353.37	2.62	-39.07
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921484	1	38	-1.0	-41.68	353.41	2.62	-39.06
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921485	0	42	0.0	-61.91	362.14	5.89	-56.02
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921485	1	42	0.0	-61.95	362.10	5.89	-56.06
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921486	0	42	0.0	-51.31	357.29	5.88	-45.43
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921486	1	42	0.0	-51.32	357.22	5.87	-45.45
CC1=C(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921487	0	40	-1.0	-34.54	334.27	7.31	-27.23
CC1=C(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921487	1	40	-1.0	-34.53	334.31	7.31	-27.22
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN2CCCC2=N1	REAL300019921488	0	34	-1.0	-47.65	306.76	5.56	-42.09
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN2CCCC2=N1	REAL300019921488	1	34	-1.0	-47.66	306.80	5.56	-42.10
CN1C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC(=O)C2=CC=CC=C21	REAL300019921489	0	39	-1.0	-45.04	340.12	7.09	-37.95
CN1C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC(=O)C2=CC=CC=C21	REAL300019921489	1	39	-1.0	-45.02	340.17	7.09	-37.93
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(SC(F)(F)F)O1	REAL300019921490	0	31	-1.0	-39.84	323.63	5.77	-34.07
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(SC(F)(F)F)O1	REAL300019921490	1	31	-1.0	-39.81	323.67	5.78	-34.03
CON1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921491	0	39	-1.0	-34.28	327.39	3.38	-30.90
CON1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921491	1	39	-1.0	-34.27	327.42	3.38	-30.89
CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019921492	0	42	0.0	-49.64	334.16	6.08	-43.56
CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019921492	1	42	0.0	-51.23	339.74	6.42	-44.81
CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019921492	1	42	0.0	-49.59	334.11	6.08	-43.51
CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019921492	1	42	0.0	-51.15	339.70	6.42	-44.73
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NC=C1	REAL300019921493	0	35	-1.0	-35.48	312.76	5.43	-30.05
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NC=C1	REAL300019921493	1	35	-1.0	-35.49	312.80	5.43	-30.06
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2(CCC2)C1	REAL300019921494	0	37	-1.0	-34.41	318.44	6.83	-27.58
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300019921494	1	37	-1.0	-34.38	318.48	6.84	-27.54
COC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921495	0	33	-1.0	-41.06	304.21	3.59	-37.47
COC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921495	1	33	-1.0	-41.07	304.17	3.59	-37.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL300019921496	0	32	-1.0	-38.95	325.80	6.08	-32.87
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CSC2=CC(Cl)=CN=C12	REAL300019921496	1	32	-1.0	-39.01	325.76	6.09	-32.92
CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921497	0	33	-1.0	-43.96	305.20	4.64	-39.32
CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921497	1	33	-1.0	-43.98	305.16	4.64	-39.34
O=C(C=CC1CCCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921498	0	37	-1.0	-35.30	321.70	6.96	-28.34
O=C(C=CC1CCCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921498	1	37	-1.0	-35.21	320.73	6.95	-28.26
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300019921499	0	37	-1.0	-37.47	345.64	7.22	-30.25
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300019921499	1	37	-1.0	-37.46	345.60	7.21	-30.25
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC(=O)C1	REAL300019921500	0	32	-1.0	-36.02	288.83	4.64	-31.38
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC(=O)C1	REAL300019921500	1	32	-1.0	-36.00	288.87	4.65	-31.35
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN2CCCCC2=C1	REAL300019921501	0	38	-1.0	-39.86	329.80	7.23	-32.63
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN2CCCCC2=C1	REAL300019921501	1	38	-1.0	-39.74	328.81	7.21	-32.53
C[C@@H]1[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019921502	0	39	0.0	-48.58	314.39	5.43	-43.15
C[C@@H]1[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019921502	1	39	0.0	-47.24	321.02	5.67	-41.57
C[C@@H]1[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019921502	1	39	0.0	-48.57	314.35	5.43	-43.14
C[C@@H]1[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019921502	1	39	0.0	-47.22	320.97	5.67	-41.55
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921503	0	37	-1.0	-40.31	351.99	0.61	-39.70
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921503	1	37	-1.0	-40.32	351.94	0.59	-39.73
CCNC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CS1	REAL300019921504	0	34	-1.0	-40.36	323.66	3.88	-36.48
CCNC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CS1	REAL300019921504	1	34	-1.0	-40.32	323.62	3.88	-36.44
NC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019921505	0	33	-1.0	-33.21	311.96	3.84	-29.37
NC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019921505	1	33	-1.0	-33.22	311.92	3.84	-29.38
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921506	0	39	-1.0	-36.57	362.81	8.43	-28.14
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921506	1	39	-1.0	-36.49	362.86	8.43	-28.06
COCC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921507	0	37	-1.0	-34.75	325.36	4.76	-29.99
COCC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921507	1	37	-1.0	-34.70	325.42	4.75	-29.95
CN1N=C(C2CC2)N=C1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921508	0	39	-1.0	-41.23	352.29	6.14	-35.09
CN1N=C(C2CC2)N=C1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921508	1	39	-1.0	-41.26	352.33	6.16	-35.10
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2=NC=NC=C2C1	REAL300019921509	0	38	-1.0	-35.33	331.77	6.32	-29.01
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2=NC=NC=C2C1	REAL300019921509	1	38	-1.0	-35.35	331.82	6.33	-29.02
CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1(F)Cl	REAL300019921510	0	33	-1.0	-33.33	313.54	6.23	-27.10
CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1(F)Cl	REAL300019921510	1	33	-1.0	-33.36	313.60	6.23	-27.13
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC(Cl)=C2S1	REAL300019921511	0	33	-1.0	-40.69	332.66	7.90	-32.79
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL300019921511	1	33	-1.0	-40.68	332.70	7.91	-32.77
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921512	0	36	-1.0	-40.70	330.63	6.49	-34.21
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921512	1	36	-1.0	-40.72	330.59	6.47	-34.25
CC1CCN2N=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C2C1	REAL300019921513	0	40	-1.0	-39.39	342.11	5.97	-33.42
CC1CCN2N=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C2C1	REAL300019921513	1	40	-1.0	-39.34	342.15	5.97	-33.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019921514	0	32	-2.0	-88.18	325.21	7.17	-81.01
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019921514	1	32	-2.0	-88.21	325.25	7.18	-81.03
O=C(CC1=CC=C2OCCCC2=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921515	0	41	-1.0	-37.08	356.55	7.30	-29.78
O=C(CC1=CC=C2OCCCC2=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921515	1	41	-1.0	-37.03	356.59	7.31	-29.72
CSC1=CC=C(CCCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921516	0	43	-1.0	-36.62	385.96	9.30	-27.32
CSC1=CC=C(CCCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921516	1	43	-1.0	-36.64	386.00	9.30	-27.34
O=C(CN1N=NN=C1C1=CSC=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921517	0	35	-1.0	-35.98	336.86	4.59	-31.39
O=C(CN1N=NN=C1C1=CSC=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921517	1	35	-1.0	-35.96	336.90	4.60	-31.36
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC2=CC=C(F)C=C12	REAL300019921518	0	33	-1.0	-36.91	312.32	6.38	-30.53
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC2=CC=C(F)C=C12	REAL300019921518	1	33	-1.0	-36.93	312.37	6.39	-30.54
CC(C)CN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921519	0	39	-1.0	-34.87	338.84	6.10	-28.77
CC(C)CN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921519	1	39	-1.0	-34.77	338.63	6.09	-28.68
CC1=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C(Cl)C=C2C=C1	REAL300019921520	0	38	-1.0	-44.42	354.57	7.89	-36.53
CC1=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C(Cl)C=C2C=C1	REAL300019921520	1	38	-1.0	-44.42	354.62	7.89	-36.53
CCOC(=O)C1CCC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921521	0	48	-1.0	-39.40	392.19	8.29	-31.11
CCOC(=O)C1CCC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921521	1	48	-1.0	-39.37	392.23	8.29	-31.08
CC(C)(C)OC(=O)CCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921522	0	44	-1.0	-39.09	374.71	7.30	-31.79
CC(C)(C)OC(=O)CCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921522	1	44	-1.0	-39.08	374.75	7.30	-31.78
O=C(CN1C=CC2=CC=C(F)C=C21)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921523	0	37	-1.0	-39.81	342.41	8.22	-31.59
O=C(CN1C=CC2=CC=C(F)C=C21)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921523	1	37	-1.0	-39.77	342.45	8.23	-31.54
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN2CCOCC2=C1	REAL300019921524	0	35	-1.0	-43.11	315.56	2.99	-40.12
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN2CCOCC2=C1	REAL300019921524	1	35	-1.0	-43.06	315.60	2.99	-40.07
CC(C)=CCCC(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921525	0	45	-1.0	-34.31	372.36	8.45	-25.86
CC(C)=CCCC(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921525	1	45	-1.0	-34.27	372.41	8.45	-25.82
CC1(C)CC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300019921526	0	41	-1.0	-37.34	355.63	7.24	-30.10
CC1(C)CC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC=C2O1	REAL300019921526	1	41	-1.0	-37.24	355.68	7.25	-29.99
CC(C)(C)OC(=O)COCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921527	0	42	-1.0	-42.01	366.84	6.40	-35.61
CC(C)(C)OC(=O)COCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921527	1	42	-1.0	-41.98	366.88	6.40	-35.58
CC1=CC=C(C2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2)N=N1	REAL300019921528	0	41	-1.0	-40.15	366.49	7.35	-32.80
CC1=CC=C(C2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2)N=N1	REAL300019921528	1	41	-1.0	-40.14	366.54	7.35	-32.79
CN1C=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921529	0	33	-1.0	-40.97	304.87	4.44	-36.53
CN1C=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921529	1	33	-1.0	-41.02	304.91	4.44	-36.58
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=NC=C21	REAL300019921530	0	35	-1.0	-38.90	314.86	6.46	-32.44
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=NC=C21	REAL300019921530	1	35	-1.0	-38.96	314.82	6.46	-32.50
C=CCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019921531	0	33	-1.0	-43.95	312.70	3.71	-40.24
C=CCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019921531	1	33	-1.0	-43.96	312.66	3.71	-40.25
CCCC1=CC=C(CCCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921532	0	48	-1.0	-35.71	410.14	10.49	-25.22
CCCC1=CC=C(CCCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921532	1	48	-1.0	-35.76	410.18	10.49	-25.27
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL300019921533	0	39	-1.0	-39.58	348.99	7.84	-31.74
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL300019921533	1	39	-1.0	-39.69	349.99	7.87	-31.82
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1N1CCOCC1	REAL300019921534	0	46	-1.0	-36.77	385.75	6.21	-30.56
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1N1CCOCC1	REAL300019921534	1	46	-1.0	-36.74	385.79	6.21	-30.53
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(C2CCC2)N=N1	REAL300019921535	0	36	-1.0	-43.36	324.83	4.30	-39.06
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(C2CCC2)N=N1	REAL300019921535	1	36	-1.0	-43.42	324.78	4.29	-39.13
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019921536	0	47	-1.0	-38.28	395.58	4.74	-33.54
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019921536	1	47	-1.0	-38.31	395.62	4.74	-33.57
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921537	0	42	-1.0	-34.76	351.73	7.60	-27.16
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921537	1	42	-1.0	-34.75	351.77	7.60	-27.15
CC1=NOC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921538	0	29	-1.0	-33.08	274.65	4.02	-29.06
CC1=NOC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921538	1	29	-1.0	-33.07	274.69	4.02	-29.05
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC(O)=CC=C21	REAL300019921539	0	37	-1.0	-39.16	329.73	5.39	-33.77
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC(O)=CC=C21	REAL300019921539	1	37	-1.0	-39.17	329.78	5.39	-33.78
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C(O)C2=NC=CC=C2C=C1	REAL300019921540	0	36	-1.0	-41.67	326.81	4.87	-36.80
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C(O)C2=NC=CC=C2C=C1	REAL300019921540	1	36	-1.0	-41.66	326.86	4.88	-36.78
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019921540	1	35	-2.0	-107.40	323.25	5.87	-101.53
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019921540	1	35	-2.0	-107.34	323.29	5.87	-101.47
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CNC=N2)C=C1	REAL300019921541	0	37	-1.0	-41.80	336.34	7.21	-34.59
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CNC=N2)C=C1	REAL300019921541	1	37	-1.0	-41.78	335.37	7.20	-34.58
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CS(=O)(=O)C1	REAL300019921542	0	30	-1.0	-39.39	287.53	0.88	-38.51
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CS(=O)(=O)C1	REAL300019921542	1	30	-1.0	-39.40	287.57	0.88	-38.52
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCNC1=O	REAL300019921543	0	34	-1.0	-43.82	297.34	2.51	-41.31
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCNC1=O	REAL300019921543	1	34	-1.0	-43.75	297.39	2.52	-41.23
CN1C(=O)NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921544	0	31	-1.0	-35.30	288.08	2.69	-32.61
CN1C(=O)NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921544	1	31	-1.0	-35.29	288.12	2.69	-32.60
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921545	0	35	-1.0	-48.20	338.14	7.54	-40.66
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921545	1	35	-1.0	-48.18	338.19	7.55	-40.63
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1COC2=CC=C(O)C=C2O1	REAL300019921546	0	37	-1.0	-36.53	335.72	3.12	-33.41
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1COC2=CC=C(O)C=C2O1	REAL300019921546	1	37	-1.0	-36.49	335.76	3.12	-33.37
O=C(CC1CSC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921547	0	31	-1.0	-34.80	290.18	5.34	-29.46
O=C(CC1CSC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921547	1	31	-1.0	-34.80	290.23	5.36	-29.44
COC(=O)C1=C(COCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)OC=N1	REAL300019921548	0	39	-1.0	-44.99	365.89	2.28	-42.71
COC(=O)C1=C(COCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)OC=N1	REAL300019921548	1	39	-1.0	-45.02	365.84	2.27	-42.75
COC1=NN(C)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921549	0	34	-1.0	-39.68	314.24	1.99	-37.69
COC1=NN(C)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921549	1	34	-1.0	-39.70	314.20	1.99	-37.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019921550	0	42	0.0	-54.04	357.42	5.12	-48.92
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019921550	1	42	0.0	-54.05	357.38	5.11	-48.94
CSC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CO1	REAL300019921551	0	31	-1.0	-35.33	306.06	5.19	-30.14
CSC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CO1	REAL300019921551	1	31	-1.0	-35.18	305.07	5.18	-30.00
O=C(CN1CC2=CC=CC=C2OC1=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921552	0	39	-1.0	-47.64	352.33	6.80	-40.84
O=C(CN1CC2=CC=CC=C2OC1=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921552	1	39	-1.0	-47.63	352.38	6.80	-40.83
CC1=C(C2=CC=CC=C2)SC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921553	0	40	-1.0	-38.72	369.97	9.36	-29.36
CC1=C(C2=CC=CC=C2)SC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921553	1	40	-1.0	-38.75	370.01	9.36	-29.39
CC1=NN(C(C)C)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921554	0	39	-1.0	-36.00	340.55	5.71	-30.29
CC1=NN(C(C)C)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921554	1	39	-1.0	-35.95	340.59	5.71	-30.24
O=C(CCC1=C(Cl)C=CC=C1Cl)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921555	0	36	-1.0	-36.57	352.34	8.32	-28.25
O=C(CCC1=C(Cl)C=CC=C1Cl)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921555	1	36	-1.0	-36.55	352.39	8.33	-28.22
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)N=C1	REAL300019921556	0	32	-1.0	-34.67	307.79	5.08	-29.59
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)N=C1	REAL300019921556	1	32	-1.0	-34.58	307.83	5.08	-29.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2OCCOC2=CS1	REAL300019921557	0	33	-1.0	-40.58	312.11	4.38	-36.20
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2OCCOC2=CS1	REAL300019921557	1	33	-1.0	-40.55	312.16	4.39	-36.16
O=C(CCCC1=C(F)C=CC=C1F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921558	0	39	-1.0	-38.00	356.37	8.32	-29.68
O=C(CCCC1=C(F)C=CC=C1F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921558	1	39	-1.0	-37.97	356.42	8.33	-29.64
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921559	0	33	-2.0	-83.29	310.83	2.86	-80.43
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921559	1	33	-2.0	-83.34	310.79	2.85	-80.49
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921559	1	33	-2.0	-83.36	310.89	2.87	-80.49
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921559	1	33	-2.0	-83.36	310.84	2.86	-80.50
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019921560	0	46	-1.0	-39.40	382.20	6.04	-33.36
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019921560	1	46	-1.0	-39.36	382.24	6.04	-33.32
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921561	0	40	-1.0	-36.38	359.74	8.32	-28.06
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921561	1	40	-1.0	-36.36	359.79	8.31	-28.05
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)OC(=O)C2=CC=CC=C21	REAL300019921562	0	38	-1.0	-48.56	339.80	7.91	-40.65
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)OC(=O)C2=CC=CC=C21	REAL300019921562	1	38	-1.0	-48.55	339.85	7.91	-40.64
CC(C)(C)OC(=O)CCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921563	0	47	-1.0	-37.59	396.21	8.08	-29.51
CC(C)(C)OC(=O)CCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921563	1	47	-1.0	-37.56	396.25	8.08	-29.48
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921564	0	37	-1.0	-38.61	340.25	3.33	-35.28
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921564	1	37	-1.0	-38.61	340.29	3.33	-35.28
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(CCF)C(=O)C=C1	REAL300019921565	0	35	-1.0	-36.02	329.12	4.15	-31.87
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(CCF)C(=O)C=C1	REAL300019921565	1	35	-1.0	-35.95	328.12	4.12	-31.83
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NC(C2CC2)=C1	REAL300019921566	0	36	-1.0	-34.46	340.03	6.69	-27.77
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NC(C2CC2)=C1	REAL300019921566	1	36	-1.0	-34.41	340.07	6.69	-27.72
CC(C)(C)C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921567	0	42	-1.0	-36.90	354.38	8.32	-28.58
CC(C)(C)C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921567	1	42	-1.0	-36.87	353.40	8.30	-28.57
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2)=C1	REAL300019921568	0	37	-1.0	-36.78	327.43	8.10	-28.68
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2CC2)=C1	REAL300019921568	1	37	-1.0	-36.80	327.47	8.10	-28.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCOC2=N1	REAL300019921569	0	35	-1.0	-45.12	318.95	2.21	-42.91
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCOC2=N1	REAL300019921569	1	35	-1.0	-45.12	318.91	2.20	-42.92
O=C(CCCC1=CC=C(F)C=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921570	0	39	-1.0	-35.90	352.16	8.34	-27.56
O=C(CCCC1=CC=C(F)C=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921570	1	39	-1.0	-35.90	352.20	8.34	-27.56
CS(=O)(=O)N1CCC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921571	0	44	-1.0	-40.49	377.57	3.40	-37.09
CS(=O)(=O)N1CCC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921571	1	44	-1.0	-40.47	377.61	3.40	-37.07
CC1=NN(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(=O)N1C	REAL300019921572	0	36	-1.0	-47.55	331.44	4.96	-42.59
CC1=NN(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(=O)N1C	REAL300019921572	1	36	-1.0	-47.55	331.48	4.95	-42.60
O=C(CC1OCC2=CC=CC=C21)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921573	0	38	-1.0	-37.53	335.99	6.54	-30.99
O=C(CC1OCC2=CC=CC=C21)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921573	1	38	-1.0	-37.52	336.03	6.54	-30.98
COC1=CC=C2CCCC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=C1	REAL300019921574	0	44	-1.0	-41.47	367.38	7.90	-33.57
COC1=CC=C2CCCC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=C1	REAL300019921574	1	44	-1.0	-41.42	367.40	7.91	-33.51
COC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019921575	0	31	-1.0	-37.13	294.71	4.44	-32.69
COC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921575	1	31	-1.0	-37.14	294.76	4.45	-32.69
COC1=CN2N=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C2C=C1	REAL300019921576	0	37	-1.0	-40.22	334.11	4.97	-35.25
COC1=CN2N=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C2C=C1	REAL300019921576	1	37	-1.0	-40.27	334.07	4.97	-35.30
O=C(CCC1CCCCCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921577	0	45	-1.0	-33.99	355.17	8.03	-25.96
O=C(CCC1CCCCCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921577	1	45	-1.0	-33.99	355.22	8.04	-25.95
CC1(C)CC2=CC=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C2O1	REAL300019921578	0	41	-1.0	-42.90	353.63	8.03	-34.87
CC1(C)CC2=CC=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C2O1	REAL300019921578	1	41	-1.0	-42.89	353.67	8.03	-34.86
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCS1(=O)=O	REAL300019921579	0	33	-1.0	-42.54	302.66	2.71	-39.83
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCS1(=O)=O	REAL300019921579	1	33	-1.0	-42.52	302.70	2.71	-39.81
NC1=NC(C2CC2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921580	0	37	-1.0	-35.16	330.17	4.79	-30.37
NC1=NC(C2CC2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921580	1	37	-1.0	-35.16	330.23	4.79	-30.37
CN1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300019921581	0	42	-1.0	-37.71	341.89	6.72	-30.99
CN1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300019921581	1	42	-1.0	-37.71	341.93	6.73	-30.98
CN(C)C1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300019921582	0	37	-1.0	-33.81	345.37	5.20	-28.61
CN(C)C1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300019921582	1	37	-1.0	-33.81	346.37	5.22	-28.59
CC(C)(C)N1CCC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921583	0	41	-1.0	-31.96	317.25	2.96	-29.00
CC(C)(C)N1CCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921583	1	41	-1.0	-31.92	317.30	2.97	-28.95
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921583	1	42	0.0	-42.59	323.02	5.04	-37.55
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921583	1	42	0.0	-42.97	339.40	6.14	-36.83
O=C(CC1=CC=CN=C1Cl)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921584	0	32	-1.0	-37.31	311.82	5.24	-32.07
O=C(CC1=CC=CN=C1Cl)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921584	1	32	-1.0	-37.28	311.78	5.23	-32.05
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921585	0	30	-2.0	-82.29	289.33	2.08	-80.21
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921585	1	30	-2.0	-82.33	289.29	2.06	-80.27
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921585	1	30	-2.0	-82.31	289.39	2.09	-80.22
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921585	1	30	-2.0	-82.35	289.34	2.08	-80.27
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2NC(=O)COC2=CC=C1	REAL300019921586	0	36	-1.0	-38.42	324.09	3.62	-34.80
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2NC(=O)COC2=CC=C1	REAL300019921586	1	36	-1.0	-39.18	323.08	3.61	-35.57
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=CN1	REAL300019921587	0	30	-1.0	-44.92	279.12	4.10	-40.82
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=CN1	REAL300019921587	1	30	-1.0	-44.93	279.17	4.11	-40.82
CC(=NO)C1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300019921588	0	43	-1.0	-35.21	358.54	4.19	-31.02
CC(=NO)C1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300019921588	1	43	-1.0	-35.29	358.55	4.19	-31.10
CCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=CN1	REAL300019921589	0	33	-1.0	-44.95	300.49	4.83	-40.12
CCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=CN1	REAL300019921589	1	33	-1.0	-44.89	300.53	4.83	-40.06
CC1=CN=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=CN12	REAL300019921590	0	36	-1.0	-37.96	326.62	7.09	-30.87
CC1=CN=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=CN12	REAL300019921590	1	36	-1.0	-37.95	326.58	7.09	-30.86
CC1CC2=CNN=C2C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019921591	0	40	-1.0	-42.39	341.57	5.53	-36.86
CC1CC2=CNN=C2C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019921591	1	40	-1.0	-42.35	341.61	5.54	-36.81
O=C(CC(N1C=CN=C1)C(F)(F)F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921592	0	36	-1.0	-35.30	335.79	6.86	-28.44
O=C(CC(N1C=CN=C1)C(F)(F)F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921592	1	36	-1.0	-35.32	335.86	6.86	-28.46
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(N2C=CN=C2)=CC=C1O	REAL300019921593	0	38	-1.0	-43.14	341.94	6.79	-36.35
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(N2C=CN=C2)=CC=C1O	REAL300019921593	1	38	-1.0	-43.05	341.99	6.79	-36.26
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CSC(Br)=N1	REAL300019921594	0	26	-1.0	-40.25	286.23	3.55	-36.70
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CSC(Br)=N1	REAL300019921594	1	26	-1.0	-40.25	286.19	3.55	-36.70
CC(C)CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N1C=CN=C1	REAL300019921595	0	42	-1.0	-34.36	352.25	7.68	-26.68
CC(C)CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N1C=CN=C1	REAL300019921595	1	42	-1.0	-34.39	352.32	7.68	-26.71
CN1C(Cl)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921596	0	30	-1.0	-32.48	290.28	5.09	-27.39
CN1C(Cl)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921596	1	30	-1.0	-32.48	290.22	5.09	-27.39
CN1CCCC1C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NN1	REAL300019921597	0	42	-1.0	-40.44	363.68	2.89	-37.55
CN1CCCC1C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NN1	REAL300019921597	1	42	-1.0	-40.42	363.73	2.90	-37.52
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NN1	REAL300019921597	1	43	0.0	-61.90	364.24	5.48	-56.42
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NN1	REAL300019921597	1	43	0.0	-60.82	358.49	4.93	-55.89
CN1C(=O)CSC1=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921598	0	33	-1.0	-37.03	311.44	4.45	-32.58
CN1C(=O)CSC1=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921598	1	33	-1.0	-37.01	311.48	4.45	-32.56
N#CCCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921599	0	33	-1.0	-38.45	306.69	5.77	-32.68
N#CCCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921599	1	33	-1.0	-38.44	306.73	5.77	-32.67
CC1=CC=CC2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N21	REAL300019921600	0	36	-1.0	-42.00	315.94	6.81	-35.19
CC1=CC=CC2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N21	REAL300019921600	1	36	-1.0	-42.01	315.83	6.81	-35.20
CC(=CC1=CC=NC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921601	0	36	-1.0	-35.78	320.79	6.02	-29.76
CC(=CC1=CC=NC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921601	1	36	-1.0	-35.78	320.83	6.01	-29.77
CC(=CC1=CC=CC=N1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921602	0	36	-1.0	-39.46	321.77	7.06	-32.40
CC(=CC1=CC=CC=N1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921602	1	36	-1.0	-39.36	321.82	7.06	-32.30
CC(=CC1=CC=CN=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921603	0	36	-1.0	-36.98	319.63	6.01	-30.97
CC(=CC1=CC=CN=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921603	1	36	-1.0	-36.92	319.69	6.01	-30.91
CC(=CC1=CC=CO1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921604	0	34	-1.0	-38.43	307.64	6.19	-32.24
CC(=CC1=CC=CO1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921604	1	34	-1.0	-38.39	307.70	6.19	-32.20
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)NC(=O)C2=CC=CC=C21	REAL300019921605	0	39	-1.0	-43.24	341.41	5.88	-37.36
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)NC(=O)C2=CC=CC=C21	REAL300019921605	1	39	-1.0	-43.24	341.45	5.89	-37.35
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL300019921606	0	45	-1.0	-37.55	369.22	7.27	-30.28
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL300019921606	1	45	-1.0	-37.55	369.28	7.27	-30.28
CCN1C(=O)NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C21	REAL300019921607	0	40	-1.0	-37.03	358.01	5.82	-31.21
CCN1C(=O)NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C21	REAL300019921607	1	40	-1.0	-37.03	358.06	5.83	-31.20
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC(NC2CC2)=N1	REAL300019921608	0	41	-1.0	-35.57	360.85	6.16	-29.41
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC(NC2CC2)=N1	REAL300019921608	1	41	-1.0	-35.62	360.89	6.17	-29.45
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2(CC2(F)F)CC1	REAL300019921609	0	40	-1.0	-36.97	339.96	7.51	-29.46
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2(CC2(F)F)CC1	REAL300019921609	1	40	-1.0	-36.90	340.01	7.51	-29.39
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)C=C1F	REAL300019921610	0	33	-1.0	-37.85	315.90	6.97	-30.88
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)C=C1F	REAL300019921610	1	33	-1.0	-37.79	315.94	6.98	-30.81
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921611	0	38	-1.0	-36.79	353.03	7.16	-29.63
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921611	1	38	-1.0	-36.80	353.07	7.16	-29.64
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)O1	REAL300019921612	0	34	-1.0	-35.43	335.13	5.81	-29.62
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)O1	REAL300019921612	1	34	-1.0	-35.39	335.17	5.81	-29.58
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC(CO)=C1	REAL300019921613	0	31	-1.0	-38.51	294.94	1.46	-37.05
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC(CO)=C1	REAL300019921613	1	31	-1.0	-38.50	294.98	1.47	-37.03
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CSC(N2CCCCC2)=N1	REAL300019921614	0	41	-1.0	-41.96	362.46	5.46	-36.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CSC(N2CCCCC2)=N1	REAL300019921614	1	41	-1.0	-41.97	362.42	5.47	-36.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300019921615	0	37	-1.0	-42.15	346.87	4.14	-38.01
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300019921615	1	37	-1.0	-42.14	346.91	4.14	-38.00
C[C@H]1CC[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921616	0	39	-1.0	-34.25	324.67	6.84	-27.41
C[C@H]1CC[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921616	1	39	-1.0	-34.24	324.70	6.85	-27.39
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=CN=CC=C2C=C1	REAL300019921617	0	35	-1.0	-36.72	318.18	6.47	-30.25
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=CN=CC=C2C=C1	REAL300019921617	1	35	-1.0	-36.67	319.17	6.49	-30.18
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300019921618	0	40	0.0	-47.88	319.38	5.63	-42.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300019921618	1	40	0.0	-51.78	319.53	5.62	-46.16
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300019921618	1	40	0.0	-47.86	319.34	5.63	-42.23
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O=C(CC1=CC=C2OC(F)(F)OC2=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921667	1	36	-1.0	-36.79	342.50	5.79	-31.00
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019921668	0	48	-1.0	-38.48	394.87	8.23	-30.25
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019921668	1	48	-1.0	-38.46	394.91	8.24	-30.22
CC(C)(C)N1N=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921669	0	37	-1.0	-41.55	335.48	3.77	-37.78
CC(C)(C)N1N=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921669	1	37	-1.0	-41.62	335.43	3.77	-37.85
O=C(CC12CCCCC1C2(F)F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921670	0	40	-1.0	-33.01	339.44	7.41	-25.60
O=C(CC12CCCCC1C2(F)F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921670	1	40	-1.0	-33.01	339.49	7.43	-25.58
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1CC[C@H](C2CCC2)CC1	REAL300019921671	0	46	-1.0	-33.96	370.89	8.82	-25.14
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1CC[C@H](C2CCC2)CC1	REAL300019921671	1	46	-1.0	-33.98	370.93	8.82	-25.16
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921672	0	44	-1.0	-36.66	380.67	8.11	-28.55
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921672	1	44	-1.0	-36.62	380.71	8.12	-28.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2C(Cl)=CC=CN2N=C1	REAL300019921673	0	33	-1.0	-43.68	314.80	6.21	-37.47
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2C(Cl)=CC=CN2N=C1	REAL300019921673	1	33	-1.0	-43.71	314.75	6.21	-37.50
COC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1C#N	REAL300019921674	0	35	-1.0	-34.85	327.85	5.71	-29.14
COC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1C#N	REAL300019921674	1	35	-1.0	-34.83	327.89	5.72	-29.11
CC1=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N=CN2C=C1	REAL300019921675	0	36	-1.0	-50.53	326.96	7.92	-42.61
CC1=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N=CN2C=C1	REAL300019921675	1	36	-1.0	-50.56	326.91	7.90	-42.66
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL300019921676	0	32	-1.0	-36.67	328.13	5.92	-30.75
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=NC(Cl)=CC=C2S1	REAL300019921676	1	32	-1.0	-36.65	328.09	5.92	-30.73
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL300019921677	0	35	-1.0	-34.18	320.50	6.49	-27.69
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C2=CC=NC=C12	REAL300019921677	1	35	-1.0	-34.26	320.46	6.49	-27.77
O=C(CC(N1C=CC=N1)C(F)(F)F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921678	0	36	-1.0	-36.14	334.99	5.80	-30.34
O=C(CC(N1C=CC=N1)C(F)(F)F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921678	1	36	-1.0	-36.14	334.94	5.80	-30.34
N#CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCCCC1	REAL300019921679	0	40	-1.0	-41.25	334.54	6.63	-34.62
N#CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCCCC1	REAL300019921679	1	40	-1.0	-41.20	334.58	6.63	-34.57
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C(Cl)N=C2C=CSC2=C1	REAL300019921680	0	32	-1.0	-36.33	321.59	5.88	-30.45
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C(Cl)N=C2C=CSC2=C1	REAL300019921680	1	32	-1.0	-36.34	321.54	5.86	-30.48
CC(=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(C)(C)C	REAL300019921681	0	39	-1.0	-35.72	326.81	6.65	-29.07
CC(=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(C)(C)C	REAL300019921681	1	39	-1.0	-35.70	326.86	6.65	-29.05
COC1=NOC(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921682	0	36	-1.0	-37.00	332.17	3.06	-33.94
COC1=NOC(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921682	1	36	-1.0	-36.99	332.22	3.07	-33.92
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2C=CNC2=NC=N1	REAL300019921683	0	32	-1.0	-43.42	299.83	5.14	-38.28
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2C=CNC2=NC=N1	REAL300019921683	1	32	-1.0	-43.42	299.87	5.14	-38.28
CN1C=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019921684	0	33	-1.0	-46.45	313.45	3.75	-42.70
CN1C=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019921684	1	33	-1.0	-46.41	313.50	3.75	-42.66
CN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300019921685	0	41	-1.0	-42.68	357.20	8.86	-33.82
CN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300019921685	1	41	-1.0	-42.66	357.24	8.86	-33.80
CCCCCC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NN1	REAL300019921686	0	42	-1.0	-40.81	367.95	6.06	-34.75
CCCCCC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NN1	REAL300019921686	1	42	-1.0	-40.74	367.99	6.06	-34.68
CNC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CS1	REAL300019921687	0	31	-1.0	-40.59	303.18	3.07	-37.52
CNC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CS1	REAL300019921687	1	31	-1.0	-40.63	303.13	3.06	-37.57
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019921688	0	36	-1.0	-36.82	342.33	7.03	-29.79
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300019921688	1	36	-1.0	-36.84	342.28	7.03	-29.81
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921689	0	34	-1.0	-37.10	325.58	5.56	-31.54
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921689	1	34	-1.0	-36.99	325.63	5.56	-31.43
CC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC(C)(C)C1	REAL300019921690	0	48	-1.0	-34.47	374.83	8.12	-26.35
CC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC(C)(C)C1	REAL300019921690	1	48	-1.0	-34.43	374.87	8.12	-26.31
O=C(CN1C=C(C2CC2)C=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921691	0	37	-1.0	-37.92	334.42	6.26	-31.66
O=C(CN1C=C(C2CC2)C=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921691	1	37	-1.0	-37.91	334.38	6.25	-31.66
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1COCC2	REAL300019921692	0	38	-1.0	-37.87	325.37	6.10	-31.77
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1COCC2	REAL300019921692	1	38	-1.0	-37.86	325.42	6.10	-31.76
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2(CC2(F)F)C1	REAL300019921693	0	34	-1.0	-35.24	315.49	6.54	-28.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2(CC2(F)F)C1	REAL300019921693	1	34	-1.0	-35.27	315.54	6.56	-28.71
C[C@@H](C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019921694	0	46	-1.0	-39.04	380.43	5.97	-33.07
C[C@@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019921694	1	46	-1.0	-39.04	380.48	5.97	-33.07
COC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300019921695	0	36	-1.0	-39.19	336.22	5.58	-33.61
COC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300019921695	1	36	-1.0	-39.19	336.26	5.57	-33.62
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(CO)C1=CC=CC=C1	REAL300019921696	0	37	-1.0	-35.35	329.74	3.89	-31.46
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(CO)C1=CC=CC=C1	REAL300019921696	1	37	-1.0	-35.38	329.79	3.89	-31.49
CC(C)(O)C(O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921697	0	34	-1.0	-36.16	295.42	0.54	-35.62
CC(C)(O)C(O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921697	1	34	-1.0	-36.17	295.46	0.55	-35.62
CCC(O)C(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921698	0	36	-1.0	-36.04	308.02	3.71	-32.33
CCC(O)C(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921698	1	36	-1.0	-36.01	308.07	3.71	-32.30
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2N=C(CO)NC2=CC=C1	REAL300019921699	0	37	-1.0	-46.09	334.87	2.37	-43.72
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2N=C(CO)NC2=CC=C1	REAL300019921699	1	37	-1.0	-46.07	334.91	2.38	-43.69
CCC1=CNC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921700	0	36	-1.0	-40.00	324.76	4.74	-35.26
CCC1=CNC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921700	1	36	-1.0	-39.97	324.80	4.75	-35.22
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921701	0	38	-1.0	-39.19	339.77	7.00	-32.19
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921701	1	38	-1.0	-39.21	339.73	7.00	-32.21
CC(=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)CN1CCOCC1	REAL300019921702	0	43	-1.0	-36.16	360.44	3.43	-32.73
CC(=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CN1CCOCC1	REAL300019921702	1	43	-1.0	-36.16	360.49	3.42	-32.74
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN=C(C2=CC=CO2)O1	REAL300019921703	0	32	-1.0	-41.61	314.79	0.11	-41.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN=C(C2=CC=CO2)O1	REAL300019921703	1	32	-1.0	-41.60	314.83	0.11	-41.49
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019921704	0	33	-1.0	-37.87	316.12	5.61	-32.26
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019921704	1	33	-1.0	-37.84	316.17	5.63	-32.21
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019921705	0	34	-1.0	-33.18	334.60	7.47	-25.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(SC(F)(F)F)=C1	REAL300019921705	1	34	-1.0	-33.10	334.64	7.48	-25.62
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2CC2C1	REAL300019921706	0	34	-1.0	-34.61	296.13	6.29	-28.32
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2CC2C1	REAL300019921706	1	34	-1.0	-34.63	296.17	6.30	-28.33
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN2C=CC=NC2=N1	REAL300019921707	0	31	-1.0	-53.43	298.15	6.13	-47.30
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN2C=CC=NC2=N1	REAL300019921707	1	31	-1.0	-53.58	299.15	6.16	-47.42
CC(=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CO1	REAL300019921708	0	34	-1.0	-37.42	312.32	6.08	-31.34
CC(=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CO1	REAL300019921708	1	34	-1.0	-37.42	312.37	6.08	-31.34
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921709	0	37	-1.0	-41.58	339.44	6.15	-35.43
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921709	1	37	-1.0	-41.56	339.50	6.15	-35.41
CC1=NNC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C12	REAL300019921710	0	36	-1.0	-36.70	326.68	5.30	-31.40
CC1=NNC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C12	REAL300019921710	1	36	-1.0	-36.70	325.71	5.27	-31.43
NC(=O)N=NC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921711	0	36	-1.0	-39.57	339.34	1.17	-38.40
NC(=O)N=NC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921711	1	36	-1.0	-39.59	338.37	1.15	-38.44
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CNC(=S)N1C1CC1	REAL300019921712	0	35	-1.0	-35.24	321.59	6.17	-29.07
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CNC(=S)N1C1CC1	REAL300019921712	1	35	-1.0	-35.22	321.63	6.17	-29.05
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921713	0	40	-1.0	-43.29	365.22	5.46	-37.83
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921713	1	40	-1.0	-43.32	365.26	5.45	-37.87
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL300019921714	0	35	-1.0	-44.79	332.42	2.65	-42.14
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC(C2=CC=CN=C2)=N1	REAL300019921714	1	35	-1.0	-44.76	332.38	2.64	-42.12
CC1=CC=NC=C1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921715	0	35	-1.0	-35.97	315.14	5.44	-30.53
CC1=CC=NC=C1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921715	1	35	-1.0	-35.94	315.18	5.44	-30.50
COCCCN1N=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=CC1=O	REAL300019921716	0	42	-1.0	-37.15	377.70	3.84	-33.31
COCCCN1N=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=CC1=O	REAL300019921716	1	42	-1.0	-38.48	376.70	3.82	-34.66
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2C=CSC2=NC=N1	REAL300019921717	0	31	-1.0	-38.68	303.99	5.32	-33.36
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2C=CSC2=NC=N1	REAL300019921717	1	31	-1.0	-38.67	303.95	5.32	-33.35
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NN1C(F)F	REAL300019921718	0	30	-1.0	-34.81	289.95	3.93	-30.88
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NN1C(F)F	REAL300019921718	1	30	-1.0	-34.75	289.90	3.92	-30.83
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300019921719	0	44	-1.0	-36.24	381.68	7.49	-28.75
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300019921719	1	44	-1.0	-36.08	382.74	7.51	-28.57
CC1=NN(C(C)CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921720	0	39	-1.0	-38.73	341.73	5.71	-33.02
CC1=NN(C(C)CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921720	1	39	-1.0	-38.70	341.77	5.71	-32.99
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCC2CC21	REAL300019921721	0	37	-1.0	-34.62	309.94	6.79	-27.83
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC2CC21	REAL300019921721	1	37	-1.0	-34.60	309.98	6.79	-27.81
O=C(CCCC1=CC=CN=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921722	0	38	-1.0	-37.88	340.61	6.49	-31.39
O=C(CCCC1=CC=CN=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921722	1	38	-1.0	-37.85	340.57	6.48	-31.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(CF)C=C1	REAL300019921723	0	33	-1.0	-37.77	306.19	6.82	-30.95
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(CF)C=C1	REAL300019921723	1	33	-1.0	-37.69	306.24	6.82	-30.87
COC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300019921724	0	37	-1.0	-33.96	345.12	6.38	-27.58
COC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300019921724	1	37	-1.0	-33.96	345.16	6.39	-27.57
COC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCOC1	REAL300019921725	0	38	-1.0	-38.04	320.06	3.78	-34.26
COC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCOC1	REAL300019921725	1	38	-1.0	-38.02	320.10	3.78	-34.24
CC(C)(C)N1N=NC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921726	0	40	-1.0	-41.04	355.19	4.23	-36.81
CC(C)(C)N1N=NC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921726	1	40	-1.0	-41.00	355.23	4.23	-36.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2COCCC2=C1	REAL300019921727	0	38	-1.0	-37.56	331.96	6.10	-31.46
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2COCCC2=C1	REAL300019921727	1	38	-1.0	-37.53	332.00	6.10	-31.43
O=C(CCC1CC1(F)F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921728	0	33	-1.0	-37.51	307.98	6.17	-31.34
O=C(CCC1CC1(F)F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921728	1	33	-1.0	-37.53	308.03	6.18	-31.35
COCCCOCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921729	0	40	-1.0	-35.81	353.54	3.61	-32.20
COCCCOCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921729	1	40	-1.0	-35.83	353.58	3.61	-32.22
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019921730	0	33	-1.0	-36.29	333.02	7.90	-28.39
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019921730	1	33	-1.0	-36.27	333.06	7.90	-28.37
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921731	0	41	-1.0	-36.35	359.26	7.30	-29.05
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921731	1	41	-1.0	-36.31	359.30	7.30	-29.01
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300019921732	0	39	-1.0	-37.98	357.46	7.64	-30.34
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300019921732	1	39	-1.0	-37.92	357.49	7.64	-30.28
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921733	0	49	-1.0	-35.59	404.71	10.49	-25.10
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921733	1	49	-1.0	-35.57	404.75	10.49	-25.08
COCC1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921734	0	36	-1.0	-37.71	328.37	3.92	-33.79
COCC1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921734	1	36	-1.0	-37.78	328.33	3.92	-33.86
CC1=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)OC=C1	REAL300019921735	0	33	-1.0	-36.78	304.16	5.45	-31.33
CC1=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)OC=C1	REAL300019921735	1	33	-1.0	-36.76	304.20	5.46	-31.30
CN(C)C(=O)C1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921736	0	46	-1.0	-44.71	369.95	5.98	-38.73
CN(C)C(=O)C1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921736	1	46	-1.0	-44.64	370.02	5.98	-38.66
CC1=C(Br)C=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921737	0	32	-1.0	-33.74	307.44	5.41	-28.33
CC1=C(Br)C=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921737	1	32	-1.0	-33.68	307.48	5.42	-28.26
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C21	REAL300019921738	0	43	-1.0	-36.79	372.80	6.25	-30.54
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C21	REAL300019921738	1	43	-1.0	-36.77	372.85	6.27	-30.50
COC1=CC=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300019921739	0	37	-1.0	-40.86	345.87	6.45	-34.41
COC1=CC=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300019921739	1	37	-1.0	-40.87	345.92	6.46	-34.41
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCN12	REAL300019921740	0	34	-1.0	-37.36	303.84	5.55	-31.81
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCN12	REAL300019921740	1	34	-1.0	-37.37	303.87	5.56	-31.81
CC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(N)=N1	REAL300019921741	0	33	-1.0	-35.01	299.03	3.10	-31.91
CC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(N)=N1	REAL300019921741	1	33	-1.0	-34.96	299.07	3.10	-31.86
CCC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300019921742	0	49	-1.0	-35.27	401.64	7.14	-28.13
CCC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300019921742	1	49	-1.0	-35.22	401.69	7.15	-28.07
O=C(CCC1CC1(Cl)Cl)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921743	0	33	-1.0	-36.17	327.38	7.03	-29.14
O=C(CCC1CC1(Cl)Cl)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921743	1	33	-1.0	-36.20	327.43	7.04	-29.16
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921744	0	43	-1.0	-34.29	370.25	5.15	-29.14
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921744	1	43	-1.0	-34.27	370.29	5.17	-29.10
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019921745	0	36	-1.0	-52.66	334.13	5.96	-46.70
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300019921745	1	36	-1.0	-52.61	334.09	5.96	-46.65
CC(C)N(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019921746	0	49	-1.0	-37.79	400.30	7.05	-30.74
CC(C)N(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019921746	1	49	-1.0	-37.74	400.34	7.05	-30.69
CC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300019921747	0	45	-1.0	-37.47	385.76	8.51	-28.96
CC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300019921747	1	45	-1.0	-37.55	385.80	8.52	-29.03
C[NH+](C)CC1(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921748	0	39	0.0	-42.10	324.51	6.08	-36.02
C[NH+](C)CC1(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921748	1	39	0.0	-42.05	324.46	6.08	-35.97
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300019921749	0	42	-1.0	-40.07	372.38	6.65	-33.42
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300019921749	1	42	-1.0	-40.08	372.34	6.64	-33.44
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2CCCCN2C=C1	REAL300019921750	0	38	-1.0	-41.97	327.20	7.23	-34.74
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2CCCCN2C=C1	REAL300019921750	1	38	-1.0	-41.96	327.24	7.24	-34.72
CCNC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019921751	0	34	-1.0	-37.31	323.38	3.99	-33.32
CCNC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019921751	1	34	-1.0	-37.35	323.34	3.99	-33.36
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1	REAL300019921752	0	37	-1.0	-36.72	327.41	8.11	-28.61
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1	REAL300019921752	1	37	-1.0	-36.68	327.45	8.11	-28.57
COC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCC1	REAL300019921753	0	40	-1.0	-36.59	329.45	6.33	-30.26
COC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC1	REAL300019921753	1	40	-1.0	-36.58	329.50	6.34	-30.24
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921754	0	40	-1.0	-35.52	348.58	8.54	-26.98
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921754	1	40	-1.0	-35.49	348.62	8.54	-26.95
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2=CC=CC=C2CO1	REAL300019921755	0	38	-1.0	-36.89	334.23	7.06	-29.83
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2=CC=CC=C2CO1	REAL300019921755	1	38	-1.0	-36.83	334.28	7.06	-29.77
COC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300019921756	0	43	-1.0	-35.54	351.01	6.71	-28.83
COC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCCC1	REAL300019921756	1	43	-1.0	-35.52	351.05	6.72	-28.80
CC(CC1=CC=CO1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921757	0	36	-1.0	-35.29	320.77	6.15	-29.14
CC(CC1=CC=CO1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921757	1	36	-1.0	-35.29	320.82	6.15	-29.14
CC1CC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300019921758	0	38	-1.0	-36.97	335.27	6.61	-30.36
CC1CC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC=C2O1	REAL300019921758	1	38	-1.0	-36.94	335.32	6.62	-30.32
CC1(C)CCC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921759	0	36	-1.0	-34.62	304.28	6.08	-28.54
CC1(C)CCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921759	1	36	-1.0	-34.62	304.32	6.08	-28.54
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2(C1)CCCCC2	REAL300019921760	0	43	-1.0	-34.38	349.24	7.90	-26.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2(C1)CCCCC2	REAL300019921760	1	43	-1.0	-34.38	349.29	7.90	-26.48
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019921761	0	36	-1.0	-38.40	336.34	8.77	-29.63
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300019921761	1	36	-1.0	-38.36	336.38	8.78	-29.58
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300019921762	0	44	-1.0	-42.88	385.60	7.58	-35.30
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CN(C)N=C1	REAL300019921762	1	44	-1.0	-42.95	385.55	7.57	-35.38
COCC1=CSC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921763	0	34	-1.0	-37.14	325.66	4.73	-32.41
COCC1=CSC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921763	1	34	-1.0	-37.08	325.70	4.73	-32.35
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921764	0	37	-1.0	-36.95	311.71	5.89	-31.06
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921764	1	37	-1.0	-36.95	311.76	5.89	-31.06
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCO1	REAL300019921765	0	40	-1.0	-36.25	331.83	5.30	-30.95
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCO1	REAL300019921765	1	40	-1.0	-36.19	331.87	5.30	-30.89
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019921766	0	43	0.0	-51.07	364.94	6.59	-44.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(NC2=NCCC2)C=C1	REAL300019921766	1	42	-1.0	-43.46	362.88	6.78	-36.68
NC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC(Br)=N1	REAL300019921767	0	31	-1.0	-35.62	309.07	3.47	-32.15
NC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC(Br)=N1	REAL300019921767	1	31	-1.0	-35.58	309.03	3.46	-32.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NOC2=C1COCC2	REAL300019921768	0	34	-1.0	-41.11	310.01	3.62	-37.49
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NOC2=C1COCC2	REAL300019921768	1	34	-1.0	-41.48	309.01	3.58	-37.90
CC1=CN2C=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC2=N1	REAL300019921769	0	36	-1.0	-38.38	326.74	7.16	-31.22
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CC1=CC=C2OC=C(CC(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=C1	REAL300019921797	0	39	-1.0	-39.73	352.16	7.70	-32.03
CC1=CC=C2OC=C(CC(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=C1	REAL300019921797	1	39	-1.0	-39.75	352.20	7.71	-32.04
COC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019921798	0	37	-1.0	-34.45	340.76	6.80	-27.65
COC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019921798	1	37	-1.0	-34.43	340.80	6.81	-27.62
CCCC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019921799	0	42	-1.0	-34.31	376.38	9.15	-25.16
CCCC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019921799	1	42	-1.0	-34.30	376.43	9.17	-25.13
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(C)N1C1=NN(C)C=C1	REAL300019921800	0	44	-1.0	-45.91	386.15	8.33	-37.58
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(C)N1C1=NN(C)C=C1	REAL300019921800	1	44	-1.0	-45.95	386.11	8.33	-37.62
CC(C)C1=NC=CN1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921801	0	39	-1.0	-36.80	345.43	6.56	-30.24
CC(C)C1=NC=CN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921801	1	39	-1.0	-36.74	345.48	6.57	-30.17
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921801	1	40	0.0	-41.60	344.22	7.16	-34.44
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COCC(OC)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921805	0	34	-1.0	-35.18	308.98	2.96	-32.22
COCC(OC)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921805	1	34	-1.0	-35.18	309.02	2.96	-32.22
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CN1CCC[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921811	1	35	-1.0	-35.39	303.77	3.11	-32.28
CN1CCC[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921812	0	35	-1.0	-35.91	303.51	3.02	-32.89
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921812	1	36	0.0	-45.16	297.88	4.94	-40.22
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921812	1	36	0.0	-42.75	304.14	5.44	-37.31
CN1CCC[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921812	1	35	-1.0	-35.88	303.56	3.03	-32.85
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CC(C)(C)OC(=O)NCC(O)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921816	0	47	-1.0	-39.12	400.68	1.76	-37.36
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O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019921865	0	39	-1.0	-51.15	333.51	4.80	-46.35
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300019921865	1	39	-1.0	-51.15	333.55	4.81	-46.34
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921866	0	36	-2.0	-94.90	347.13	2.11	-92.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921866	1	36	-2.0	-94.97	347.09	2.11	-92.86
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921866	1	37	-1.0	-43.01	347.20	2.25	-40.76
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921866	1	37	-1.0	-43.02	347.16	2.25	-40.77
O=C(CN1C=CC(C(F)F)=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921867	0	33	-1.0	-37.85	318.11	4.94	-32.91
O=C(CN1C=CC(C(F)F)=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921867	1	33	-1.0	-37.83	318.16	4.95	-32.88
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC(=O)NC=C21	REAL300019921868	0	36	-1.0	-37.13	324.03	5.19	-31.94
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL300019921868	1	36	-1.0	-37.16	324.11	5.19	-31.97
CC1=CN2C=CN=C2C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921869	0	36	-1.0	-49.49	323.91	7.75	-41.74
CC1=CN2C=CN=C2C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921869	1	36	-1.0	-49.53	323.88	7.74	-41.79
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL300019921870	0	41	-1.0	-39.91	358.01	4.43	-35.48
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NC(N2CCOCC2)=N1	REAL300019921870	1	41	-1.0	-39.90	357.96	4.42	-35.48
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019921871	0	47	-1.0	-37.06	394.41	4.78	-32.28
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019921871	1	47	-1.0	-37.01	394.45	4.78	-32.23
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCC2(CC2)C1	REAL300019921872	0	40	-1.0	-34.29	334.65	7.51	-26.78
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC2(CC2)C1	REAL300019921872	1	40	-1.0	-34.33	334.70	7.52	-26.81
CCCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921873	0	36	-1.0	-34.62	320.39	5.32	-29.30
CCCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921873	1	36	-1.0	-34.63	320.32	5.32	-29.31
CC1=CC=C(COCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921874	0	40	-1.0	-37.91	358.73	7.64	-30.27
CC1=CC=C(COCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921874	1	40	-1.0	-37.87	358.77	7.66	-30.21
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(C(F)F)=CC=C1F	REAL300019921875	0	33	-1.0	-40.33	313.90	6.92	-33.41
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(C(F)F)=CC=C1F	REAL300019921875	1	33	-1.0	-40.29	313.94	6.92	-33.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019921876	0	44	-1.0	-42.90	377.65	6.88	-36.02
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019921876	1	44	-1.0	-42.89	377.69	6.90	-35.99
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019921877	0	37	-1.0	-37.62	344.68	7.09	-30.53
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019921877	1	37	-1.0	-37.66	344.64	7.09	-30.57
CC1=CN=CN1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921878	0	33	-1.0	-37.00	303.71	6.20	-30.80
CC1=CN=CN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921878	1	33	-1.0	-36.95	303.75	6.22	-30.73
CC1=C[NH+]=CN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921878	1	34	0.0	-46.95	308.22	6.77	-40.18
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019921879	0	32	-1.0	-40.72	323.93	6.01	-34.71
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019921879	1	32	-1.0	-40.72	323.89	6.00	-34.72
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921880	0	40	-1.0	-39.22	359.16	5.91	-33.31
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921880	1	40	-1.0	-39.17	359.20	5.92	-33.25
COC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1C	REAL300019921881	0	37	-1.0	-37.28	321.05	6.03	-31.25
COC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1C	REAL300019921881	1	37	-1.0	-37.27	321.10	6.04	-31.23
CCC1=CNC(=O)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921882	0	36	-1.0	-53.71	322.44	4.61	-49.10
CCC1=CNC(=O)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921882	1	36	-1.0	-53.69	322.50	4.61	-49.08
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(O)CC1=CC=CC=C1	REAL300019921883	0	37	-1.0	-35.57	333.30	5.26	-30.31
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(O)CC1=CC=CC=C1	REAL300019921883	1	37	-1.0	-35.54	333.34	5.27	-30.27
CN1N=CC(Cl)=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921884	0	30	-1.0	-32.82	288.19	4.50	-28.32
CN1N=CC(Cl)=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921884	1	30	-1.0	-32.82	288.12	4.49	-28.33
CC1=CC(C)=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921885	0	39	-1.0	-36.32	345.66	8.00	-28.32
CC1=CC(C)=CC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921885	1	39	-1.0	-36.35	345.70	8.01	-28.34
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2CCCC2)=C1	REAL300019921886	0	42	-1.0	-36.23	356.12	6.48	-29.75
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL300019921886	1	42	-1.0	-36.18	356.17	6.48	-29.70
CCC(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921887	0	29	-1.0	-35.38	274.52	4.59	-30.79
CCC(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921887	1	29	-1.0	-35.34	274.56	4.59	-30.75
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019921888	0	41	-1.0	-36.85	362.93	6.47	-30.38
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019921888	1	41	-1.0	-36.89	362.97	6.47	-30.42
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019921889	0	41	-1.0	-41.02	365.71	6.52	-34.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019921889	1	41	-1.0	-42.21	363.76	6.49	-35.72
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2CC(=O)NC2=NC=C1	REAL300019921890	0	34	-1.0	-34.23	313.91	3.66	-30.57
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2CC(=O)NC2=NC=C1	REAL300019921890	1	34	-1.0	-34.23	313.95	3.66	-30.57
COC(=O)C=CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019921891	0	37	-1.0	-39.77	351.95	6.18	-33.59
COC(=O)C=CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921891	1	37	-1.0	-39.81	351.99	6.19	-33.62
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921892	0	46	-1.0	-36.55	388.83	9.51	-27.04
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921892	1	46	-1.0	-36.50	388.87	9.51	-26.99
CCN1N=CC(Cl)=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921893	0	33	-1.0	-30.14	297.81	5.50	-24.64
CCN1N=CC(Cl)=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921893	1	33	-1.0	-30.13	297.77	5.50	-24.63
COC(=O)C1=C(C)C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019921894	0	36	-1.0	-37.94	336.24	5.39	-32.55
COC(=O)C1=C(C)C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921894	1	36	-1.0	-37.83	336.29	5.39	-32.44
COC(=O)C1=CN(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=C1	REAL300019921895	0	36	-1.0	-39.68	338.86	4.78	-34.90
COC(=O)C1=CN(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=C1	REAL300019921895	1	36	-1.0	-39.75	338.81	4.77	-34.98
C[C@@H](CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300019921896	0	46	-1.0	-38.55	387.70	4.71	-33.84
C[C@@H](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300019921896	1	46	-1.0	-38.58	387.74	4.71	-33.87
NC(=O)C1=CC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019921897	0	35	-1.0	-38.06	334.28	2.26	-35.80
NC(=O)C1=CC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921897	1	35	-1.0	-38.11	334.33	2.26	-35.85
COC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC1	REAL300019921898	0	37	-1.0	-34.63	320.85	5.87	-28.76
COC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019921898	1	37	-1.0	-34.63	320.90	5.87	-28.76
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL300019921899	0	35	-1.0	-46.02	335.94	-0.32	-46.34
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL300019921899	1	35	-1.0	-46.01	335.98	-0.32	-46.33
CSC1=CC=C(O)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921900	0	35	-1.0	-41.88	326.21	5.42	-36.46
CSC1=CC=C(O)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921900	1	35	-1.0	-40.84	327.21	5.43	-35.41
CCCCC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(C)C	REAL300019921901	0	44	-1.0	-34.75	355.73	7.88	-26.87
CCCCC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(C)C	REAL300019921901	1	44	-1.0	-34.75	355.79	7.90	-26.85
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(=O)NC1=C(F)C=CC=C1F	REAL300019921902	0	34	-1.0	-43.19	324.96	4.41	-38.78
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(=O)NC1=C(F)C=CC=C1F	REAL300019921902	1	34	-1.0	-43.17	325.03	4.42	-38.75
CCN1C=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921903	0	33	-1.0	-44.89	305.69	6.12	-38.77
CCN1C=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921903	1	33	-1.0	-44.91	305.65	6.12	-38.79
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019921904	0	32	-1.0	-35.40	288.86	3.84	-31.56
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019921904	1	32	-1.0	-35.40	288.90	3.84	-31.56
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1C[C@H]2C[C@H]2C1	REAL300019921905	0	34	-1.0	-34.62	296.29	6.29	-28.33
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1C[C@H]2C[C@H]2C1	REAL300019921905	1	34	-1.0	-34.64	296.34	6.30	-28.34
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2(CC2)CC1	REAL300019921906	0	40	-1.0	-34.11	335.16	7.53	-26.58
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2(CC2)CC1	REAL300019921906	1	40	-1.0	-34.05	335.20	7.53	-26.52
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2=CC(F)=CC=C21	REAL300019921907	0	37	-1.0	-34.43	329.72	7.83	-26.60
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2=CC(F)=CC=C21	REAL300019921907	1	37	-1.0	-34.50	329.76	7.83	-26.67
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1C	REAL300019921908	0	43	-1.0	-35.88	369.16	9.23	-26.65
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1C	REAL300019921908	1	43	-1.0	-35.85	369.21	9.23	-26.62
CCOCCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921909	0	40	-1.0	-38.18	360.36	4.64	-33.54
CCOCCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921909	1	40	-1.0	-38.18	360.32	4.64	-33.54
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCC1CC1=CC=CC=C1	REAL300019921910	0	46	-1.0	-35.50	379.59	9.79	-25.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC1CC1=CC=CC=C1	REAL300019921910	1	46	-1.0	-35.49	379.64	9.79	-25.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019921911	0	43	-1.0	-35.45	380.29	8.33	-27.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019921911	1	43	-1.0	-35.37	380.22	8.33	-27.04
CN1C=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921912	0	30	-1.0	-42.73	299.00	4.32	-38.41
CN1C=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921912	1	30	-1.0	-42.79	298.96	4.30	-38.49
CCOC1=CC=CC(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921913	0	41	-1.0	-37.22	364.07	7.41	-29.81
CCOC1=CC=CC(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921913	1	41	-1.0	-37.20	364.11	7.41	-29.79
COC1=CC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921914	0	38	-1.0	-37.21	341.13	6.47	-30.74
COC1=CC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921914	1	38	-1.0	-37.18	341.17	6.47	-30.71
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921915	0	33	-1.0	-35.46	325.44	7.23	-28.23
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921915	1	33	-1.0	-35.48	325.48	7.24	-28.24
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C(Cl)SC=C1	REAL300019921916	0	27	-1.0	-36.02	282.22	5.49	-30.53
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C(Cl)SC=C1	REAL300019921916	1	27	-1.0	-36.01	282.27	5.49	-30.52
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921917	0	37	-1.0	-34.82	355.30	6.87	-27.95
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921917	1	37	-1.0	-34.84	355.35	6.88	-27.96
CC(=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CS1	REAL300019921918	0	34	-1.0	-36.29	321.45	7.03	-29.26
CC(=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CS1	REAL300019921918	1	34	-1.0	-35.55	320.61	7.05	-28.50
CC1=NC=CN=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921919	0	31	-1.0	-39.14	286.51	3.06	-36.08
CC1=NC=CN=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921919	1	31	-1.0	-39.16	286.56	3.06	-36.10
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921920	0	40	-1.0	-35.75	352.99	4.76	-30.99
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921920	1	40	-1.0	-35.77	352.94	4.76	-31.01
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2(CC2)C1	REAL300019921921	0	34	-1.0	-34.51	300.91	6.34	-28.17
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2(CC2)C1	REAL300019921921	1	34	-1.0	-34.49	300.95	6.34	-28.15
CN1C=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019921922	0	35	-1.0	-44.03	321.02	3.95	-40.08
CN1C=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019921922	1	35	-1.0	-44.02	321.07	3.97	-40.05
CCOCCOCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921923	0	43	-1.0	-37.96	375.35	4.73	-33.23
CCOCCOCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921923	1	43	-1.0	-37.94	375.38	4.73	-33.21
COC1=CC=CC(C(OC)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921924	0	41	-1.0	-38.60	363.66	5.98	-32.62
COC1=CC=CC(C(OC)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921924	1	41	-1.0	-38.56	363.70	5.98	-32.58
COCCOCCOCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921925	0	47	-1.0	-39.70	408.97	4.09	-35.61
COCCOCCOCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921925	1	47	-1.0	-39.62	409.01	4.10	-35.52
CSC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300019921926	0	34	-1.0	-37.78	324.32	5.99	-31.79
CSC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300019921926	1	34	-1.0	-37.73	323.33	5.97	-31.76
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921927	0	42	-1.0	-43.17	351.80	4.70	-38.47
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921927	1	42	-1.0	-43.19	351.75	4.69	-38.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NO1	REAL300019921928	0	26	-1.0	-33.82	274.04	3.85	-29.97
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NO1	REAL300019921928	1	26	-1.0	-33.83	274.00	3.85	-29.98
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1COC(=O)N1	REAL300019921929	0	29	-1.0	-36.82	275.23	0.30	-36.52
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1COC(=O)N1	REAL300019921929	1	29	-1.0	-36.81	275.27	0.30	-36.51
CN1C(=O)NCC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921930	0	33	-1.0	-37.04	298.38	1.43	-35.61
CN1C(=O)NCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921930	1	33	-1.0	-37.08	298.42	1.42	-35.66
CCC(C)(C)C(=O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921931	0	37	-1.0	-37.20	314.34	5.23	-31.97
CCC(C)(C)C(=O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921931	1	37	-1.0	-37.16	314.39	5.23	-31.93
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921932	0	37	-1.0	-61.52	335.33	2.23	-59.29
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921932	1	37	-1.0	-61.57	335.39	2.23	-59.34
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019921933	0	36	-2.0	-88.56	335.13	5.79	-82.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019921933	1	36	-2.0	-89.41	334.07	5.75	-83.66
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019921933	1	36	-2.0	-89.22	335.81	5.80	-83.42
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019921933	1	36	-2.0	-87.68	334.86	5.76	-81.92
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019921934	0	33	-2.0	-81.35	320.44	2.63	-78.72
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019921934	1	33	-2.0	-81.29	320.48	2.63	-78.66
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019921934	1	33	-2.0	-81.31	320.38	2.61	-78.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019921934	1	33	-2.0	-81.27	320.42	2.63	-78.64
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NNC=C1C(F)(F)F	REAL300019921935	0	30	-1.0	-42.29	297.37	3.51	-38.78
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NNC=C1C(F)(F)F	REAL300019921935	1	30	-1.0	-42.24	297.41	3.52	-38.72
O=C(CC1=CC(C2CC2)=NO1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921936	0	36	-1.0	-36.57	329.93	6.35	-30.22
O=C(CC1=CC(C2CC2)=NO1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921936	1	36	-1.0	-36.57	329.98	6.36	-30.21
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921937	0	36	-2.0	-83.03	336.86	1.18	-81.85
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921937	1	36	-2.0	-82.95	336.91	1.19	-81.76
CN1C=CC(NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2)=N1	REAL300019921938	0	42	-1.0	-45.27	370.34	7.56	-37.71
CN1C=CC(NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2)=N1	REAL300019921938	1	42	-1.0	-45.33	370.30	7.54	-37.79
CC1=NOC(C2(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)CC2)=C1	REAL300019921939	0	36	-1.0	-35.31	326.09	6.49	-28.82
CC1=NOC(C2(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)CC2)=C1	REAL300019921939	1	36	-1.0	-35.34	326.16	6.49	-28.85
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC2CCC[N@@H+]21	REAL300019921940	0	43	0.0	-42.11	334.31	6.95	-35.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC2CCC[N@H+]21	REAL300019921940	1	43	0.0	-39.32	342.29	7.23	-32.09
CC1CN(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019921941	0	39	-1.0	-36.65	333.90	3.09	-33.56
CC1CN(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921941	1	39	-1.0	-36.60	333.95	3.10	-33.50
CC1C[N@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921941	1	40	0.0	-51.64	329.99	5.50	-46.14
CC1C[N@@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921941	1	40	0.0	-51.66	329.60	5.44	-46.22
CN1C=NC2=CN=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C21	REAL300019921942	0	35	-1.0	-39.05	315.36	5.36	-33.69
CN1C=NC2=CN=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C21	REAL300019921942	1	35	-1.0	-39.09	315.26	5.37	-33.72
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921943	0	42	0.0	-50.35	344.83	6.89	-43.46
C[N@H+]1CCCC1CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921943	1	42	0.0	-50.12	340.08	6.42	-43.70
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921943	1	42	0.0	-50.36	344.78	6.89	-43.47
C[N@H+]1CCCC1CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921943	1	42	0.0	-50.15	340.03	6.42	-43.73
O=C(C=CCN1C=NC=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921944	0	33	-1.0	-41.96	313.16	6.74	-35.22
O=C(C=CCN1C=NC=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921944	1	33	-1.0	-41.95	313.11	6.73	-35.22
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019921945	0	34	-1.0	-41.78	312.06	5.63	-36.15
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019921945	1	34	-1.0	-41.81	312.10	5.64	-36.17
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019921946	0	39	-1.0	-41.55	348.11	7.10	-34.45
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300019921946	1	39	-1.0	-41.51	348.15	7.12	-34.39
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921947	0	38	-1.0	-39.35	347.75	2.06	-37.29
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921947	1	38	-1.0	-39.39	347.79	2.06	-37.33
CC(=O)NC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300019921948	0	36	-1.0	-41.92	331.02	4.59	-37.33
CC(=O)NC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300019921948	1	36	-1.0	-41.94	330.97	4.58	-37.36
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921949	0	50	-1.0	-37.13	405.50	8.60	-28.53
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921949	1	50	-1.0	-37.05	405.57	8.60	-28.45
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300019921950	0	39	-1.0	-46.25	355.78	9.05	-37.20
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300019921950	1	39	-1.0	-45.07	356.77	9.08	-35.99
CC1=CC=NN1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921951	0	33	-1.0	-37.11	304.82	4.58	-32.53
CC1=CC=NN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921951	1	33	-1.0	-37.10	304.86	4.59	-32.51
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC=C2C(F)=CC=CN21	REAL300019921952	0	33	-1.0	-43.82	311.01	6.55	-37.27
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC=C2C(F)=CC=CN21	REAL300019921952	1	33	-1.0	-43.85	310.96	6.54	-37.31
O=C(C=CC=C(Cl)Cl)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921953	0	28	-1.0	-34.21	299.54	5.94	-28.27
O=C(C=CC=C(Cl)Cl)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921953	1	28	-1.0	-34.16	299.58	5.94	-28.22
CC1=C(CO)C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019921954	0	34	-1.0	-42.18	314.98	2.19	-39.99
CC1=C(CO)C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921954	1	34	-1.0	-42.18	315.02	2.19	-39.99
CN1CCCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1=O	REAL300019921955	0	40	-1.0	-46.97	333.91	5.07	-41.90
CN1CCCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1=O	REAL300019921955	1	40	-1.0	-47.02	333.96	5.07	-41.95
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300019921956	0	38	-1.0	-38.96	354.47	5.91	-33.05
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300019921956	1	38	-1.0	-38.91	354.52	5.91	-33.00
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2O)NC1=O	REAL300019921957	0	41	-1.0	-51.54	349.11	2.60	-48.94
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2O)NC1=O	REAL300019921957	1	41	-1.0	-51.53	349.14	2.60	-48.93
NC1=C2N=CN(CCC(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=NC=N1	REAL300019921958	0	39	-1.0	-42.07	356.38	6.05	-36.02
NC1=C2N=CN(CCC(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=NC=N1	REAL300019921958	1	39	-1.0	-42.05	356.34	6.04	-36.01
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300019921959	0	35	-1.0	-39.18	338.05	2.47	-36.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300019921959	1	35	-1.0	-39.10	338.09	2.47	-36.63
C[N@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019921960	0	44	0.0	-44.39	343.98	6.77	-37.62
C[N@@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019921960	1	44	0.0	-44.58	348.29	6.94	-37.64
CN(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)CC(C)(C)C	REAL300019921960	1	43	-1.0	-35.00	351.46	5.42	-29.58
CN(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019921960	1	43	-1.0	-34.97	351.51	5.43	-29.54
CN1C=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300019921961	0	32	-1.0	-42.45	300.13	4.54	-37.91
CN1C=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300019921961	1	32	-1.0	-42.49	300.08	4.54	-37.95
O=C(CC=CCC1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921962	0	40	-1.0	-36.05	358.42	8.89	-27.16
O=C(CC=CCC1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921962	1	40	-1.0	-35.93	358.46	8.89	-27.04
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC(C2=CN=CC=N2)=NO1	REAL300019921963	0	33	-1.0	-38.76	322.18	0.77	-37.99
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC(C2=CN=CC=N2)=NO1	REAL300019921963	1	33	-1.0	-38.69	322.22	0.77	-37.92
CN1CCOC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1=O	REAL300019921964	0	35	-1.0	-44.31	310.91	3.17	-41.14
CN1CCOC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1=O	REAL300019921964	1	35	-1.0	-44.28	310.96	3.18	-41.10
C#CCN(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019921965	0	45	-1.0	-41.96	395.82	7.29	-34.67
C#CCN(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019921965	1	45	-1.0	-41.96	395.86	7.29	-34.67
O=C(CC1CCCS1(=O)=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921966	0	36	-1.0	-47.00	322.87	2.51	-44.49
O=C(CC1CCCS1(=O)=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921966	1	36	-1.0	-46.94	322.91	2.51	-44.43
CC1=CC=C(C(=O)C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921967	0	39	-1.0	-38.54	356.63	7.76	-30.78
CC1=CC=C(C(=O)C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921967	1	39	-1.0	-38.54	356.67	7.76	-30.78
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2NC=NC2=C1F	REAL300019921968	0	33	-1.0	-45.05	307.38	5.69	-39.36
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2NC=NC2=C1F	REAL300019921968	1	33	-1.0	-45.07	307.42	5.68	-39.39
NC1=NN=NN1C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921969	0	37	-1.0	-41.89	339.33	5.91	-35.98
NC1=NN=NN1C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921969	1	37	-1.0	-41.86	339.29	5.91	-35.95
C=C(CC[NH+](C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921970	0	39	0.0	-45.79	332.39	6.28	-39.51
C=C(CC[NH+](C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921970	1	39	0.0	-45.73	332.43	6.29	-39.44
CC1=C(C)NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921971	0	33	-1.0	-42.61	301.97	3.82	-38.79
CC1=C(C)NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921971	1	33	-1.0	-42.61	302.00	3.82	-38.79
CC1=NN=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019921972	0	34	-1.0	-38.13	316.35	0.40	-37.73
CC1=NN=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921972	1	34	-1.0	-38.13	316.39	0.41	-37.72
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN=C(C2CC2)O1	REAL300019921973	0	32	-1.0	-39.96	305.46	0.73	-39.23
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN=C(C2CC2)O1	REAL300019921973	1	32	-1.0	-39.97	305.51	0.74	-39.23
CCN1C(Br)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921974	0	33	-1.0	-31.40	311.82	6.14	-25.26
CCN1C(Br)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921974	1	33	-1.0	-31.48	311.78	6.13	-25.35
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CNC1=O	REAL300019921975	0	33	-1.0	-49.37	318.58	4.19	-45.18
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=CNC1=O	REAL300019921975	1	33	-1.0	-49.33	318.63	4.20	-45.13
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CN2N=NN=C12	REAL300019921976	0	31	-1.0	-53.57	293.22	4.43	-49.14
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CN2N=NN=C12	REAL300019921976	1	31	-1.0	-53.58	293.17	4.43	-49.15
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(F)=CNC1=O	REAL300019921977	0	30	-1.0	-49.88	286.01	3.28	-46.60
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(F)=CNC1=O	REAL300019921977	1	30	-1.0	-49.83	286.07	3.28	-46.55
C#CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921978	0	32	-1.0	-36.92	305.42	7.19	-29.73
C#CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921978	1	32	-1.0	-36.88	305.46	7.20	-29.68
N#CC1(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCOC1	REAL300019921979	0	32	-1.0	-34.72	295.42	3.06	-31.66
N#CC1(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCOC1	REAL300019921979	1	32	-1.0	-34.68	295.46	3.07	-31.61
O=CC1=CC=C(F)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921980	0	32	-1.0	-36.05	304.98	5.78	-30.27
O=CC1=CC=C(F)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921980	1	32	-1.0	-36.02	305.02	5.78	-30.24
O=CC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921981	0	35	-1.0	-40.10	326.12	6.40	-33.70
O=CC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921981	1	35	-1.0	-40.09	326.16	6.41	-33.68
O=CC1=CNC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300019921982	0	36	-1.0	-39.95	333.24	5.78	-34.17
O=CC1=CNC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300019921982	1	36	-1.0	-39.94	333.29	5.79	-34.15
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019921983	0	37	-1.0	-46.20	335.24	0.86	-45.34
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300019921983	1	37	-1.0	-46.29	336.21	0.88	-45.41
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=CC=N1	REAL300019921984	0	34	-1.0	-38.86	308.18	3.39	-35.47
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=CC=N1	REAL300019921984	1	34	-1.0	-38.87	308.23	3.39	-35.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C2SC=CC2=C1	REAL300019921985	0	32	-1.0	-38.28	310.20	5.47	-32.81
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C2SC=CC2=C1	REAL300019921985	1	32	-1.0	-38.32	310.16	5.47	-32.85
O=C(CC(F)(F)C(F)(F)F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921986	0	29	-1.0	-33.84	292.76	4.99	-28.85
O=C(CC(F)(F)C(F)(F)F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921986	1	29	-1.0	-33.79	292.81	5.00	-28.79
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL300019921987	0	32	-1.0	-36.67	320.13	5.05	-31.62
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(Cl)N=CC=C2O1	REAL300019921987	1	32	-1.0	-36.69	320.09	5.05	-31.64
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC(C(F)(F)F)=N1	REAL300019921988	0	29	-1.0	-38.56	298.81	1.75	-36.81
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC(C(F)(F)F)=N1	REAL300019921988	1	29	-1.0	-38.69	297.75	1.72	-36.97
COC1=CC=C(C=O)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921989	0	36	-1.0	-38.55	327.68	6.17	-32.38
COC1=CC=C(C=O)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921989	1	36	-1.0	-38.59	327.72	6.17	-32.42
O=CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300019921990	0	32	-1.0	-36.21	306.94	5.79	-30.42
O=CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300019921990	1	32	-1.0	-36.15	306.98	5.79	-30.36
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CSN=C1Cl	REAL300019921991	0	26	-1.0	-32.90	276.41	4.05	-28.85
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CSN=C1Cl	REAL300019921991	1	26	-1.0	-32.93	276.37	4.04	-28.89
CS(=O)(=O)N1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019921992	0	35	-1.0	-41.42	329.10	0.98	-40.44
CS(=O)(=O)N1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019921992	1	35	-1.0	-41.41	329.14	0.98	-40.43
O=C(CCOC1COC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921993	0	35	-1.0	-34.83	316.16	2.31	-32.52
O=C(CCOC1COC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921993	1	35	-1.0	-34.80	316.20	2.32	-32.48
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CSC=C1Cl	REAL300019921994	0	27	-1.0	-36.11	282.26	5.42	-30.69
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CSC=C1Cl	REAL300019921994	1	27	-1.0	-36.16	282.31	5.43	-30.73
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019921995	0	41	-1.0	-36.63	347.96	5.96	-30.67
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019921995	1	41	-1.0	-36.56	348.01	5.96	-30.60
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019921996	0	44	-1.0	-38.51	379.94	8.67	-29.84
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300019921996	1	44	-1.0	-38.52	379.98	8.67	-29.85
CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(C)(C)C	REAL300019921997	0	44	-1.0	-34.03	342.57	6.98	-27.05
CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(C)(C)C	REAL300019921997	1	44	-1.0	-34.02	342.62	6.98	-27.04
CCC1=CC=C(F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921998	0	36	-1.0	-37.58	317.43	7.45	-30.13
CCC1=CC=C(F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921998	1	36	-1.0	-37.54	317.48	7.46	-30.08
COCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=CS1	REAL300019921999	0	34	-1.0	-37.77	319.12	4.73	-33.04
COCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=CS1	REAL300019921999	1	34	-1.0	-37.76	319.16	4.74	-33.02
CN1C=CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C21	REAL300019922000	0	37	-1.0	-40.70	331.88	7.74	-32.96
CN1C=CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C21	REAL300019922000	1	37	-1.0	-40.64	331.92	7.74	-32.90
COC(=O)C1=NN(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019922001	0	36	-1.0	-33.92	330.33	4.55	-29.37
COC(=O)C1=NN(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019922001	1	36	-1.0	-33.99	330.29	4.54	-29.45
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C[C@H]1C	REAL300019922002	0	40	-1.0	-38.41	354.33	6.02	-32.39
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C[C@H]1C	REAL300019922002	1	40	-1.0	-38.41	354.37	6.02	-32.39
O=C(C=CC1=CC=C(Cl)S1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922003	0	31	-1.0	-36.06	319.98	6.91	-29.15
O=C(C=CC1=CC=C(Cl)S1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922003	1	31	-1.0	-36.07	320.03	6.91	-29.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(C2CCOCC2)C=C1	REAL300019922004	0	41	-1.0	-42.21	355.30	4.59	-37.62
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(C2CCOCC2)C=C1	REAL300019922004	1	41	-1.0	-42.24	355.26	4.59	-37.65
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)OC2=O	REAL300019922005	0	43	-1.0	-41.51	354.96	6.35	-35.16
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)OC2=O	REAL300019922005	1	43	-1.0	-41.51	355.01	6.35	-35.16
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300019922006	0	40	-1.0	-38.29	358.26	8.51	-29.78
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300019922006	1	40	-1.0	-38.23	358.30	8.51	-29.72
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CNC(=O)C2=CC=CC=C21	REAL300019922007	0	38	-1.0	-39.10	337.59	4.35	-34.75
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL300019922007	1	38	-1.0	-39.13	337.63	4.35	-34.78
O=C(CC1CCC(F)(F)CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922008	0	39	-1.0	-35.13	332.78	7.05	-28.08
O=C(CC1CCC(F)(F)CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922008	1	39	-1.0	-33.97	333.84	7.09	-26.88
CC1=CN(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=C1C(F)(F)F	REAL300019922009	0	36	-1.0	-39.02	343.70	5.69	-33.33
CC1=CN(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=C1C(F)(F)F	REAL300019922009	1	36	-1.0	-39.06	343.65	5.68	-33.38
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019922010	0	40	-1.0	-36.73	352.17	8.70	-28.03
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019922010	1	40	-1.0	-36.71	352.21	8.70	-28.01
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)O1	REAL300019922011	0	30	-1.0	-35.64	296.50	5.10	-30.54
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)O1	REAL300019922011	1	30	-1.0	-35.66	296.54	5.11	-30.55
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)N=CO1	REAL300019922012	0	29	-1.0	-39.52	285.78	1.57	-37.95
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)N=CO1	REAL300019922012	1	29	-1.0	-39.52	285.82	1.58	-37.94
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(C#CCO)=C1	REAL300019922013	0	36	-1.0	-39.62	338.70	4.81	-34.81
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C#CCO)=C1	REAL300019922013	1	36	-1.0	-39.72	338.75	4.81	-34.91
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(=O)N=C[N-]1	REAL300019922014	0	28	-2.0	-86.68	277.49	1.72	-84.96
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(=O)N=C[N-]1	REAL300019922014	1	28	-2.0	-86.69	277.45	1.72	-84.97
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(=O)N=CN1	REAL300019922014	1	29	-1.0	-38.63	278.80	2.23	-36.40
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(=O)N=CN1	REAL300019922014	1	29	-1.0	-38.62	278.75	2.22	-36.40
O=C(CN1CCOC1=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922015	0	32	-1.0	-41.35	298.11	3.46	-37.89
O=C(CN1CCOC1=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922015	1	32	-1.0	-41.32	298.15	3.48	-37.84
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922016	0	44	-1.0	-37.04	376.99	0.37	-36.67
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922016	1	44	-1.0	-37.03	377.02	0.38	-36.65
O=C(CCCN1C=NC=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922017	0	35	-1.0	-41.00	321.52	6.90	-34.10
O=C(CCCN1C=NC=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922017	1	35	-1.0	-40.99	321.48	6.89	-34.10
CC1=C(C=O)C(C)=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N1	REAL300019922018	0	36	-1.0	-39.88	323.15	4.75	-35.13
CC1=C(C=O)C(C)=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N1	REAL300019922018	1	36	-1.0	-39.84	323.19	4.75	-35.09
O=C(CN1CCNC(=O)C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922019	0	36	-1.0	-41.57	315.02	0.07	-41.50
O=C(CN1CCNC(=O)C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922019	1	36	-1.0	-41.57	315.06	0.08	-41.49
CCCC=CC(O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922020	0	37	-1.0	-34.27	328.46	4.59	-29.68
CCCC=CC(O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922020	1	37	-1.0	-34.24	328.50	4.59	-29.65
COC1=CC(CO)=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922021	0	38	-1.0	-42.30	337.35	3.73	-38.57
COC1=CC(CO)=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922021	1	38	-1.0	-42.27	337.39	3.74	-38.53
O=C(CC1CCN(CC(F)F)CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922022	0	44	-1.0	-37.75	359.70	5.02	-32.73
O=C(CC1CCN(CC(F)F)CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922022	1	44	-1.0	-37.79	359.77	5.01	-32.78
COC1=CC(OC)=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1C=O	REAL300019922023	0	40	-1.0	-48.63	355.82	5.55	-43.08
COC1=CC(OC)=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1C=O	REAL300019922023	1	40	-1.0	-48.60	355.86	5.56	-43.04
NC1=C2N=CN(CCCC(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=NC=N1	REAL300019922024	0	42	-1.0	-44.41	377.88	6.85	-37.56
NC1=C2N=CN(CCCC(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=NC=N1	REAL300019922024	1	42	-1.0	-44.41	377.83	6.84	-37.57
O=C(CC(O)COCC1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922025	0	44	-1.0	-40.28	389.63	5.30	-34.98
O=C(CC(O)COCC1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922025	1	44	-1.0	-40.26	389.67	5.30	-34.96
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(Cl)=NN1	REAL300019922026	0	30	-1.0	-40.47	300.65	3.35	-37.12
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(Cl)=NN1	REAL300019922026	1	30	-1.0	-40.46	300.69	3.35	-37.11
CC1=NC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019922027	0	32	-1.0	-38.15	300.25	2.27	-35.88
CC1=NC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019922027	1	32	-1.0	-38.13	300.30	2.29	-35.84
O=C(CC1=CON=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922028	0	29	-1.0	-35.80	277.87	4.08	-31.72
O=C(CC1=CON=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922028	1	29	-1.0	-35.83	277.82	4.07	-31.76
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019922029	0	40	-1.0	-53.95	358.75	4.33	-49.62
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019922029	1	40	-1.0	-55.00	357.75	4.30	-50.70
CC1CCC2=NC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CN2C1	REAL300019922030	0	40	-1.0	-45.50	345.40	6.72	-38.78
CC1CCC2=NC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CN2C1	REAL300019922030	1	40	-1.0	-45.41	345.44	6.72	-38.69
CC1=NC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019922031	0	33	-1.0	-37.27	319.99	5.18	-32.09
CC1=NC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019922031	1	33	-1.0	-37.16	320.04	5.18	-31.98
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL300019922032	0	40	-1.0	-46.59	350.91	5.33	-41.26
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=CC(N2CCCC2=O)=C1	REAL300019922032	1	40	-1.0	-46.64	350.86	5.32	-41.32
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NC2=CC=NN21	REAL300019922033	0	32	-1.0	-43.47	297.13	5.24	-38.23
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NC2=CC=NN21	REAL300019922033	1	32	-1.0	-43.48	297.11	5.24	-38.24
NC(=O)C1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019922034	0	36	-1.0	-38.41	334.69	1.74	-36.67
NC(=O)C1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019922034	1	36	-1.0	-38.40	334.65	1.73	-36.67
O=CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019922035	0	29	-1.0	-43.85	295.04	4.86	-38.99
O=CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019922035	1	29	-1.0	-43.81	295.08	4.86	-38.95
C[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019922036	0	39	0.0	-52.89	322.83	6.07	-46.82
C[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019922036	1	39	0.0	-52.93	322.79	6.07	-46.86
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC=CN=C1Cl	REAL300019922037	0	28	-1.0	-39.89	281.95	2.86	-37.03
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC=CN=C1Cl	REAL300019922037	1	28	-1.0	-39.92	281.90	2.84	-37.08
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC2=CC=NN2C=C1	REAL300019922038	0	32	-1.0	-41.32	302.89	4.97	-36.35
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC2=CC=NN2C=C1	REAL300019922038	1	32	-1.0	-41.37	302.84	4.97	-36.40
CN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N(C)C1=O	REAL300019922039	0	34	-1.0	-35.90	309.36	4.73	-31.17
CN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N(C)C1=O	REAL300019922039	1	34	-1.0	-35.84	309.40	4.73	-31.11
CC1=C(C)C(=O)N(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1=O	REAL300019922040	0	40	-1.0	-40.59	365.74	5.30	-35.29
CC1=C(C)C(=O)N(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1=O	REAL300019922040	1	40	-1.0	-40.56	365.79	5.31	-35.25
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2CSCC(C1)C2=O	REAL300019922041	0	40	-1.0	-36.78	337.76	6.17	-30.61
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2CSCC(C1)C2=O	REAL300019922041	1	40	-1.0	-36.80	337.80	6.17	-30.63
CCOC(=O)C1CCCN(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922042	0	47	-1.0	-36.74	393.80	5.61	-31.13
CCOC(=O)C1CCCN(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922042	1	47	-1.0	-37.20	394.87	5.64	-31.56
CCC(C)C(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300019922043	0	45	-1.0	-41.38	372.53	8.05	-33.33
CCC(C)C(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300019922043	1	45	-1.0	-41.39	372.57	8.04	-33.35
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL300019922044	0	50	0.0	-55.13	390.00	6.67	-48.46
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC(N2CCOCC2)CC1	REAL300019922044	1	49	-1.0	-35.51	384.63	4.25	-31.26
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC(N2CCOCC2)CC1	REAL300019922044	1	49	-1.0	-35.45	384.68	4.25	-31.20
CC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N1C	REAL300019922045	0	33	-1.0	-36.29	294.28	5.18	-31.11
CC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N1C	REAL300019922045	1	33	-1.0	-36.32	294.31	5.19	-31.13
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922046	0	31	-1.0	-41.79	287.42	1.56	-40.23
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922046	1	31	-1.0	-39.47	286.43	1.54	-37.93
CC[C@@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019922047	0	38	0.0	-44.66	305.64	5.51	-39.15
CC[C@@H](C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N(C)C	REAL300019922047	1	37	-1.0	-33.13	307.57	3.32	-29.81
CC[C@@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N(C)C	REAL300019922047	1	37	-1.0	-33.08	307.62	3.33	-29.75
O=CC1=CC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019922048	0	36	-1.0	-38.77	334.86	6.88	-31.89
O=CC1=CC=C(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019922048	1	36	-1.0	-38.75	334.91	6.88	-31.87
CC[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019922049	0	38	0.0	-44.11	307.87	5.47	-38.64
CC[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N(C)C	REAL300019922049	1	37	-1.0	-32.97	307.85	3.48	-29.49
CC[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N(C)C	REAL300019922049	1	37	-1.0	-32.97	307.89	3.48	-29.49
O=CC1=CC(F)=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1F	REAL300019922050	0	32	-1.0	-43.39	309.50	5.85	-37.54
O=CC1=CC(F)=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1F	REAL300019922050	1	32	-1.0	-43.42	309.55	5.85	-37.57
CN1CCOC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C21	REAL300019922051	0	40	-1.0	-38.75	343.30	4.57	-34.18
CN1CCOC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C21	REAL300019922051	1	40	-1.0	-38.15	344.02	4.60	-33.55
CC1CCN2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N=C2C1	REAL300019922052	0	40	-1.0	-45.99	345.38	6.74	-39.25
CC1CCN2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N=C2C1	REAL300019922052	1	40	-1.0	-45.99	345.43	6.75	-39.24
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922053	0	44	0.0	-47.50	350.09	4.58	-42.92
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922053	1	44	0.0	-46.68	349.24	4.17	-42.51
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922053	1	44	0.0	-47.47	350.04	4.58	-42.89
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922053	1	44	0.0	-46.71	349.19	4.16	-42.55
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC2=C(COCC2)S1	REAL300019923202	1	34	-1.0	-38.14	319.30	3.25	-34.89
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NN1CCF	REAL300019923203	0	33	-1.0	-34.53	308.23	4.76	-29.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NN1CCF	REAL300019923203	1	33	-1.0	-34.60	308.19	4.75	-29.85
CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019923204	0	45	-1.0	-35.62	376.25	9.25	-26.37
CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019923204	1	45	-1.0	-35.60	376.30	9.27	-26.33
CCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=CS1	REAL300019923205	0	32	-1.0	-41.60	303.00	4.54	-37.06
CCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=CS1	REAL300019923205	1	32	-1.0	-41.22	304.00	4.56	-36.66
CC(C)=CCC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300019923206	0	44	-1.0	-36.58	382.80	6.64	-29.94
CC(C)=CCC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1O	REAL300019923206	1	44	-1.0	-37.06	382.00	6.61	-30.45
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CC1=NC=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019923209	1	35	-1.0	-36.21	330.99	5.43	-30.78
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300019923210	0	36	-1.0	-34.22	341.18	7.76	-26.46
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300019923210	1	36	-1.0	-34.20	341.22	7.76	-26.44
CC1=CC=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N=CC=C12	REAL300019923211	0	38	-1.0	-42.83	334.29	7.06	-35.77
CC1=CC=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N=CC=C12	REAL300019923211	1	38	-1.0	-42.85	334.24	7.06	-35.79
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CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCO1	REAL300019923214	0	32	-1.0	-36.22	287.60	4.37	-31.85
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCO1	REAL300019923214	1	32	-1.0	-36.20	287.63	4.37	-31.83
CCCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923215	0	36	-1.0	-43.73	326.70	5.39	-38.34
CCCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923215	1	36	-1.0	-43.75	326.66	5.39	-38.36
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CCC(C)N1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923218	0	39	-1.0	-35.02	336.72	5.89	-29.13
CCC(C)N1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923218	1	39	-1.0	-35.03	336.75	5.90	-29.13
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C[C@H](CC(F)(F)F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923220	0	32	-1.0	-33.11	296.24	5.31	-27.80
C[C@H](CC(F)(F)F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923220	1	32	-1.0	-33.08	296.28	5.31	-27.77
CCN1C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923221	0	34	-1.0	-39.04	306.12	6.35	-32.69
CCN1C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923221	1	34	-1.0	-39.05	306.16	6.36	-32.69
CC1=C(O)C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1C	REAL300019923222	0	37	-1.0	-37.45	320.11	4.45	-33.00
CC1=C(O)C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1C	REAL300019923222	1	37	-1.0	-37.49	320.16	4.46	-33.03
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NC1=C2C=CN(CC(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=CC=C1	REAL300019923224	1	39	-1.0	-39.98	350.87	6.03	-33.95
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N[N-]1	REAL300019923225	0	41	-2.0	-93.29	368.51	4.85	-88.44
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N[N-]1	REAL300019923225	1	41	-2.0	-93.27	368.55	4.85	-88.42
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923225	1	41	-2.0	-93.35	368.54	4.86	-88.49
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923225	1	41	-2.0	-93.29	368.58	4.86	-88.43
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CC(=CN1C=CN=N1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923227	0	33	-1.0	-41.59	302.72	4.56	-37.03
CC(=CN1C=CN=N1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923227	1	33	-1.0	-41.56	302.77	4.56	-37.00
CCC(=O)N1CSC[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923228	0	38	-1.0	-44.76	341.44	5.85	-38.91
CCC(=O)N1CSC[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923228	1	38	-1.0	-44.81	341.51	5.86	-38.95
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)=CC1CC1	REAL300019923229	1	31	-1.0	-36.56	291.94	5.92	-30.64
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CC(C)OC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300019923231	0	40	-1.0	-38.14	361.12	7.49	-30.65
CC(C)OC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300019923231	1	40	-1.0	-38.36	360.45	7.47	-30.89
O=C(CC1=CN=CC(Br)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923232	0	32	-1.0	-34.87	319.06	5.50	-29.37
O=C(CC1=CN=CC(Br)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923232	1	32	-1.0	-34.90	319.01	5.49	-29.41
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2)O1	REAL300019923233	1	37	-1.0	-39.29	326.01	6.70	-32.59
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CNN=C2)C=C1	REAL300019923234	0	37	-1.0	-39.68	335.24	5.98	-33.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CNN=C2)C=C1	REAL300019923234	1	37	-1.0	-39.64	335.28	5.99	-33.65
CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019923235	0	45	-1.0	-42.72	385.72	5.92	-36.80
CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923235	1	45	-1.0	-42.69	385.76	5.92	-36.77
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923236	0	47	-1.0	-33.49	394.01	4.78	-28.71
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923236	1	47	-1.0	-33.50	394.05	4.78	-28.72
CC1=CC(F)=CC=C1C(O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923237	0	37	-1.0	-34.46	326.70	5.51	-28.95
CC1=CC(F)=CC=C1C(O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923237	1	37	-1.0	-34.50	326.56	5.51	-28.99
CC1=CC=C2C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CNC2=C1	REAL300019923238	0	37	-1.0	-39.46	332.02	6.66	-32.80
CC1=CC=C2C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CNC2=C1	REAL300019923238	1	37	-1.0	-39.43	331.03	6.64	-32.79
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923239	0	47	-1.0	-35.77	387.28	2.23	-33.54
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923239	1	47	-1.0	-35.79	387.39	2.24	-33.55
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N(C)C=N1	REAL300019923240	0	33	-1.0	-41.20	306.37	5.68	-35.52
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N(C)C=N1	REAL300019923240	1	33	-1.0	-41.21	306.41	5.69	-35.52
COC1=NNC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923241	0	31	-1.0	-33.46	293.61	0.26	-33.20
COC1=NNC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923241	1	31	-1.0	-33.44	293.65	0.28	-33.16
CC(=O)C1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2N1	REAL300019923242	0	39	-1.0	-50.68	356.57	6.34	-44.34
CC(=O)C1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2N1	REAL300019923242	1	39	-1.0	-50.65	356.61	6.34	-44.31
CC1CC(=O)NC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923243	0	34	-1.0	-35.69	304.75	2.18	-33.51
CC1CC(=O)NC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923243	1	34	-1.0	-35.72	304.79	2.17	-33.55
CCC1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCC1=O	REAL300019923244	0	41	-1.0	-33.85	336.77	6.56	-27.29
CCC1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCC1=O	REAL300019923244	1	41	-1.0	-33.85	336.82	6.56	-27.29
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2C=COC2=CC=C1F	REAL300019923245	0	33	-1.0	-43.37	314.82	6.22	-37.15
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2C=COC2=CC=C1F	REAL300019923245	1	33	-1.0	-43.37	314.87	6.23	-37.14
COCC1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923246	0	33	-1.0	-36.44	310.79	3.10	-33.34
COCC1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923246	1	33	-1.0	-36.45	310.83	3.10	-33.35
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2N=CC(=O)NC2=C1	REAL300019923247	0	35	-1.0	-35.91	324.74	3.20	-32.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2N=CC(=O)NC2=C1	REAL300019923247	1	35	-1.0	-35.85	324.79	3.20	-32.65
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923248	0	39	-1.0	-39.80	360.95	4.21	-35.59
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923248	1	39	-1.0	-39.91	359.89	4.17	-35.74
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC=CN=C1	REAL300019923249	0	32	-1.0	-36.98	306.56	4.96	-32.02
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CC=CN=C1	REAL300019923249	1	32	-1.0	-36.97	306.51	4.96	-32.01
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2(C1)CCOC2	REAL300019923250	0	38	-1.0	-35.13	325.35	4.82	-30.31
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2(C1)CCOC2	REAL300019923250	1	38	-1.0	-35.10	325.39	4.82	-30.28
COCC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCOCC1	REAL300019923251	0	44	-1.0	-34.90	353.95	4.01	-30.89
COCC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCOCC1	REAL300019923251	1	44	-1.0	-34.79	354.00	4.01	-30.78
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2CCCC2=N1	REAL300019923252	0	36	-1.0	-42.98	320.95	6.14	-36.84
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2CCCC2=N1	REAL300019923252	1	36	-1.0	-43.08	319.95	6.11	-36.97
CC(C)(C)C1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019923253	0	40	-1.0	-36.70	347.17	6.14	-30.56
CC(C)(C)C1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923253	1	40	-1.0	-36.74	347.21	6.14	-30.60
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CC2=CN=CN2C(=O)N1	REAL300019923254	0	35	-1.0	-38.93	319.76	4.14	-34.79
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CC2=CN=CN2C(=O)N1	REAL300019923254	1	35	-1.0	-38.93	319.72	4.14	-34.79
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL300019923255	0	40	-1.0	-39.14	363.69	6.41	-32.73
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL300019923255	1	40	-1.0	-39.17	363.65	6.40	-32.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC2=C1CCCC2	REAL300019923256	0	37	-1.0	-37.41	323.37	6.64	-30.77
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC2=C1CCCC2	REAL300019923256	1	37	-1.0	-37.42	323.41	6.64	-30.78
CCC1(CC)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019923257	0	42	-1.0	-34.97	344.69	7.26	-27.71
CCC1(CC)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923257	1	42	-1.0	-34.86	344.74	7.27	-27.59
CC(C)(C)C1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923258	0	38	-1.0	-37.05	338.54	5.87	-31.18
CC(C)(C)C1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923258	1	38	-1.0	-37.10	338.50	5.87	-31.23
O=C(CN1N=CN=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923259	0	28	-1.0	-37.55	273.20	2.87	-34.68
O=C(CN1N=CN=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923259	1	28	-1.0	-37.51	273.15	2.85	-34.66
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C1Cl)OCO2	REAL300019923260	0	33	-1.0	-36.38	315.76	5.17	-31.21
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C1Cl)OCO2	REAL300019923260	1	33	-1.0	-36.33	315.80	5.17	-31.16
CC(C)C1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=C2CCCCN21	REAL300019923261	0	46	-1.0	-47.51	374.91	7.62	-39.89
CC(C)C1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=C2CCCCN21	REAL300019923261	1	46	-1.0	-47.52	374.95	7.62	-39.90
CC1=NC2=NC=NN2C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923262	0	34	-1.0	-43.95	313.62	8.05	-35.90
CC1=NC2=NC=NN2C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923262	1	34	-1.0	-43.94	313.65	8.06	-35.88
CC1(C)[C@@H]2C[C@@H](C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C[C@@H]21	REAL300019923263	0	40	-1.0	-35.17	331.25	7.24	-27.93
CC1(C)[C@@H]2C[C@@H](C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C[C@@H]21	REAL300019923263	1	40	-1.0	-35.18	331.30	7.24	-27.94
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL300019923264	0	36	-1.0	-38.76	326.10	6.19	-32.57
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL300019923264	1	36	-1.0	-38.71	326.14	6.21	-32.50
CC1=CC(C2CCC2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923265	0	42	-1.0	-38.02	355.14	7.43	-30.59
CC1=CC(C2CCC2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923265	1	42	-1.0	-38.00	355.19	7.43	-30.57
CC(C)[C@@H]1C[C@H](CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300019923266	0	49	-1.0	-34.89	397.04	10.03	-24.86
CC(C)[C@@H]1C[C@H](CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300019923266	1	49	-1.0	-34.88	397.09	10.03	-24.85
COC1=CC=CC2=C1CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)CO2	REAL300019923267	0	42	-1.0	-37.50	360.47	5.86	-31.64
COC1=CC=CC2=C1CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CO2	REAL300019923267	1	42	-1.0	-37.50	360.51	5.86	-31.64
CC(C)=CCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923268	0	36	-1.0	-34.47	316.55	6.47	-28.00
CC(C)=CCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923268	1	36	-1.0	-34.41	316.59	6.47	-27.94
CC1=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)NC2=CC=C1F	REAL300019923269	0	37	-1.0	-33.96	337.02	6.59	-27.37
CC1=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)NC2=CC=C1F	REAL300019923269	1	37	-1.0	-33.94	337.06	6.59	-27.35
CC1=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)NC2=CC=C1Cl	REAL300019923270	0	37	-1.0	-33.84	345.71	6.99	-26.85
CC1=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)NC2=CC=C1Cl	REAL300019923270	1	37	-1.0	-33.83	345.76	6.99	-26.84
COC1=CC=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923271	0	33	-1.0	-40.99	300.90	4.66	-36.33
COC1=CC=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923271	1	33	-1.0	-41.04	300.86	4.65	-36.39
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN2CCNC(=O)C2=C1	REAL300019923272	0	35	-1.0	-44.92	322.01	1.32	-43.60
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN2CCNC(=O)C2=C1	REAL300019923272	1	35	-1.0	-44.96	321.96	1.33	-43.63
CC1=CC2=NC=CN=C2C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923273	0	37	-1.0	-41.24	330.11	5.12	-36.12
CC1=CC2=NC=CN=C2C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923273	1	37	-1.0	-41.23	330.17	5.12	-36.11
CC(=O)OCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923274	0	35	-1.0	-38.32	321.37	5.44	-32.88
CC(=O)OCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923274	1	35	-1.0	-38.33	321.41	5.44	-32.89
CC(=O)NC(CC(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923275	0	42	-1.0	-37.19	349.20	4.08	-33.11
CC(=O)NC(CC(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923275	1	42	-1.0	-37.14	349.23	4.08	-33.06
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2C(CC1)C2(F)F	REAL300019923276	0	40	-1.0	-34.68	336.80	7.53	-27.15
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2C(CC1)C2(F)F	REAL300019923276	1	40	-1.0	-34.67	336.84	7.54	-27.13
CC1=C(C)OC(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923277	0	38	-1.0	-38.01	342.81	3.61	-34.40
CC1=C(C)OC(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923277	1	38	-1.0	-38.03	342.85	3.62	-34.41
COCCOCCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923278	0	44	-1.0	-43.94	394.36	3.92	-40.02
COCCOCCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923278	1	44	-1.0	-44.03	394.32	3.92	-40.11
COCCOCCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923279	0	44	-1.0	-38.55	390.79	3.90	-34.65
COCCOCCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923279	1	44	-1.0	-38.63	390.76	3.90	-34.73
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CNC2=O	REAL300019923280	0	35	-1.0	-36.14	318.93	3.43	-32.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CNC2=O	REAL300019923280	1	35	-1.0	-36.05	318.97	3.43	-32.62
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(CCC(F)(F)F)C=C1	REAL300019923281	0	36	-1.0	-42.74	344.83	5.77	-36.97
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(CCC(F)(F)F)C=C1	REAL300019923281	1	36	-1.0	-42.74	344.79	5.77	-36.97
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300019923282	0	36	-1.0	-38.48	342.37	7.79	-30.69
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300019923282	1	36	-1.0	-38.46	342.41	7.79	-30.67
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CSC=C2)N=C1	REAL300019923283	0	36	-1.0	-39.17	340.75	6.79	-32.38
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CSC=C2)N=C1	REAL300019923283	1	36	-1.0	-39.24	340.70	6.78	-32.46
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923284	0	44	-1.0	-36.40	366.61	7.96	-28.44
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923284	1	44	-1.0	-36.37	366.65	7.97	-28.40
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL300019923285	0	42	-1.0	-34.56	367.46	8.81	-25.75
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL300019923285	1	42	-1.0	-34.63	367.50	8.82	-25.81
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(CC2CCC2)C=C1	REAL300019923286	0	43	-1.0	-37.03	369.28	9.52	-27.51
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(CC2CCC2)C=C1	REAL300019923286	1	43	-1.0	-36.70	368.32	9.49	-27.21
CN(C)C1=NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300019923287	0	40	-1.0	-39.11	358.00	4.48	-34.63
CN(C)C1=NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300019923287	1	40	-1.0	-39.13	357.95	4.48	-34.65
CS(=N)(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923288	0	37	-1.0	-41.05	343.38	2.67	-38.38
CS(=N)(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923288	1	37	-1.0	-41.03	343.42	2.67	-38.36
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(C2COC2)N=N1	REAL300019923289	0	34	-1.0	-42.85	315.43	1.41	-41.44
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(C2COC2)N=N1	REAL300019923289	1	34	-1.0	-42.83	315.39	1.41	-41.42
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(CCF)C=C1	REAL300019923290	0	33	-1.0	-42.80	311.79	4.77	-38.03
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(CCF)C=C1	REAL300019923290	1	33	-1.0	-42.82	311.75	4.77	-38.05
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CC=C(F)C=C1F	REAL300019923291	0	33	-1.0	-37.74	322.57	6.81	-30.93
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300019923291	1	33	-1.0	-37.75	322.61	6.80	-30.95
O=C(CCC1=CC=C(F)N=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923292	0	35	-1.0	-37.17	324.54	5.62	-31.55
O=C(CCC1=CC=C(F)N=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923292	1	35	-1.0	-37.20	324.50	5.62	-31.58
CC1=C(Br)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NN1C	REAL300019923293	0	33	-1.0	-43.09	321.70	4.86	-38.23
CC1=C(Br)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NN1C	REAL300019923293	1	33	-1.0	-43.02	321.74	4.86	-38.16
CC(=O)NCC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCCCC1	REAL300019923294	0	49	-1.0	-40.62	385.42	5.73	-34.89
CC(=O)NCC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCCCC1	REAL300019923294	1	49	-1.0	-40.62	385.47	5.73	-34.89
CC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC(C)(C)O1	REAL300019923295	0	46	-1.0	-33.85	369.85	6.49	-27.36
CC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC(C)(C)O1	REAL300019923295	1	46	-1.0	-33.79	369.89	6.49	-27.30
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NC(Br)=C1F	REAL300019923296	0	29	-1.0	-33.40	297.87	4.79	-28.61
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NC(Br)=C1F	REAL300019923296	1	29	-1.0	-33.42	297.83	4.78	-28.64
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)N=C(C2CC2)O1	REAL300019923297	0	36	-1.0	-39.19	340.22	3.92	-35.27
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)N=C(C2CC2)O1	REAL300019923297	1	36	-1.0	-39.14	340.26	3.92	-35.22
O=C(CCOC1=C(F)C=CC=C1Cl)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923298	0	37	-1.0	-39.04	358.91	7.07	-31.97
O=C(CCOC1=C(F)C=CC=C1Cl)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923298	1	37	-1.0	-39.04	358.95	7.08	-31.96
CS(C)(=O)=NC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CS1	REAL300019923299	0	36	-1.0	-61.64	347.69	2.28	-59.36
CS(C)(=O)=NC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CS1	REAL300019923299	1	36	-1.0	-61.72	347.73	2.27	-59.45
O=C(CCCCC1=CC=CC(O)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923300	0	43	-1.0	-37.13	378.27	6.19	-30.94
O=C(CCCCC1=CC=CC(O)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923300	1	43	-1.0	-37.07	378.31	6.20	-30.87
CC1=NC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019923301	0	32	-1.0	-36.78	309.55	4.65	-32.13
CC1=NC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019923301	1	32	-1.0	-36.76	309.59	4.66	-32.10
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCCC2=N1	REAL300019923302	0	38	-1.0	-39.31	332.45	4.81	-34.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCCC2=N1	REAL300019923302	1	38	-1.0	-39.28	332.49	4.83	-34.45
CC1=C(C)NC(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923303	0	37	-1.0	-41.93	336.78	5.24	-36.69
CC1=C(C)NC(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923303	1	37	-1.0	-41.91	336.82	5.24	-36.67
CS(C)(=O)=NC(=O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923304	0	32	-1.0	-59.15	309.82	0.42	-58.73
CS(C)(=O)=NC(=O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923304	1	32	-1.0	-59.17	309.83	0.42	-58.75
O=C(C=CCCCCCCCO)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923305	0	46	-1.0	-38.16	396.40	5.64	-32.52
O=C(C=CCCCCCCCO)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923305	1	46	-1.0	-38.13	396.44	5.63	-32.50
O=C(C#CC1CCC(=O)CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923306	0	37	-1.0	-39.86	336.67	6.73	-33.13
O=C(C#CC1CCC(=O)CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923306	1	37	-1.0	-40.44	335.69	6.70	-33.74
COC(=O)[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1(F)F	REAL300019923307	0	33	-1.0	-36.19	320.42	5.29	-30.90
COC(=O)[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1(F)F	REAL300019923307	1	33	-1.0	-36.15	320.46	5.30	-30.85
CC(C(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)(F)F	REAL300019923308	0	32	-1.0	-34.56	303.73	5.23	-29.33
CC(C(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)F	REAL300019923308	1	32	-1.0	-34.62	303.79	5.24	-29.38
COC1(C2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2)COC1	REAL300019923309	0	42	-1.0	-35.84	358.61	5.32	-30.52
COC1(C2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2)COC1	REAL300019923309	1	42	-1.0	-35.91	357.64	5.29	-30.62
CC1=CNC(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923310	0	36	-1.0	-39.92	324.54	4.73	-35.19
CC1=CNC(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923310	1	36	-1.0	-39.88	324.59	4.73	-35.15
CCC1=NC=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923311	0	34	-1.0	-37.21	325.53	5.13	-32.08
CCC1=NC=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923311	1	34	-1.0	-37.17	325.57	5.14	-32.03
CC1=CC2=C(C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N2)S1	REAL300019923312	0	34	-1.0	-35.61	322.95	5.78	-29.83
CC1=CC2=C(C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N2)S1	REAL300019923312	1	34	-1.0	-35.59	322.99	5.78	-29.81
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)=C2	REAL300019923313	0	46	-1.0	-50.23	377.04	6.65	-43.58
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)=C2	REAL300019923313	1	46	-1.0	-50.17	377.08	6.66	-43.51
N#CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019923314	0	30	-2.0	-93.79	297.80	2.40	-91.39
N#CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019923314	1	30	-2.0	-93.71	297.86	2.40	-91.31
CCCC(CC)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923315	0	41	-1.0	-34.04	334.11	6.98	-27.06
CCCC(CC)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923315	1	41	-1.0	-34.00	334.15	6.98	-27.02
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC2=C1CSC2	REAL300019923316	0	32	-1.0	-35.25	306.90	5.57	-29.68
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC2=C1CSC2	REAL300019923316	1	32	-1.0	-35.25	306.95	5.57	-29.68
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923317	0	51	-1.0	-35.20	415.63	10.27	-24.93
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923317	1	51	-1.0	-35.20	415.66	10.27	-24.93
CC1=CC=C2OC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=C1	REAL300019923318	0	36	-1.0	-38.07	327.32	6.98	-31.09
CC1=CC=C2OC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=C1	REAL300019923318	1	36	-1.0	-38.05	327.36	6.98	-31.07
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2SCCCC2=C1	REAL300019923319	0	38	-1.0	-37.54	340.79	8.19	-29.35
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2SCCCC2=C1	REAL300019923319	1	38	-1.0	-37.57	340.83	8.19	-29.38
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2SCCCCC2=C1	REAL300019923320	0	41	-1.0	-35.93	357.81	8.80	-27.13
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2SCCCCC2=C1	REAL300019923320	1	41	-1.0	-35.86	357.86	8.80	-27.06
CC1=CC=C2C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=COC2=C1	REAL300019923321	0	36	-1.0	-37.54	328.30	7.01	-30.53
CC1=CC=C2C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=COC2=C1	REAL300019923321	1	36	-1.0	-37.43	327.30	6.99	-30.44
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923322	0	38	-1.0	-47.73	333.51	0.99	-46.74
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923322	1	38	-1.0	-47.73	333.55	0.99	-46.74
COC(=O)CCC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923323	0	42	-1.0	-39.05	376.56	8.25	-30.80
COC(=O)CCC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923323	1	42	-1.0	-39.02	376.60	8.26	-30.76
CC(C)=CCC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300019923324	0	43	-1.0	-33.98	378.24	9.44	-24.54
CC(C)=CCC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300019923324	1	43	-1.0	-34.09	377.18	9.42	-24.67
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C(Cl)S2)N1	REAL300019923325	0	31	-1.0	-32.82	318.10	5.58	-27.24
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C(Cl)S2)N1	REAL300019923325	1	31	-1.0	-32.82	318.15	5.58	-27.24
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300019923326	0	37	-1.0	-45.32	344.00	5.53	-39.79
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300019923326	1	37	-1.0	-45.29	343.96	5.52	-39.77
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923327	0	38	-1.0	-38.35	344.07	7.04	-31.31
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923327	1	38	-1.0	-38.34	344.02	7.03	-31.31
COC1(C(F)(F)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCOCC1	REAL300019923328	0	41	-1.0	-35.92	342.65	4.55	-31.37
COC1(C(F)(F)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCOCC1	REAL300019923328	1	41	-1.0	-35.87	342.72	4.55	-31.32
CC(C)(C)C1=NN(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019923329	0	40	-1.0	-38.62	356.94	4.33	-34.29
CC(C)(C)C1=NN(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019923329	1	40	-1.0	-38.68	356.89	4.31	-34.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1C(F)(F)C12CC2	REAL300019923330	0	31	-1.0	-35.27	297.81	6.07	-29.20
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C(F)(F)C12CC2	REAL300019923330	1	31	-1.0	-35.27	297.85	6.07	-29.20
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300019923331	0	41	-1.0	-38.35	368.59	9.01	-29.34
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300019923331	1	41	-1.0	-38.34	368.64	9.01	-29.33
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(C2CC2(F)F)C=C1	REAL300019923332	0	34	-1.0	-49.50	326.74	5.51	-43.99
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(C2CC2(F)F)C=C1	REAL300019923332	1	34	-1.0	-49.57	326.70	5.51	-44.06
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)C1=CC=C(F)C=C1	REAL300019923333	0	33	-1.0	-35.17	312.97	6.77	-28.40
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)C1=CC=C(F)C=C1	REAL300019923333	1	33	-1.0	-35.15	313.01	6.78	-28.37
C=CCOC(=O)NCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923334	0	35	-1.0	-35.53	327.10	2.30	-33.23
C=CCOC(=O)NCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923334	1	35	-1.0	-35.50	327.15	2.30	-33.20
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300019923335	0	44	-1.0	-37.22	374.48	9.53	-27.69
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300019923335	1	44	-1.0	-37.20	374.52	9.54	-27.66
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300019923336	0	40	-1.0	-37.20	357.69	6.45	-30.75
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300019923336	1	40	-1.0	-37.17	357.64	6.46	-30.71
COCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)OC=C1	REAL300019923337	0	34	-1.0	-38.12	314.70	3.83	-34.29
COCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)OC=C1	REAL300019923337	1	34	-1.0	-38.09	314.74	3.83	-34.26
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC2=CC(F)=CC(F)=C12	REAL300019923338	0	33	-1.0	-35.97	315.72	6.45	-29.52
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC2=CC(F)=CC(F)=C12	REAL300019923338	1	33	-1.0	-35.93	315.77	6.45	-29.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(CCCF)N=N1	REAL300019923339	0	35	-1.0	-46.71	327.99	4.06	-42.65
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(CCCF)N=N1	REAL300019923339	1	35	-1.0	-46.79	327.95	4.06	-42.73
N#CC1=C2N=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CN2N=C1	REAL300019923340	0	33	-1.0	-37.25	321.86	5.37	-31.88
N#CC1=C2N=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CN2N=C1	REAL300019923340	1	33	-1.0	-37.26	321.82	5.37	-31.89
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC=C(OCC2CC2)C=C1F	REAL300019923341	0	40	-1.0	-39.39	362.06	6.12	-33.27
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC=C(OCC2CC2)C=C1F	REAL300019923341	1	40	-1.0	-39.40	362.02	6.12	-33.28
CN1N=CC2=C1SC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)=C2	REAL300019923342	0	33	-1.0	-37.76	318.94	5.07	-32.69
COC1=CC=CC=C1N1C=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923343	0	41	-1.0	-46.08	369.96	7.75	-38.33
COC1=CC=CC=C1N1C=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923343	1	41	-1.0	-46.12	369.92	7.75	-38.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CCOCC2)N=C1	REAL300019923344	0	42	-1.0	-35.46	363.86	4.71	-30.75
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CCOCC2)N=C1	REAL300019923344	1	42	-1.0	-35.41	363.90	4.71	-30.70
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2C=CCC(C2)C1	REAL300019923345	0	41	-1.0	-34.63	330.63	7.53	-27.10
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2C=CCC(C2)C1	REAL300019923345	1	41	-1.0	-34.63	330.68	7.54	-27.09
COC1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923346	0	33	-1.0	-37.16	302.83	3.48	-33.68
COC1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923346	1	33	-1.0	-37.18	302.78	3.48	-33.70
CC1CCN(C2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300019923347	0	48	-1.0	-36.58	391.77	7.87	-28.71
CC1CCN(C2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300019923347	1	48	-1.0	-36.31	390.80	7.85	-28.46
O=C(C[C@H]1COC(=O)N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923348	0	32	-1.0	-41.42	293.53	1.01	-40.41
O=C(C[C@H]1COC(=O)N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923348	1	32	-1.0	-41.43	293.58	1.00	-40.43
O=C(CC1=CC=NC=C1Cl)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923349	0	32	-1.0	-34.93	312.07	5.32	-29.61
O=C(CC1=CC=NC=C1Cl)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923349	1	32	-1.0	-34.89	312.12	5.33	-29.56
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(O)C=C2N1	REAL300019923350	0	35	-1.0	-37.17	321.99	3.06	-34.11
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(O)C=C2N1	REAL300019923350	1	35	-1.0	-37.20	322.04	3.06	-34.14
CC1=CC(=O)N2N=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C2N1	REAL300019923351	0	36	-1.0	-44.63	330.86	4.37	-40.26
CC1=CC(=O)N2N=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C2N1	REAL300019923351	1	36	-1.0	-44.65	330.90	4.37	-40.28
CS(=N)(=O)C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923352	0	37	-1.0	-44.49	344.30	2.81	-41.68
CS(=N)(=O)C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923352	1	37	-1.0	-44.49	344.34	2.81	-41.68
CN1C=CN=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923353	0	30	-1.0	-43.07	279.64	4.47	-38.60
CN1C=CN=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923353	1	30	-1.0	-43.04	279.59	4.46	-38.58
COC1=CC=C(C(C)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1F	REAL300019923354	0	40	-1.0	-37.45	354.30	6.58	-30.87
COC1=CC=C(C(C)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1F	REAL300019923354	1	40	-1.0	-37.43	354.35	6.58	-30.85
COC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(F)(F)C1	REAL300019923355	0	37	-1.0	-35.90	328.65	5.75	-30.15
COC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(F)(F)C1	REAL300019923355	1	37	-1.0	-35.89	328.70	5.76	-30.13
O=C(COC1CCCOC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923356	0	38	-1.0	-36.47	330.38	4.19	-32.28
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CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)S(N)(=O)=O	REAL300019923370	1	31	-1.0	-44.08	296.39	-1.23	-45.31
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CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC1	REAL300019923378	0	39	-1.0	-34.43	330.24	7.12	-27.31
CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC1	REAL300019923378	1	39	-1.0	-34.41	330.28	7.13	-27.28
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CCC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N1C=CC=N1	REAL300019923386	0	36	-1.0	-34.96	318.71	5.38	-29.58
CCC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N1C=CC=N1	REAL300019923386	1	36	-1.0	-34.93	318.67	5.36	-29.57
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CCOCC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CS1	REAL300019923387	1	36	-1.0	-42.87	341.93	3.70	-39.17
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=NN1C1CCOC1	REAL300019923388	0	40	-1.0	-47.57	351.41	3.11	-44.46
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=NN1C1CCOC1	REAL300019923388	1	40	-1.0	-47.49	351.45	3.11	-44.38
CC(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1F	REAL300019923389	0	35	-1.0	-37.52	325.48	6.57	-30.95
CC(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1F	REAL300019923389	1	35	-1.0	-37.50	325.53	6.57	-30.93
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O=C(CCOC1CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923392	1	34	-1.0	-34.63	308.78	4.52	-30.11
COCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923393	0	34	-1.0	-36.85	310.92	2.29	-34.56
COCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923393	1	34	-1.0	-36.92	310.85	2.29	-34.63
CC1=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL300019923394	0	37	-1.0	-34.40	348.45	7.06	-27.34
CC1=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL300019923394	1	37	-1.0	-34.37	348.49	7.06	-27.31
CC1=C(C)NC(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923395	0	39	-1.0	-40.47	345.29	5.28	-35.19
CC1=C(C)NC(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923395	1	39	-1.0	-40.41	345.34	5.29	-35.12
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N#CCCCOC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923396	1	44	-1.0	-42.85	396.60	8.23	-34.62
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NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=NN1CCO	REAL300019923399	0	36	-1.0	-39.05	325.58	0.24	-38.81
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=NN1CCO	REAL300019923399	1	36	-1.0	-39.09	325.54	0.24	-38.85
NC(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300019923400	0	34	-1.0	-37.07	325.20	3.29	-33.78
NC(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300019923400	1	34	-1.0	-37.06	325.24	3.29	-33.77
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CCN1C=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923403	0	33	-1.0	-42.84	320.30	5.16	-37.68
CCN1C=C(Cl)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923403	1	33	-1.0	-42.88	320.26	5.15	-37.73
CC1(C)OC[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019923404	0	35	-1.0	-34.98	312.27	3.94	-31.04
CC1(C)OC[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019923404	1	35	-1.0	-34.96	312.32	3.95	-31.01
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COC1=NSC(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923406	0	34	-1.0	-36.09	331.97	3.19	-32.90
COC1=NSC(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923406	1	34	-1.0	-36.06	332.02	3.19	-32.87
CC(C)C1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CO1	REAL300019923407	0	35	-1.0	-40.73	320.53	2.67	-38.06
CC(C)C1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CO1	REAL300019923407	1	35	-1.0	-40.72	320.57	2.68	-38.04
CC(C)CC1=NN=C2C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC=CN12	REAL300019923408	0	44	-1.0	-58.47	377.76	9.14	-49.33
CC(C)CC1=NN=C2C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC=CN12	REAL300019923408	1	44	-1.0	-58.48	377.79	9.14	-49.34
COC1(C(F)(F)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCC1	REAL300019923409	0	37	-1.0	-36.14	323.78	4.56	-31.58
COC1(C(F)(F)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCC1	REAL300019923409	1	37	-1.0	-36.11	323.83	4.56	-31.55
CCC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCOCC1	REAL300019923410	0	43	-1.0	-35.70	342.01	5.59	-30.11
CCC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCOCC1	REAL300019923410	1	43	-1.0	-35.71	342.06	5.59	-30.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CSC(CC(F)(F)F)=N1	REAL300019923411	0	32	-1.0	-43.43	327.90	4.85	-38.58
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CSC(CC(F)(F)F)=N1	REAL300019923411	1	32	-1.0	-41.92	326.90	4.83	-37.09
N#C[C@@]1(O)C[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019923412	0	32	-1.0	-37.02	300.91	1.86	-35.16
N#C[C@@]1(O)C[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923412	1	32	-1.0	-36.95	300.95	1.87	-35.08
O=C(CCC1CCC(=O)NC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923413	0	40	-1.0	-38.72	342.30	3.66	-35.06
O=C(CCC1CCC(=O)NC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923413	1	40	-1.0	-38.75	342.34	3.67	-35.08
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC2=C(F)C=C(F)C=C12	REAL300019923414	0	33	-1.0	-33.70	318.73	6.44	-27.26
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC2=C(F)C=C(F)C=C12	REAL300019923414	1	33	-1.0	-33.67	318.78	6.45	-27.22
CCC1=CC=CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N=C21	REAL300019923415	0	41	-1.0	-43.74	362.44	7.98	-35.76
CCC1=CC=CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N=C21	REAL300019923415	1	41	-1.0	-43.75	362.40	7.98	-35.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)CC1CCCC1	REAL300019923416	0	39	-1.0	-34.66	331.60	7.01	-27.65
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)CC1CCCC1	REAL300019923416	1	39	-1.0	-34.66	331.65	7.01	-27.65
CC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1C(F)(F)F	REAL300019923417	0	39	-1.0	-38.01	327.01	7.28	-30.73
CC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1C(F)(F)F	REAL300019923417	1	39	-1.0	-37.96	327.06	7.28	-30.68
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2(C1)CCCO2	REAL300019923418	0	38	-1.0	-35.26	325.46	5.00	-30.26
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2(C1)CCCO2	REAL300019923418	1	38	-1.0	-36.26	326.52	5.04	-31.22
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=O)NCCC2=C1	REAL300019923419	0	38	-1.0	-41.65	337.76	4.45	-37.20
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=O)NCCC2=C1	REAL300019923419	1	38	-1.0	-41.61	337.81	4.46	-37.15
CC(C)N1CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCC1=O	REAL300019923420	0	43	-1.0	-34.81	354.66	5.74	-29.07
CC(C)N1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCC1=O	REAL300019923420	1	43	-1.0	-34.79	354.70	5.74	-29.05
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2CNC(=O)C2=C1	REAL300019923421	0	35	-1.0	-43.18	319.41	3.46	-39.72
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2CNC(=O)C2=C1	REAL300019923421	1	35	-1.0	-43.18	319.45	3.46	-39.72
CCOC(=O)C1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CS1	REAL300019923422	0	35	-1.0	-47.51	343.66	4.68	-42.83
CCOC(=O)C1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CS1	REAL300019923422	1	35	-1.0	-47.52	343.62	4.68	-42.84
NC(=O)C1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923423	0	30	-1.0	-35.64	295.74	0.09	-35.55
NC(=O)C1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923423	1	30	-1.0	-35.64	295.70	0.09	-35.55
C[C@@H](CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300019923424	0	42	-1.0	-36.23	362.69	6.54	-29.69
C[C@@H](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300019923424	1	42	-1.0	-37.35	363.76	6.59	-30.76
O=C(CC1CCCC2(CCC2)O1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923425	0	44	-1.0	-38.24	360.71	7.32	-30.92
O=C(CC1CCCC2(CCC2)O1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923425	1	44	-1.0	-38.20	360.75	7.33	-30.87
CC1=C(Br)C=NN1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923426	0	33	-1.0	-35.18	324.59	5.14	-30.04
CC1=C(Br)C=NN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923426	1	33	-1.0	-35.19	324.64	5.15	-30.04
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CNC(=O)CC12CCC2	REAL300019923427	0	41	-1.0	-36.91	340.63	3.92	-32.99
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CNC(=O)CC12CCC2	REAL300019923427	1	41	-1.0	-36.87	340.67	3.93	-32.94
COC1C[C@@H]2CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C[C@H]12	REAL300019923428	0	41	-1.0	-37.24	340.99	5.83	-31.41
COC1C[C@@H]2CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C[C@H]12	REAL300019923428	1	41	-1.0	-37.23	341.03	5.83	-31.40
CC1=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=CC=C2O1	REAL300019923429	0	36	-1.0	-39.35	325.25	7.16	-32.19
CC1=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=CC=C2O1	REAL300019923429	1	36	-1.0	-39.39	325.29	7.16	-32.23
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1CCC2=CC=CC=C21	REAL300019923430	0	37	-1.0	-36.37	324.08	7.75	-28.62
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1CCC2=CC=CC=C21	REAL300019923430	1	37	-1.0	-36.34	324.12	7.75	-28.59
CC1(C)C2CCC1(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)CC2	REAL300019923431	0	46	-1.0	-34.21	356.39	7.99	-26.22
CC1(C)C2CCC1(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC2	REAL300019923431	1	46	-1.0	-34.16	356.43	7.99	-26.17
O=C(CN1C=C(C2CCOC2)C=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923432	0	41	-1.0	-38.08	360.08	4.80	-33.28
O=C(CN1C=C(C2CCOC2)C=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923432	1	41	-1.0	-38.12	360.03	4.79	-33.33
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2(CCC2)CC1	REAL300019923434	1	43	-1.0	-34.03	347.10	7.87	-26.16
CCC1=CC2=C(OCC2)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923435	0	41	-1.0	-42.28	355.04	8.10	-34.18
CCC1=CC2=C(OCC2)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923435	1	41	-1.0	-42.22	355.08	8.10	-34.12
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O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CS1	REAL300019923437	0	30	-1.0	-33.66	309.24	6.02	-27.64
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NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923438	0	37	-1.0	-41.22	341.17	-0.86	-42.08
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923438	1	37	-1.0	-41.26	341.21	-0.86	-42.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(OCC2CC2)=C1	REAL300019923439	0	41	-1.0	-37.43	361.24	7.81	-29.62
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(OCC2CC2)=C1	REAL300019923439	1	41	-1.0	-37.40	361.28	7.81	-29.59
CSC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300019923440	0	34	-1.0	-35.23	329.78	7.49	-27.74
CSC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300019923440	1	34	-1.0	-35.24	329.83	7.50	-27.74
CC(F)(F)C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923441	0	36	-1.0	-36.53	331.42	7.52	-29.01
CC(F)(F)C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923441	1	36	-1.0	-36.56	331.46	7.52	-29.04
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2C=CSC2=C1	REAL300019923442	0	33	-1.0	-36.72	315.10	7.37	-29.35
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2C=CSC2=C1	REAL300019923442	1	33	-1.0	-36.70	315.14	7.37	-29.33
COC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC(C)=N1	REAL300019923443	0	36	-1.0	-37.52	327.20	3.34	-34.18
COC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC(C)=N1	REAL300019923443	1	36	-1.0	-37.49	326.24	3.31	-34.18
CC1=NC=C2CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)CCC2=N1	REAL300019923444	0	41	-1.0	-35.81	353.61	6.29	-29.52
CC1=NC=C2CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)CCC2=N1	REAL300019923444	1	41	-1.0	-35.86	353.66	6.30	-29.56
CC1=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300019923445	0	36	-1.0	-38.82	342.52	6.41	-32.41
CC1=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300019923445	1	36	-1.0	-38.81	342.57	6.41	-32.40
CCC1=NC=C2CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)CCC2=N1	REAL300019923446	0	44	-1.0	-35.80	375.09	6.90	-28.90
CCC1=NC=C2CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)CCC2=N1	REAL300019923446	1	44	-1.0	-35.73	375.14	6.90	-28.83
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)(F)OC1=CC=CC=C1	REAL300019923447	0	34	-1.0	-36.99	321.03	6.61	-30.38
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)OC1=CC=CC=C1	REAL300019923447	1	34	-1.0	-36.97	321.08	6.63	-30.34
CC1=CN(CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2)N=C1	REAL300019923448	0	43	-1.0	-40.28	382.90	8.31	-31.97
CC1=CN(CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2)N=C1	REAL300019923448	1	43	-1.0	-41.20	383.87	8.33	-32.87
COCCC(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923449	0	42	-1.0	-34.51	343.93	5.13	-29.38
COCCC(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923449	1	42	-1.0	-34.51	343.97	5.13	-29.38
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC(C(F)F)=N1	REAL300019923450	0	29	-1.0	-44.47	291.36	1.57	-42.90
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC(C(F)F)=N1	REAL300019923450	1	29	-1.0	-44.43	291.41	1.57	-42.86
CCSC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923451	0	33	-1.0	-35.88	305.81	5.58	-30.30
CCSC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923451	1	33	-1.0	-35.85	305.86	5.59	-30.26
O=C(CC1COCCO1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923452	0	35	-1.0	-36.94	306.82	3.53	-33.41
O=C(CC1COCCO1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923452	1	35	-1.0	-37.94	307.88	3.55	-34.39
CCC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019923453	0	39	-1.0	-34.51	327.04	6.70	-27.81
CCC1(C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923453	1	39	-1.0	-34.44	327.08	6.71	-27.73
CC(F)(F)C(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923454	0	38	-1.0	-35.12	319.78	6.14	-28.98
CC(F)(F)C(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923454	1	38	-1.0	-35.09	319.82	6.14	-28.95
CN1C=CC(C23CC(CC2)C3C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923455	0	44	-1.0	-42.65	373.60	7.23	-35.42
CN1C=CC(C23CC(CC2)C3C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923455	1	44	-1.0	-42.67	373.55	7.22	-35.45
O=C(CCC=CBr)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923456	0	30	-1.0	-33.76	298.62	5.74	-28.02
O=C(CCC=CBr)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923456	1	30	-1.0	-33.71	298.66	5.74	-27.97
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)F	REAL300019923457	0	32	-1.0	-33.82	292.01	5.29	-28.53
CC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)F	REAL300019923457	1	32	-1.0	-33.75	292.05	5.30	-28.45
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(C)C=N1	REAL300019923458	0	35	-1.0	-35.00	311.28	5.51	-29.49
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(C)C=N1	REAL300019923458	1	35	-1.0	-34.97	311.34	5.51	-29.46
CC1=CC(F)=CC(C(C)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923459	0	39	-1.0	-35.42	346.38	7.94	-27.48
CC1=CC(F)=CC(C(C)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923459	1	39	-1.0	-35.38	346.43	7.94	-27.44
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923460	0	36	-1.0	-38.39	341.43	5.73	-32.66
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923460	1	36	-1.0	-38.43	341.39	5.73	-32.70
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923461	0	39	-1.0	-35.96	350.52	7.98	-27.98
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923461	1	39	-1.0	-37.39	351.48	8.02	-29.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCC2=CC=NN21	REAL300019923462	0	37	-1.0	-42.14	321.56	5.66	-36.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC2=CC=NN21	REAL300019923462	1	37	-1.0	-42.08	321.60	5.66	-36.42
O=C(COC1=CC=CC=C1C(F)F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923463	0	37	-1.0	-42.50	344.34	7.44	-35.06
O=C(COC1=CC=CC=C1C(F)F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923463	1	37	-1.0	-42.50	344.38	7.45	-35.05
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2(F)F)=C1	REAL300019923464	0	37	-1.0	-39.28	338.43	8.18	-31.10
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL300019923464	1	37	-1.0	-39.24	338.47	8.19	-31.05
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCC2=C1	REAL300019923465	0	36	-1.0	-38.76	317.75	6.06	-32.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCC2=C1	REAL300019923465	1	36	-1.0	-38.72	317.79	6.06	-32.66
CC1=NC(C2CC2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923466	0	38	-1.0	-35.05	336.80	6.31	-28.74
CC1=NC(C2CC2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923466	1	38	-1.0	-35.07	336.99	6.33	-28.74
CC1(C)CCOC1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923467	0	40	-1.0	-36.78	333.04	5.54	-31.24
CC1(C)CCOC1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923467	1	40	-1.0	-36.76	333.08	5.54	-31.22
CC1=NN=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N1C	REAL300019923468	0	38	-1.0	-40.88	338.64	6.30	-34.58
CC1=NN=C(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N1C	REAL300019923468	1	38	-1.0	-40.91	338.67	6.30	-34.61
CCC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(C)=N1	REAL300019923469	0	37	-1.0	-34.46	326.76	5.22	-29.24
CCC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(C)=N1	REAL300019923469	1	37	-1.0	-34.36	326.80	5.22	-29.14
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923470	0	45	-1.0	-35.40	379.12	5.34	-30.06
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923470	1	45	-1.0	-35.41	379.16	5.34	-30.07
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300019923471	0	41	-1.0	-35.28	333.12	5.38	-29.90
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300019923471	1	41	-1.0	-35.32	333.17	5.38	-29.94
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2CC1C1C2C1(F)F	REAL300019923472	0	38	-1.0	-35.86	323.04	7.15	-28.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2CC1C1C2C1(F)F	REAL300019923472	1	38	-1.0	-35.83	323.08	7.15	-28.68
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL300019923473	0	40	-1.0	-36.07	350.02	6.73	-29.34
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1C2CC1(C1=CN=CS1)CC2	REAL300019923473	1	40	-1.0	-36.10	349.97	6.73	-29.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2(CC1)COCCO2	REAL300019923474	0	45	-1.0	-35.47	357.62	4.95	-30.52
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2(CC1)COCCO2	REAL300019923474	1	45	-1.0	-35.36	357.66	4.96	-30.40
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NC2=NC=CN=C12	REAL300019923475	0	33	-1.0	-42.15	306.61	3.89	-38.26
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NC2=NC=CN=C12	REAL300019923475	1	33	-1.0	-42.24	307.61	3.91	-38.33
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923476	0	33	-1.0	-38.56	332.82	7.12	-31.44
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923476	1	33	-1.0	-38.50	332.87	7.12	-31.38
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300019923477	0	41	-1.0	-36.39	361.32	8.55	-27.84
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300019923477	1	41	-1.0	-36.36	361.36	8.56	-27.80
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300019923478	0	36	-1.0	-47.92	338.56	-0.92	-48.84
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300019923478	1	36	-1.0	-47.94	338.52	-0.92	-48.86
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300019923479	0	37	-1.0	-34.80	320.42	6.94	-27.86
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300019923479	1	37	-1.0	-34.77	320.47	6.94	-27.83
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NC(C)=N1	REAL300019923480	0	34	-1.0	-38.96	314.00	4.64	-34.32
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NC(C)=N1	REAL300019923480	1	34	-1.0	-38.94	313.00	4.62	-34.32
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)O1	REAL300019923481	0	38	-1.0	-41.07	338.94	3.31	-37.76
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)O1	REAL300019923481	1	38	-1.0	-41.06	338.99	3.31	-37.75
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NNC2=CC=C(F)C=C21	REAL300019923482	0	33	-1.0	-41.68	312.57	4.70	-36.98
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NNC2=CC=C(F)C=C21	REAL300019923482	1	33	-1.0	-41.66	312.61	4.70	-36.96
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(O)C1=CC(F)=C(F)C=C1F	REAL300019923483	0	34	-1.0	-35.45	323.44	4.88	-30.57
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(O)C1=CC(F)=C(F)C=C1F	REAL300019923483	1	34	-1.0	-35.42	323.48	4.89	-30.53
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300019923484	0	34	-1.0	-33.95	329.88	4.80	-29.15
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300019923484	1	34	-1.0	-34.02	329.93	4.80	-29.22
CCC1=NN(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300019923485	0	36	-1.0	-33.65	332.21	5.83	-27.82
CCC1=NN(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300019923485	1	36	-1.0	-33.65	332.27	5.83	-27.82
O=C(CSC1=CC=CC(F)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923486	0	34	-1.0	-34.70	326.77	7.18	-27.52
O=C(CSC1=CC=CC(F)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923486	1	34	-1.0	-34.70	326.81	7.18	-27.52
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(=O)NC2=NC=CC=C21	REAL300019923487	0	37	-1.0	-40.18	332.68	4.06	-36.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(=O)NC2=NC=CC=C21	REAL300019923487	1	37	-1.0	-40.20	332.63	4.06	-36.14
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=NS1	REAL300019923488	0	29	-1.0	-35.19	280.48	4.43	-30.76
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=NS1	REAL300019923488	1	29	-1.0	-35.21	280.52	4.44	-30.77
CC1=CC(C)=C2NC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300019923489	0	40	-1.0	-36.02	353.52	7.23	-28.79
CC1=CC(C)=C2NC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300019923489	1	40	-1.0	-36.02	353.56	7.24	-28.78
CC1=NC2=C(NC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C2)S1	REAL300019923490	0	33	-1.0	-36.42	318.91	3.86	-32.56
CC1=NC2=C(NC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C2)S1	REAL300019923490	1	33	-1.0	-36.43	318.95	3.86	-32.57
CC1(C)OCC2=C1NN=C2C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923491	0	38	-1.0	-40.15	337.61	2.99	-37.16
CC1(C)OCC2=C1NN=C2C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923491	1	38	-1.0	-40.08	337.65	2.99	-37.09
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NNC(C2CCOCC2)=C1	REAL300019923492	0	41	-1.0	-40.91	354.94	3.84	-37.07
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NNC(C2CCOCC2)=C1	REAL300019923492	1	41	-1.0	-40.96	354.98	3.85	-37.11
O=C(C=CC1=CN=CC=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923493	0	32	-1.0	-39.09	304.97	3.84	-35.25
O=C(C=CC1=CN=CC=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923493	1	32	-1.0	-39.07	305.02	3.84	-35.23
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(C2CCCC2)N=C1	REAL300019923494	0	40	-1.0	-38.02	345.11	6.38	-31.64
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(C2CCCC2)N=C1	REAL300019923494	1	40	-1.0	-37.97	346.08	6.38	-31.59
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NOC2=C1CC(F)(F)CC2	REAL300019923495	0	36	-1.0	-41.59	329.37	6.08	-35.51
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL300019923495	1	36	-1.0	-41.59	329.41	6.08	-35.51
O=C(CCN1C=CC2=CC=CN=C21)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923496	0	39	-1.0	-38.89	351.01	7.82	-31.07
O=C(CCN1C=CC2=CC=CN=C21)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923496	1	39	-1.0	-38.84	350.96	7.82	-31.02
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1F	REAL300019923497	0	35	-1.0	-38.93	329.96	7.88	-31.05
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1F	REAL300019923497	1	35	-1.0	-38.89	329.99	7.88	-31.01
CCCC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CS1	REAL300019923498	0	35	-1.0	-41.65	330.40	5.24	-36.41
CCCC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CS1	REAL300019923498	1	35	-1.0	-41.41	329.40	5.22	-36.19
CC1=NN(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300019923499	0	33	-1.0	-33.78	310.74	5.09	-28.69
CC1=NN(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300019923499	1	33	-1.0	-33.74	310.72	5.10	-28.64
CC(C)(C)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N1	REAL300019923500	0	40	-1.0	-35.70	347.07	6.14	-29.56
CC(C)(C)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N1	REAL300019923500	1	40	-1.0	-35.69	347.12	6.14	-29.55
O=C(CS(=O)(=O)C1=CC=CC=C1F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923501	0	36	-1.0	-45.14	345.27	3.70	-41.44
O=C(CS(=O)(=O)C1=CC=CC=C1F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923501	1	36	-1.0	-45.15	345.32	3.71	-41.44
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C(F)C(F)=C1	REAL300019923502	0	29	-1.0	-31.83	285.98	4.21	-27.62
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C(F)C(F)=C1	REAL300019923502	1	29	-1.0	-31.84	285.93	4.21	-27.63
COC1=CC=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N=C2N1	REAL300019923503	0	37	-1.0	-53.09	336.88	4.12	-48.97
COC1=CC=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N=C2N1	REAL300019923503	1	37	-1.0	-53.06	336.92	4.12	-48.94
COC(=O)C(OC)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923504	0	33	-1.0	-36.19	308.68	4.29	-31.90
COC(=O)C(OC)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923504	1	33	-1.0	-36.17	308.72	4.29	-31.88
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923505	0	36	-1.0	-41.06	321.21	6.52	-34.54
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923505	1	36	-1.0	-41.03	321.24	6.52	-34.51
COC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(C)S1	REAL300019923506	0	36	-1.0	-42.35	341.28	6.43	-35.92
COC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(C)S1	REAL300019923506	1	36	-1.0	-42.32	341.33	6.44	-35.88
CC(C)(C)C1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CN1	REAL300019923507	0	39	-1.0	-45.28	342.57	5.11	-40.17
CC(C)(C)C1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CN1	REAL300019923507	1	39	-1.0	-45.19	342.61	5.11	-40.08
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300019923508	0	33	-1.0	-42.58	324.35	6.30	-36.28
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300019923508	1	33	-1.0	-42.63	324.31	6.30	-36.33
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CCC2=CC=CC=C21	REAL300019923509	0	37	-1.0	-37.46	320.55	7.89	-29.57
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CCC2=CC=CC=C21	REAL300019923509	1	37	-1.0	-37.45	320.60	7.89	-29.56
CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300019923510	0	36	-1.0	-39.66	325.21	5.73	-33.93
CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300019923510	1	36	-1.0	-39.79	324.21	5.72	-34.07
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2CCOC2=C1	REAL300019923511	0	35	-1.0	-38.00	314.05	5.85	-32.15
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2CCOC2=C1	REAL300019923511	1	35	-1.0	-37.97	314.09	5.86	-32.11
COC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1F	REAL300019923512	0	33	-1.0	-43.60	308.64	3.66	-39.94
COC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1F	REAL300019923512	1	33	-1.0	-43.62	308.59	3.65	-39.97
N#CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923513	0	31	-1.0	-51.61	304.62	4.37	-47.24
N#CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923513	1	31	-1.0	-51.61	304.58	4.37	-47.24
O=C(CSC1=CC=CC(Cl)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923514	0	34	-1.0	-34.37	337.09	7.62	-26.75
O=C(CSC1=CC=CC(Cl)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923514	1	34	-1.0	-34.37	337.13	7.63	-26.74
O=C(CC1C[C@@H]2COC[C@H]12)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923515	0	38	-1.0	-34.64	318.79	4.86	-29.78
O=C(CC1C[C@@H]2COC[C@H]12)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923515	1	38	-1.0	-34.64	318.84	4.86	-29.78
COCC1=CN=C(OC)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923516	0	40	-1.0	-40.16	357.36	3.54	-36.62
COCC1=CN=C(OC)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923516	1	40	-1.0	-39.11	358.36	3.56	-35.55
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923517	0	43	-1.0	-37.24	378.43	9.35	-27.89
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923517	1	43	-1.0	-37.21	378.47	9.35	-27.86
COC1=CC=C(C(C)=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923518	0	41	-1.0	-36.93	362.04	7.29	-29.64
COC1=CC=C(C(C)=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923518	1	41	-1.0	-36.91	362.10	7.31	-29.60
O=C(CN1N=NC(C2CC2)=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923519	0	35	-1.0	-38.45	326.58	4.23	-34.22
O=C(CN1N=NC(C2CC2)=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923519	1	35	-1.0	-38.42	326.62	4.24	-34.18
CC1(C)OC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300019923520	0	39	-1.0	-36.20	346.37	6.29	-29.91
CC1(C)OC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300019923520	1	39	-1.0	-36.13	346.40	6.29	-29.84
COC1=CC2=C(OCC2)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923521	0	39	-1.0	-40.74	341.66	5.94	-34.80
COC1=CC2=C(OCC2)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923521	1	39	-1.0	-40.66	341.70	5.95	-34.71
CC1=CC(=O)N(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019923522	0	38	-1.0	-45.27	344.69	6.08	-39.19
CC1=CC(=O)N(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019923522	1	38	-1.0	-45.25	344.73	6.09	-39.16
CC1=CSC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)N=CN=C12	REAL300019923523	0	34	-1.0	-39.57	325.87	5.99	-33.58
CC1=CSC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)N=CN=C12	REAL300019923523	1	34	-1.0	-39.64	325.82	5.98	-33.66
CCN1C=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923524	0	32	-1.0	-45.93	300.15	5.29	-40.64
CCN1C=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923524	1	32	-1.0	-45.94	300.10	5.29	-40.65
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300019923525	0	44	-1.0	-40.07	379.59	6.23	-33.84
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300019923525	1	44	-1.0	-40.01	379.64	6.23	-33.78
N#CCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923526	0	31	-1.0	-37.74	284.86	4.32	-33.42
N#CCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923526	1	31	-1.0	-37.78	284.82	4.33	-33.45
CC(C)CC(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923527	0	35	-1.0	-34.95	309.30	5.79	-29.16
CC(C)CC(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923527	1	35	-1.0	-34.99	309.33	5.79	-29.20
C=C(Cl)CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923528	0	30	-1.0	-33.47	294.17	5.56	-27.91
C=C(Cl)CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923528	1	30	-1.0	-33.49	294.21	5.56	-27.93
CC(CC1CCC1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923529	0	39	-1.0	-34.22	324.74	6.93	-27.29
CC(CC1CCC1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923529	1	39	-1.0	-34.20	324.79	6.93	-27.27
O=C(CCCC1CCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923530	0	39	-1.0	-34.30	334.06	7.32	-26.98
O=C(CCCC1CCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923530	1	39	-1.0	-34.32	334.10	7.33	-26.99
O=C(CC1=NN=C2COCCN12)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923531	0	37	-1.0	-43.89	331.89	4.12	-39.77
O=C(CC1=NN=C2COCCN12)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923531	1	37	-1.0	-43.87	331.94	4.15	-39.72
CC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1N	REAL300019923532	0	35	-1.0	-37.26	307.53	5.02	-32.24
CC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1N	REAL300019923532	1	35	-1.0	-37.24	307.58	5.02	-32.22
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923533	0	32	-1.0	-33.03	318.12	5.27	-27.76
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923533	1	32	-1.0	-33.00	318.17	5.28	-27.72
NC1=CC=C(Br)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923534	0	32	-1.0	-36.81	309.33	4.84	-31.97
NC1=CC=C(Br)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923534	1	32	-1.0	-36.73	309.37	4.84	-31.89
NC1=CC=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923535	0	32	-1.0	-37.01	304.77	4.73	-32.28
NC1=CC=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923535	1	32	-1.0	-36.97	304.81	4.73	-32.24
NC1=C(Cl)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923536	0	32	-1.0	-33.81	302.44	4.79	-29.02
NC1=C(Cl)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923536	1	32	-1.0	-33.79	302.48	4.79	-29.00
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300019923537	0	35	-1.0	-33.79	323.87	5.39	-28.40
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300019923537	1	35	-1.0	-33.77	323.92	5.39	-28.38
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923538	0	32	-1.0	-35.37	299.70	4.31	-31.06
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923538	1	32	-1.0	-35.37	299.74	4.31	-31.06
NC1=C(F)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923539	0	32	-1.0	-33.91	293.51	4.30	-29.61
NC1=C(F)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923539	1	32	-1.0	-33.89	293.56	4.32	-29.57
NC1=C(Br)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923540	0	32	-1.0	-33.68	306.53	4.92	-28.76
NC1=C(Br)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923540	1	32	-1.0	-33.70	306.58	4.93	-28.77
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=CC(Cl)=C1Cl	REAL300019923541	0	32	-1.0	-31.57	317.55	5.25	-26.32
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=CC(Cl)=C1Cl	REAL300019923541	1	32	-1.0	-31.53	317.60	5.25	-26.28
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923542	0	35	-1.0	-36.44	320.27	4.37	-32.07
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923542	1	35	-1.0	-36.43	320.31	4.38	-32.05
CC1=CC(F)=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1N	REAL300019923543	0	35	-1.0	-37.87	311.19	5.03	-32.84
CC1=CC(F)=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1N	REAL300019923543	1	35	-1.0	-37.92	311.24	5.03	-32.89
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923544	0	35	-1.0	-38.15	325.62	5.18	-32.97
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923544	1	35	-1.0	-38.21	325.66	5.19	-33.02
CC1=CC(Cl)=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1N	REAL300019923545	0	35	-1.0	-36.94	321.51	5.47	-31.47
CC1=CC(Cl)=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1N	REAL300019923545	1	35	-1.0	-36.94	321.55	5.47	-31.47
CC1=CC(Cl)=C(N)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923546	0	35	-1.0	-34.10	322.79	5.43	-28.67
CC1=CC(Cl)=C(N)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923546	1	35	-1.0	-34.10	322.84	5.44	-28.66
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923547	0	32	-1.0	-34.56	309.57	4.75	-29.81
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923547	1	32	-1.0	-34.53	309.61	4.77	-29.76
CC1=C(F)C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1N	REAL300019923548	0	35	-1.0	-34.34	313.05	5.04	-29.30
CC1=C(F)C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1N	REAL300019923548	1	35	-1.0	-34.31	313.10	5.05	-29.26
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(N)=C1Cl	REAL300019923549	0	35	-1.0	-34.34	320.07	5.35	-28.99
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(N)=C1Cl	REAL300019923549	1	35	-1.0	-34.35	320.11	5.35	-29.00
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(N)C=C1F	REAL300019923550	0	35	-1.0	-33.95	313.68	4.89	-29.06
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(N)C=C1F	REAL300019923550	1	35	-1.0	-33.97	313.72	4.90	-29.07
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923551	0	32	-1.0	-33.58	307.81	4.83	-28.75
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923551	1	32	-1.0	-33.59	307.85	4.84	-28.75
COC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(N)=C1F	REAL300019923552	0	36	-1.0	-34.82	321.65	3.60	-31.22
COC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(N)=C1F	REAL300019923552	1	36	-1.0	-34.83	321.69	3.61	-31.22
COC1=C(F)C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(N)=C1F	REAL300019923553	0	36	-1.0	-34.09	333.66	3.80	-30.29
COC1=C(F)C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(N)=C1F	REAL300019923553	1	36	-1.0	-34.06	333.71	3.80	-30.26
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923554	0	32	-1.0	-34.51	318.87	5.16	-29.35
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923554	1	32	-1.0	-34.50	318.92	5.17	-29.33
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=CC(Cl)=C1F	REAL300019923555	0	32	-1.0	-31.57	309.65	4.80	-26.77
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=CC(Cl)=C1F	REAL300019923555	1	32	-1.0	-31.50	309.69	4.81	-26.69
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923556	0	35	-1.0	-38.37	320.11	4.30	-34.07
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923556	1	35	-1.0	-38.40	320.15	4.31	-34.09
O=C(CC1=CC=C(O)C=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923557	0	33	-1.0	-38.68	306.30	2.19	-36.49
O=C(CC1=CC=C(O)C=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923557	1	33	-1.0	-38.68	306.34	2.18	-36.50
C=CN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923558	0	31	-1.0	-36.98	289.66	4.91	-32.07
C=CN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923558	1	31	-1.0	-36.85	289.52	4.91	-31.94
C[NH+](C)CCSCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923559	0	39	0.0	-55.77	345.32	6.36	-49.41
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CN1C(=S)NN=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923574	0	30	-1.0	-34.67	295.54	4.69	-29.98
CN1C(=S)NN=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923574	1	30	-1.0	-34.68	295.58	4.69	-29.99
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CCC1(C)C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923586	1	37	-1.0	-36.44	322.00	6.70	-29.74
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CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CN21	REAL300019923589	0	37	0.0	-48.28	330.05	7.69	-40.59
CC1=NC=C2C=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CN12	REAL300019923589	1	36	-1.0	-36.25	326.62	7.24	-29.01
C#CC[C@]1(O)C[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019923590	0	36	-1.0	-39.87	322.33	4.63	-35.24
C#CC[C@]1(O)C[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923590	1	36	-1.0	-39.92	322.36	4.63	-35.29
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923591	0	33	-1.0	-35.26	321.14	5.66	-29.60
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923591	1	33	-1.0	-35.30	321.18	5.66	-29.64
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CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923593	0	47	-1.0	-35.89	400.90	2.04	-33.85
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923593	1	47	-1.0	-35.92	400.95	2.05	-33.87
CCC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N1C=CN=C1	REAL300019923594	0	36	-1.0	-35.09	320.23	6.73	-28.36
CCC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)N1C=CN=C1	REAL300019923594	1	36	-1.0	-35.11	320.27	6.75	-28.36
CCC(F)(F)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923595	0	32	-1.0	-37.71	294.64	5.36	-32.35
CCC(F)(F)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923595	1	32	-1.0	-37.68	294.68	5.37	-32.31
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CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019923597	0	45	-1.0	-38.64	385.97	6.09	-32.55
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019923597	1	45	-1.0	-38.60	386.01	6.10	-32.50
CC(C)(C)OC(=O)NCC=C(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923598	0	44	-1.0	-38.76	386.69	4.13	-34.63
CC(C)(C)OC(=O)NCC=C(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923598	1	44	-1.0	-38.75	385.70	4.11	-34.64
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CCN1CCOCC1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923600	0	42	-1.0	-34.94	342.98	2.66	-32.28
CC[N@@H+]1CCOCC1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923600	1	43	0.0	-51.87	341.15	4.71	-47.16
CC[N@H+]1CCOCC1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923600	1	43	0.0	-51.63	340.81	4.73	-46.90
CCN1CCOCC1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923600	1	42	-1.0	-34.90	343.02	2.66	-32.24
CCOC(=O)CCC(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923601	0	38	-1.0	-36.61	352.00	6.32	-30.29
CCOC(=O)CCC(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923601	1	38	-1.0	-36.58	352.05	6.33	-30.25
COC1=CC(OC)=C(N)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923602	0	40	-1.0	-39.87	344.79	2.91	-36.96
COC1=CC(OC)=C(N)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923602	1	40	-1.0	-39.89	344.83	2.92	-36.97
C[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300019923603	0	39	-1.0	-35.87	343.59	5.83	-30.04
C[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300019923603	1	39	-1.0	-35.89	343.63	5.85	-30.04
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CC1=CN(C2=CC=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C2)N=C1	REAL300019923604	1	40	-1.0	-42.14	358.47	7.87	-34.27
CC(CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923605	0	39	-1.0	-34.83	351.58	8.04	-26.79
CC(CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923605	1	39	-1.0	-34.87	351.62	8.06	-26.81
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC(F)=CC=C21	REAL300019923606	0	36	-1.0	-36.33	325.13	8.30	-28.03
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC(F)=CC=C21	REAL300019923606	1	36	-1.0	-36.34	325.18	8.31	-28.03
CN1C(Br)=CN=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923607	0	30	-1.0	-37.96	299.31	4.90	-33.06
CN1C(Br)=CN=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923607	1	30	-1.0	-37.97	299.27	4.90	-33.07
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C2OC=CC2=C1	REAL300019923608	0	32	-1.0	-39.87	300.60	3.29	-36.58
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C2OC=CC2=C1	REAL300019923608	1	32	-1.0	-39.84	300.56	3.29	-36.55
C=CCC(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923609	0	39	-1.0	-33.51	325.19	6.68	-26.83
C=CCC(C)(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923609	1	39	-1.0	-33.48	325.23	6.68	-26.80
CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)OC	REAL300019923610	0	36	-1.0	-36.09	310.73	4.86	-31.23
CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)OC	REAL300019923610	1	36	-1.0	-36.08	310.78	4.86	-31.22
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1CC1(F)F	REAL300019923611	0	34	-1.0	-33.64	314.50	5.78	-27.86
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1CC1(F)F	REAL300019923611	1	34	-1.0	-33.61	314.47	5.78	-27.83
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019923612	0	43	-1.0	-35.64	360.17	6.10	-29.54
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923612	1	43	-1.0	-35.65	360.22	6.10	-29.55
CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC1	REAL300019923613	0	42	-1.0	-34.00	342.72	7.55	-26.45
CCC(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019923613	1	42	-1.0	-34.00	342.76	7.56	-26.44
CCOC1=CC=C2NC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019923614	0	44	-1.0	-36.08	379.97	6.80	-29.28
CCOC1=CC=C2NC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019923614	1	44	-1.0	-36.12	380.01	6.80	-29.32
CCC1=CC=C2NC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019923615	0	43	-1.0	-36.19	371.43	8.04	-28.15
CCC1=CC=C2NC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019923615	1	43	-1.0	-36.15	371.48	8.03	-28.12
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL300019923616	0	43	-1.0	-37.15	364.23	7.70	-29.45
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL300019923616	1	43	-1.0	-37.15	364.28	7.72	-29.43
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL300019923617	0	46	-1.0	-35.97	388.63	8.51	-27.46
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300019923617	1	46	-1.0	-35.97	388.67	8.51	-27.46
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923618	0	41	-1.0	-40.96	365.98	6.09	-34.87
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923618	1	41	-1.0	-40.95	365.94	6.08	-34.87
CC1=NC=CC=C1C=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923619	0	36	-1.0	-36.70	325.45	5.93	-30.77
CC1=NC=CC=C1C=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923619	1	36	-1.0	-36.71	325.50	5.93	-30.78
CC1=CN=CC=C1C=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923620	0	36	-1.0	-36.40	325.60	5.96	-30.44
CC1=CN=CC=C1C=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923620	1	36	-1.0	-36.39	325.65	5.96	-30.43
CNC(=O)C1=CN=CC(C=CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923621	0	40	-1.0	-41.50	364.24	3.69	-37.81
CNC(=O)C1=CN=CC(C=CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923621	1	40	-1.0	-41.47	364.28	3.69	-37.78
O=C(C=CC1=CC=NC(Cl)=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923622	0	33	-1.0	-35.42	324.65	5.88	-29.54
O=C(C=CC1=CC=NC(Cl)=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923622	1	33	-1.0	-35.36	324.69	5.88	-29.48
COC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1N	REAL300019923623	0	36	-1.0	-36.83	315.28	3.60	-33.23
COC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1N	REAL300019923623	1	36	-1.0	-36.86	315.32	3.60	-33.26
COC1=CC=C(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1N	REAL300019923624	0	39	-1.0	-38.33	343.14	3.68	-34.65
COC1=CC=C(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1N	REAL300019923624	1	39	-1.0	-38.40	343.18	3.70	-34.70
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O=C(C=CC1=CC=NC2=CC=CC=C12)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923625	1	39	-1.0	-37.96	351.53	7.50	-30.46
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923626	0	37	-1.0	-34.37	338.80	7.91	-26.46
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923626	1	37	-1.0	-34.35	338.84	7.91	-26.44
CC(=CC1=CC=CS1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923627	0	34	-1.0	-35.78	310.83	6.56	-29.22
CC(=CC1=CC=CS1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923627	1	34	-1.0	-35.74	310.88	6.58	-29.16
NS(=O)(=O)C1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019923628	0	41	-1.0	-43.14	358.87	1.14	-42.00
NS(=O)(=O)C1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019923628	1	41	-1.0	-43.08	358.92	1.14	-41.94
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300019923629	0	36	-1.0	-42.45	340.45	7.10	-35.35
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300019923629	1	36	-1.0	-42.49	340.41	7.10	-35.39
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(O)C1=CC=C(F)C(Cl)=C1	REAL300019923630	0	34	-1.0	-33.11	332.71	5.21	-27.90
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(O)C1=CC=C(F)C(Cl)=C1	REAL300019923630	1	34	-1.0	-33.10	332.76	5.21	-27.89
COC1=CSC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1OC	REAL300019923631	0	35	-1.0	-39.07	330.99	4.88	-34.19
COC1=CSC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1OC	REAL300019923631	1	35	-1.0	-39.04	331.02	4.90	-34.14
CSC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019923632	0	37	-1.0	-35.60	358.34	8.15	-27.45
CSC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019923632	1	37	-1.0	-34.98	359.40	8.18	-26.80
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2CCC(C2)C1	REAL300019923633	0	40	-1.0	-34.63	320.19	7.00	-27.63
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2CCC(C2)C1	REAL300019923633	1	40	-1.0	-34.63	320.27	7.01	-27.62
CC1=CC2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300019923634	0	38	-1.0	-39.88	340.87	7.04	-32.84
CC1=CC2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300019923634	1	38	-1.0	-39.71	339.90	7.01	-32.70
COC1=C(F)C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1F	REAL300019923635	0	34	-1.0	-35.25	321.20	5.53	-29.72
COC1=C(F)C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1F	REAL300019923635	1	34	-1.0	-35.22	321.25	5.53	-29.69
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300019923636	0	36	-1.0	-39.27	341.79	6.06	-33.21
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300019923636	1	36	-1.0	-40.19	340.80	6.04	-34.15
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=CC(C2=COC=C2)=C1	REAL300019923637	0	36	-1.0	-38.43	332.45	5.81	-32.62
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=CC(C2=COC=C2)=C1	REAL300019923637	1	36	-1.0	-38.41	332.40	5.81	-32.60
CC1(C)C(=O)CC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923638	0	35	-1.0	-33.56	308.95	5.05	-28.51
CC1(C)C(=O)CC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923638	1	35	-1.0	-33.53	309.01	5.05	-28.48
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923639	0	36	-1.0	-34.80	314.18	6.43	-28.37
CC(C)[C@@H]1C[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923639	1	36	-1.0	-35.38	315.23	6.45	-28.93
CC1(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCS1(=O)=O	REAL300019923640	0	39	-1.0	-40.75	335.74	2.95	-37.80
CC1(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCS1(=O)=O	REAL300019923640	1	39	-1.0	-40.71	335.80	2.95	-37.76
CCCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)OC=N1	REAL300019923641	0	35	-1.0	-37.56	317.18	2.82	-34.74
CCCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)OC=N1	REAL300019923641	1	35	-1.0	-37.55	317.22	2.82	-34.73
COC1=CC(F)=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1N	REAL300019923642	0	36	-1.0	-36.65	321.75	3.67	-32.98
COC1=CC(F)=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1N	REAL300019923642	1	36	-1.0	-36.65	321.79	3.68	-32.97
CC1=CC=C(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923643	0	35	-1.0	-42.03	312.85	5.55	-36.48
CC1=CC=C(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923643	1	35	-1.0	-42.00	312.90	5.56	-36.44
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300019923644	0	36	-1.0	-39.70	321.97	4.40	-35.30
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300019923644	1	36	-1.0	-39.69	321.93	4.39	-35.30
CCCC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923645	0	42	-1.0	-35.66	367.23	8.89	-26.77
CCCC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923645	1	42	-1.0	-35.66	367.27	8.91	-26.75
CC(C)N1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300019923646	0	39	-1.0	-38.74	341.59	6.13	-32.61
CC(C)N1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300019923646	1	39	-1.0	-38.76	340.63	6.11	-32.65
O=C(CCCCN1C(=O)CCC1=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923647	0	42	-1.0	-43.40	372.58	5.71	-37.69
O=C(CCCCN1C(=O)CCC1=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923647	1	42	-1.0	-43.39	372.62	5.72	-37.67
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL300019923648	0	42	-1.0	-35.58	359.68	8.40	-27.18
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL300019923648	1	42	-1.0	-35.54	359.70	8.40	-27.14
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CNC(Cl)=N1	REAL300019923649	0	27	-1.0	-42.62	277.24	3.25	-39.37
C=CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCOCC1	REAL300019923650	0	41	-1.0	-34.44	330.96	5.11	-29.33
C=CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCOCC1	REAL300019923650	1	41	-1.0	-34.38	331.01	5.11	-29.27
CN1C=CC(N2C=NC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300019923651	0	37	-1.0	-48.90	344.35	7.20	-41.70
CN1C=CC(N2C=NC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C2)=N1	REAL300019923651	1	37	-1.0	-48.92	344.31	7.20	-41.72
CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923652	0	37	-1.0	-35.19	331.81	7.82	-27.37
CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923652	1	37	-1.0	-35.16	331.86	7.82	-27.34
CCCCC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CS1	REAL300019923653	0	38	-1.0	-42.00	350.89	6.00	-36.00
CCCCC1=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CS1	REAL300019923653	1	38	-1.0	-41.98	350.93	6.00	-35.98
O=C(CF)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923654	0	35	-1.0	-38.29	327.00	6.63	-31.66
O=C(CF)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923654	1	35	-1.0	-38.29	327.05	6.64	-31.65
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2C=CNC2=CN=C1	REAL300019923655	0	33	-1.0	-44.24	301.01	4.21	-40.03
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2C=CNC2=CN=C1	REAL300019923655	1	33	-1.0	-44.20	301.06	4.21	-39.99
CN(CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL300019923656	0	39	-1.0	-38.59	359.86	6.19	-32.40
CN(CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL300019923656	1	39	-1.0	-38.60	359.90	6.20	-32.40
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CC(C)C1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923705	1	39	-1.0	-34.74	330.98	6.93	-27.81
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C(C(F)(F)F)S1	REAL300019923706	0	29	-1.0	-31.68	306.73	4.32	-27.36
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C(C(F)(F)F)S1	REAL300019923706	1	29	-1.0	-31.68	306.69	4.31	-27.37
COC1=CC=C2NN=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=C1	REAL300019923707	0	37	-1.0	-44.81	335.54	3.93	-40.88
COC1=CC=C2NN=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=C1	REAL300019923707	1	37	-1.0	-44.79	335.58	3.93	-40.86
COC1=CC=C2NC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300019923708	0	41	-1.0	-36.34	358.11	5.87	-30.47
COC1=CC=C2NC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300019923708	1	41	-1.0	-36.26	358.16	5.88	-30.38
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923709	0	39	-1.0	-34.32	352.03	8.09	-26.23
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923709	1	39	-1.0	-34.30	352.07	8.09	-26.21
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NNC1=O	REAL300019923710	0	32	-1.0	-36.34	299.55	2.15	-34.19
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NNC1=O	REAL300019923710	1	32	-1.0	-36.29	299.60	2.16	-34.13
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2C=CC=CN2N=N1	REAL300019923711	0	32	-1.0	-50.70	301.92	4.36	-46.34
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2C=CC=CN2N=N1	REAL300019923711	1	32	-1.0	-50.71	301.88	4.36	-46.35
CC1CCC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1C	REAL300019923712	0	45	-1.0	-34.05	359.72	8.02	-26.03
CC1CCC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1C	REAL300019923712	1	45	-1.0	-34.01	359.77	8.02	-25.99
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC=CC2=NC=CC=C21	REAL300019923713	0	34	-1.0	-40.56	310.15	4.62	-35.94
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC=CC2=NC=CC=C21	REAL300019923713	1	34	-1.0	-40.62	310.10	4.62	-36.00
CC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019923714	0	31	-1.0	-43.49	292.73	4.09	-39.40
CC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019923714	1	31	-1.0	-43.62	291.74	4.08	-39.54
CCN(CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019923715	0	49	-1.0	-40.83	407.05	6.95	-33.88
CCN(CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019923715	1	49	-1.0	-40.78	407.09	6.96	-33.82
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL300019923716	0	35	-1.0	-40.27	329.93	4.33	-35.94
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL300019923716	1	35	-1.0	-40.31	329.88	4.33	-35.98
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923717	0	36	-1.0	-34.27	332.54	7.23	-27.04
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923717	1	36	-1.0	-34.27	332.58	7.23	-27.04
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL300019923718	0	36	-1.0	-38.36	336.96	5.57	-32.79
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL300019923718	1	36	-1.0	-38.32	336.91	5.57	-32.75
O=C(CC1CCS(=O)(=O)CC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923719	0	39	-1.0	-42.07	341.33	2.97	-39.10
O=C(CC1CCS(=O)(=O)CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923719	1	39	-1.0	-42.09	341.37	2.98	-39.11
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(CC(F)F)N=C1	REAL300019923720	0	33	-1.0	-40.69	316.65	4.94	-35.75
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(CC(F)F)N=C1	REAL300019923720	1	33	-1.0	-40.68	316.61	4.94	-35.74
CN1C=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1=O	REAL300019923721	0	32	-1.0	-52.52	294.90	4.78	-47.74
CN1C=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1=O	REAL300019923721	1	32	-1.0	-51.70	293.97	4.93	-46.77
CC1=CC=C(C=CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923722	0	40	-1.0	-36.15	355.29	8.67	-27.48
CC1=CC=C(C=CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923722	1	40	-1.0	-36.15	355.33	8.68	-27.47
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=CN1	REAL300019923723	0	35	-1.0	-42.64	328.40	1.68	-40.96
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=CN1	REAL300019923723	1	35	-1.0	-42.63	328.44	1.68	-40.95
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019923723	1	34	-2.0	-98.69	327.13	1.19	-97.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019923723	1	34	-2.0	-98.62	327.18	1.19	-97.43
O=C(C=CC1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923724	0	34	-1.0	-36.78	312.74	7.19	-29.59
O=C(C=CC1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923724	1	34	-1.0	-36.74	312.78	7.19	-29.55
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCN2C=NN=C12	REAL300019923725	0	36	-1.0	-50.77	313.37	7.17	-43.60
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCN2C=NN=C12	REAL300019923725	1	36	-1.0	-50.74	313.40	7.17	-43.57
CC1(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=N1	REAL300019923726	0	32	-1.0	-35.29	296.53	0.33	-34.96
CC1(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=N1	REAL300019923726	1	32	-1.0	-35.27	296.57	0.34	-34.93
CC(C)C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1F	REAL300019923727	0	39	-1.0	-39.02	340.58	7.93	-31.09
CC(C)C1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1F	REAL300019923727	1	39	-1.0	-39.03	340.62	7.93	-31.10
CC(C)C1=CC=C(F)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923728	0	39	-1.0	-39.07	341.94	7.98	-31.09
CC(C)C1=CC=C(F)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923728	1	39	-1.0	-39.02	341.98	7.98	-31.04
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C(F)C2=CC=CC=C2C=C1	REAL300019923729	0	36	-1.0	-39.85	327.96	8.32	-31.53
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL300019923729	1	36	-1.0	-39.84	326.96	8.30	-31.54
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)CF)C=C1	REAL300019923730	0	36	-1.0	-36.70	337.92	7.68	-29.02
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL300019923730	1	36	-1.0	-36.61	337.96	7.69	-28.92
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CN=CC=N1	REAL300019923731	0	31	-1.0	-39.40	300.17	3.75	-35.65
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL300019923731	1	31	-1.0	-39.37	300.13	3.75	-35.62
CC(C)(C)OC(=O)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923732	0	38	-1.0	-38.21	329.70	6.52	-31.69
CC(C)(C)OC(=O)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923732	1	38	-1.0	-38.21	329.74	6.52	-31.69
COC1=CC=C(C#CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923733	0	36	-1.0	-38.39	338.42	6.65	-31.74
COC1=CC=C(C#CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923733	1	36	-1.0	-38.38	338.46	6.65	-31.73
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923734	0	46	-1.0	-39.12	397.11	4.26	-34.86
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923734	1	46	-1.0	-39.13	397.15	4.26	-34.87
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923735	0	44	-1.0	-39.28	375.95	9.53	-29.75
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923735	1	44	-1.0	-39.25	376.04	9.54	-29.71
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923736	0	44	-1.0	-37.48	361.99	10.05	-27.43
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923736	1	44	-1.0	-37.46	362.05	10.05	-27.41
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=CN=CNC2=N1	REAL300019923737	0	32	-1.0	-52.63	301.90	5.16	-47.47
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=CN=CNC2=N1	REAL300019923737	1	32	-1.0	-52.62	301.94	5.16	-47.46
CC(C)(C)C(=O)CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923738	0	40	-1.0	-37.00	344.91	6.21	-30.79
CC(C)(C)C(=O)CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923738	1	40	-1.0	-36.99	344.95	6.21	-30.78
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=CC(F)=N1	REAL300019923739	0	28	-1.0	-38.41	275.67	2.35	-36.06
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=CC(F)=N1	REAL300019923739	1	28	-1.0	-38.32	276.64	2.38	-35.94
CC1=NC(C#N)=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923740	0	33	-1.0	-32.36	310.16	5.18	-27.18
CC1=NC(C#N)=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923740	1	33	-1.0	-32.37	310.21	5.18	-27.19
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923741	0	39	-1.0	-35.79	351.63	8.01	-27.78
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923741	1	39	-1.0	-35.77	351.68	8.02	-27.75
CN1C(=O)N(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=C1C1CC1	REAL300019923742	0	40	-1.0	-47.17	363.73	6.45	-40.72
CN1C(=O)N(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=C1C1CC1	REAL300019923742	1	40	-1.0	-47.11	363.77	6.46	-40.65
CCN1C(=O)N(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=C1C	REAL300019923743	0	39	-1.0	-48.74	353.61	5.89	-42.85
CCN1C(=O)N(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=C1C	REAL300019923743	1	39	-1.0	-48.70	353.66	5.91	-42.79
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(C2CC2)=CC=N1	REAL300019923744	0	36	-1.0	-40.61	324.87	6.36	-34.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(C2CC2)=CC=N1	REAL300019923744	1	36	-1.0	-40.58	324.92	6.38	-34.20
NS(=O)(=O)C1=CSC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923745	0	32	-1.0	-41.38	325.86	-0.07	-41.45
NS(=O)(=O)C1=CSC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923745	1	32	-1.0	-41.40	325.91	-0.08	-41.48
CC(C)(C)C1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019923746	0	38	-1.0	-36.99	339.69	3.57	-33.42
CC(C)(C)C1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019923746	1	38	-1.0	-36.99	339.65	3.57	-33.42
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C1	REAL300019923747	0	35	-1.0	-36.97	318.77	7.75	-29.22
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C1	REAL300019923747	1	35	-1.0	-36.87	318.82	7.75	-29.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C2C(=O)NC=CC2=C1	REAL300019923748	0	35	-1.0	-48.26	325.11	3.44	-44.82
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C2C(=O)NC=CC2=C1	REAL300019923748	1	35	-1.0	-48.25	325.15	3.44	-44.81
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923749	0	44	-1.0	-44.25	389.20	7.66	-36.59
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923749	1	44	-1.0	-44.22	389.24	7.67	-36.55
CCC(C)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300019923750	0	42	-1.0	-51.28	358.91	5.88	-45.40
CCC(C)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300019923750	1	42	-1.0	-51.26	359.01	5.88	-45.38
CC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923751	0	32	-1.0	-41.48	295.93	4.92	-36.56
CC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923751	1	32	-1.0	-41.46	295.97	4.93	-36.53
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923752	0	40	-1.0	-34.82	366.90	8.38	-26.44
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923752	1	40	-1.0	-34.82	366.94	8.39	-26.43
CC1(F)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019923753	0	33	-1.0	-34.34	295.82	5.62	-28.72
CC1(F)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019923753	1	33	-1.0	-34.35	295.87	5.63	-28.72
CC1=CC=C(OC(C)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300019923754	0	43	-1.0	-36.76	371.58	8.54	-28.22
CC1=CC=C(OC(C)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300019923754	1	43	-1.0	-36.77	371.63	8.55	-28.22
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300019923755	0	36	-1.0	-36.46	335.43	8.73	-27.73
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COC(=O)CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923786	0	39	-1.0	-42.97	355.16	7.45	-35.52
COC(=O)CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923786	1	39	-1.0	-42.95	355.20	7.45	-35.50
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CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923788	0	47	-1.0	-44.65	396.69	5.88	-38.77
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CC(C)(C)N1C=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019923905	1	42	-1.0	-38.85	364.59	6.46	-32.39
O=C(CC1CC2CC2C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923906	0	37	-1.0	-34.59	316.60	7.08	-27.51
O=C(CC1CC2CC2C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923906	1	37	-1.0	-34.55	316.65	7.09	-27.46
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019923907	0	37	-1.0	-47.97	340.59	6.11	-41.86
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019923907	1	37	-1.0	-47.96	340.62	6.11	-41.85
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019923908	0	30	-2.0	-87.76	305.04	5.97	-81.79
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019923908	1	30	-2.0	-87.68	305.08	5.97	-81.71
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019923909	0	40	-1.0	-40.46	355.84	7.05	-33.41
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019923909	1	40	-1.0	-40.39	355.88	7.05	-33.34
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923910	0	42	-1.0	-42.49	376.14	4.42	-38.07
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923910	1	42	-1.0	-42.46	376.18	4.42	-38.04
CC1=NNC2=C1CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)CC2	REAL300019923911	0	40	-1.0	-35.26	342.99	5.32	-29.94
CC1=NNC2=C1CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC2	REAL300019923911	1	40	-1.0	-35.25	343.01	5.32	-29.93
CC1=C2CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)CCC2=NN1	REAL300019923911	1	40	-1.0	-36.91	342.16	5.33	-31.58
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923912	0	41	-1.0	-38.12	362.67	5.86	-32.26
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923912	1	41	-1.0	-38.14	362.72	5.87	-32.27
CSC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019923913	0	36	-1.0	-33.69	341.96	7.55	-26.14
CSC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019923913	1	36	-1.0	-33.65	340.98	7.52	-26.13
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CCCOC1	REAL300019923914	0	32	-1.0	-36.69	285.50	3.84	-32.85
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CCCOC1	REAL300019923914	1	32	-1.0	-36.62	285.54	3.84	-32.78
NS(=O)(=O)C1=COC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923915	0	32	-1.0	-43.45	317.92	-1.14	-44.59
NS(=O)(=O)C1=COC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923915	1	32	-1.0	-43.47	317.97	-1.14	-44.61
N#CC1=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=NN2C=C1	REAL300019923916	0	34	-1.0	-41.07	325.69	6.13	-34.94
N#CC1=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=NN2C=C1	REAL300019923916	1	34	-1.0	-41.08	325.66	6.12	-34.96
CCC1=NON=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923917	0	31	-1.0	-34.99	293.08	3.98	-31.01
CCC1=NON=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923917	1	31	-1.0	-34.98	293.14	3.98	-31.00
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923918	0	44	-1.0	-40.40	381.95	4.79	-35.61
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923918	1	44	-1.0	-40.37	381.99	4.79	-35.58
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN2N=NC=C2C=C1	REAL300019923919	0	32	-1.0	-35.38	300.09	4.49	-30.89
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN2N=NC=C2C=C1	REAL300019923919	1	32	-1.0	-35.42	300.05	4.50	-30.92
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)[C@H](C)O1	REAL300019923920	0	41	-1.0	-41.77	356.01	3.93	-37.84
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)[C@H](C)O1	REAL300019923920	1	41	-1.0	-41.74	356.05	3.94	-37.80
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN(CCO)N=N1	REAL300019923921	0	33	-1.0	-43.70	312.33	-0.17	-43.87
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN(CCO)N=N1	REAL300019923921	1	33	-1.0	-43.71	312.29	-0.17	-43.88
O=C(CCNC1=CN=CN=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923922	0	36	-1.0	-36.30	327.80	3.66	-32.64
O=C(CCNC1=CN=CN=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923922	1	36	-1.0	-36.33	327.75	3.65	-32.68
O=C(CC1CC2(CCC2)C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923923	0	40	-1.0	-34.43	339.61	7.60	-26.83
O=C(CC1CC2(CCC2)C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923923	1	40	-1.0	-34.39	339.65	7.61	-26.78
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCC(F)(F)CC1	REAL300019923924	0	39	-1.0	-34.29	327.47	6.85	-27.44
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC(F)(F)CC1	REAL300019923924	1	39	-1.0	-34.31	327.52	6.86	-27.45
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923925	0	37	-1.0	-36.98	331.12	5.12	-31.86
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923925	1	37	-1.0	-36.96	331.17	5.13	-31.83
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NOC(CF)=C1	REAL300019923926	0	29	-1.0	-41.75	285.43	4.23	-37.52
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NOC(CF)=C1	REAL300019923926	1	29	-1.0	-41.69	285.47	4.23	-37.46
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019923927	0	38	-1.0	-42.24	349.83	7.35	-34.89
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019923927	1	38	-1.0	-42.20	349.87	7.35	-34.85
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019923928	0	37	-1.0	-37.95	339.67	8.24	-29.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019923928	1	37	-1.0	-39.12	338.70	8.21	-30.91
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2=CC=NN2C1	REAL300019923929	0	37	-1.0	-37.45	323.42	5.24	-32.21
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2=CC=NN2C1	REAL300019923929	1	37	-1.0	-37.41	323.47	5.25	-32.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2C=NSC2=CC=C1	REAL300019923930	0	32	-1.0	-35.19	304.88	6.03	-29.16
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2C=NSC2=CC=C1	REAL300019923930	1	32	-1.0	-35.08	305.85	6.05	-29.03
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NON=C21	REAL300019923931	0	31	-1.0	-38.65	293.52	4.82	-33.83
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NON=C21	REAL300019923931	1	31	-1.0	-38.69	293.47	4.82	-33.87
CN1C=C(OCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019923932	0	34	-1.0	-39.34	316.61	4.26	-35.08
CN1C=C(OCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019923932	1	34	-1.0	-39.40	316.57	4.26	-35.14
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC(C2CC2)=NC=C1Cl	REAL300019923933	0	35	-1.0	-37.91	334.56	6.21	-31.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC(C2CC2)=NC=C1Cl	REAL300019923933	1	35	-1.0	-37.92	334.60	6.22	-31.70
CN(C)C1=CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300019923934	0	44	-1.0	-39.94	374.85	8.62	-31.32
CN(C)C1=CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300019923934	1	44	-1.0	-39.89	374.89	8.64	-31.25
C#CC1=CC=C(C2CC2C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923935	0	39	-1.0	-36.69	356.98	9.20	-27.49
C#CC1=CC=C(C2CC2C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923935	1	39	-1.0	-37.91	358.04	9.23	-28.68
CN1N=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300019923936	0	42	-1.0	-35.09	368.90	7.08	-28.01
CN1N=CC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300019923936	1	42	-1.0	-35.06	368.95	7.09	-27.97
CCC1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923937	0	32	-1.0	-37.12	299.34	4.73	-32.39
CCC1=NOC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923937	1	32	-1.0	-37.09	299.39	4.74	-32.35
O=C(C=CC1=CC=NC=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923938	0	33	-1.0	-36.42	307.77	5.45	-30.97
O=C(C=CC1=CC=NC=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923938	1	33	-1.0	-36.36	307.82	5.45	-30.91
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2C(=O)NCCN2N=C1	REAL300019923939	0	35	-1.0	-47.26	317.25	2.62	-44.64
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2C(=O)NCCN2N=C1	REAL300019923939	1	35	-1.0	-46.81	316.25	2.58	-44.23
CC=CC1=CC=C(OCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(OC)=C1	REAL300019923940	0	45	-1.0	-40.36	393.77	8.20	-32.16
CC=CC1=CC=C(OCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(OC)=C1	REAL300019923940	1	45	-1.0	-40.33	393.81	8.21	-32.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(=O)CC12CCC2	REAL300019923941	0	39	-1.0	-35.19	331.97	6.52	-28.67
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(=O)CC12CCC2	REAL300019923941	1	39	-1.0	-35.11	332.01	6.52	-28.59
CC1=CNC2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C12	REAL300019923942	0	36	-1.0	-40.81	326.49	5.95	-34.86
CC1=CNC2=NC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C12	REAL300019923942	1	36	-1.0	-40.77	326.54	5.95	-34.82
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019923943	0	37	-1.0	-35.58	338.90	4.69	-30.89
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019923943	1	37	-1.0	-35.57	338.95	4.70	-30.87
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019923944	0	47	-1.0	-35.77	391.07	8.69	-27.08
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019923944	1	47	-1.0	-35.75	391.12	8.69	-27.06
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2)O1	REAL300019923945	0	41	-1.0	-44.90	373.12	3.39	-41.51
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2)O1	REAL300019923945	1	41	-1.0	-43.72	372.15	3.36	-40.36
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC2=CC=CN=C2C1	REAL300019923946	0	36	-1.0	-37.06	319.00	5.93	-31.13
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC2=CC=CN=C2C1	REAL300019923946	1	36	-1.0	-37.05	319.04	5.93	-31.12
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(C2CC2)=NO1	REAL300019923947	0	35	-1.0	-38.75	318.48	5.83	-32.92
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(C2CC2)=NO1	REAL300019923947	1	35	-1.0	-38.74	318.52	5.83	-32.91
CC1=CC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL300019923948	0	38	-1.0	-41.26	347.16	7.12	-34.14
CC1=CC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL300019923948	1	38	-1.0	-41.25	347.11	7.12	-34.13
CN1C=C(C2=NC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CO2)C=N1	REAL300019923949	0	36	-1.0	-46.58	341.20	2.14	-44.44
CN1C=C(C2=NC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CO2)C=N1	REAL300019923949	1	36	-1.0	-46.56	341.15	2.12	-44.44
COC1=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)NC2=C(C)C=C1	REAL300019923950	0	41	-1.0	-37.92	361.69	5.86	-32.06
COC1=C2C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)NC2=C(C)C=C1	REAL300019923950	1	41	-1.0	-37.86	361.73	5.86	-32.00
CCCCOC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019923951	0	46	-1.0	-36.32	397.20	8.48	-27.84
CCCCOC1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019923951	1	46	-1.0	-36.31	397.24	8.49	-27.82
COC1=NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300019923952	0	39	-1.0	-38.49	351.50	4.89	-33.60
COC1=NC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300019923952	1	39	-1.0	-38.49	351.45	4.89	-33.60
CC1=CN2C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CN=C2S1	REAL300019923953	0	33	-1.0	-36.31	313.36	6.43	-29.88
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(Cl)S1	REAL300019923954	0	27	-1.0	-31.85	302.38	6.07	-25.78
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(Cl)S1	REAL300019923954	1	27	-1.0	-31.83	302.42	6.07	-25.76
CC(C)(C)C1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923955	0	41	-1.0	-40.61	351.28	6.59	-34.02
CC(C)(C)C1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923955	1	41	-1.0	-40.62	351.23	6.58	-34.04
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1COC(=O)O1	REAL300019923956	0	28	-1.0	-37.36	270.42	4.00	-33.36
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1COC(=O)O1	REAL300019923956	1	28	-1.0	-37.32	270.46	4.00	-33.32
CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCOC1	REAL300019923957	0	37	-1.0	-34.97	312.96	4.24	-30.73
CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCOC1	REAL300019923957	1	37	-1.0	-34.92	313.01	4.25	-30.67
COC1CC2(C1)CCC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)CC2	REAL300019923958	0	47	-1.0	-35.05	381.08	6.85	-28.20
COC1CC2(C1)CCC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC2	REAL300019923958	1	47	-1.0	-34.99	381.12	6.85	-28.14
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923959	0	48	-1.0	-36.39	399.73	10.08	-26.31
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923959	1	48	-1.0	-36.43	399.78	10.08	-26.35
CCC(C)(C)C1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019923960	0	51	-1.0	-33.94	386.27	8.70	-25.24
CCC(C)(C)C1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019923960	1	51	-1.0	-33.99	386.30	8.70	-25.29
CC1=CC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CN=C2C=C1	REAL300019923961	0	38	-1.0	-39.31	340.93	7.04	-32.27
CC1=CC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CN=C2C=C1	REAL300019923961	1	38	-1.0	-39.34	340.89	7.04	-32.30
CN1C=C(C2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=NO2)N=N1	REAL300019923962	0	35	-1.0	-44.34	335.77	3.60	-40.74
CN1C=C(C2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=NO2)N=N1	REAL300019923962	1	35	-1.0	-44.32	335.81	3.60	-40.72
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300019923963	0	34	-1.0	-34.70	295.69	6.22	-28.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300019923963	1	34	-1.0	-34.73	295.74	6.23	-28.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1COC2COCC21	REAL300019923964	0	36	-1.0	-37.55	304.99	2.43	-35.12
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1COC2COCC21	REAL300019923964	1	36	-1.0	-37.58	305.04	2.44	-35.14
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2(CC(=O)C2)CC1	REAL300019923965	0	42	-1.0	-37.89	350.59	7.00	-30.89
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2(CC(=O)C2)CC1	REAL300019923965	1	42	-1.0	-37.86	350.63	7.00	-30.86
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCC(=O)C2=C1	REAL300019923966	0	37	-1.0	-40.01	334.17	5.75	-34.26
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL300019923966	1	37	-1.0	-39.98	334.22	5.75	-34.23
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923967	0	45	-1.0	-35.96	378.23	9.32	-26.64
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923967	1	45	-1.0	-35.98	378.28	9.32	-26.66
COC1(C(F)(F)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCCC1	REAL300019923968	0	40	-1.0	-36.38	337.82	6.29	-30.09
COC1(C(F)(F)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCCC1	REAL300019923968	1	40	-1.0	-36.35	337.88	6.30	-30.05
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923969	0	44	-1.0	-36.76	377.95	7.57	-29.19
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923969	1	44	-1.0	-36.82	377.99	7.58	-29.24
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC12CCC(F)(F)CC2	REAL300019923970	0	40	-1.0	-35.05	345.12	7.59	-27.46
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC12CCC(F)(F)CC2	REAL300019923970	1	40	-1.0	-35.04	345.17	7.60	-27.44
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N=C1Br	REAL300019923971	0	32	-1.0	-42.15	314.17	5.33	-36.82
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N=C1Br	REAL300019923971	1	32	-1.0	-42.20	314.13	5.33	-36.87
CN(C)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019923972	0	40	-1.0	-33.89	358.92	7.29	-26.60
CN(C)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019923972	1	40	-1.0	-33.88	358.97	7.29	-26.59
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019923973	0	34	-1.0	-37.14	325.01	5.84	-31.30
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019923973	1	34	-1.0	-37.14	324.96	5.83	-31.31
CC1CCOC1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923974	0	37	-1.0	-36.87	312.30	5.00	-31.87
CC1CCOC1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923974	1	37	-1.0	-36.86	312.34	5.00	-31.86
COC(=O)C1=CSC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923975	0	33	-1.0	-37.52	325.26	5.63	-31.89
COC(=O)C1=CSC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923975	1	33	-1.0	-37.50	325.30	5.63	-31.87
CC(C)(C)C1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923976	0	41	-1.0	-36.83	349.76	6.52	-30.31
CC(C)(C)C1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923976	1	41	-1.0	-36.85	349.71	6.52	-30.33
COC1CC(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300019923977	0	43	-1.0	-36.44	358.15	5.86	-30.58
COC1CC(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300019923977	1	43	-1.0	-36.49	358.20	5.86	-30.63
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=NN21	REAL300019923978	0	44	-1.0	-46.65	375.42	7.40	-39.25
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=NN21	REAL300019923978	1	44	-1.0	-46.72	375.38	7.39	-39.33
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2(CC2(F)F)C1	REAL300019923979	0	37	-1.0	-35.42	330.81	7.06	-28.36
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2(CC2(F)F)C1	REAL300019923979	1	37	-1.0	-35.40	330.85	7.06	-28.34
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCC2C1C2(F)F	REAL300019923980	0	37	-1.0	-37.06	320.34	6.89	-30.17
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC2C1C2(F)F	REAL300019923980	1	37	-1.0	-37.02	320.38	6.89	-30.13
C=C1CC2(C1)CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C2	REAL300019923981	0	38	-1.0	-34.31	330.92	7.33	-26.98
C=C1CC2(C1)CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C2	REAL300019923981	1	38	-1.0	-34.28	330.96	7.33	-26.95
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923982	0	41	-1.0	-40.14	353.59	7.51	-32.63
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923982	1	41	-1.0	-40.13	353.63	7.50	-32.63
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300019923983	0	36	-1.0	-38.93	337.54	4.91	-34.02
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300019923983	1	36	-1.0	-38.88	337.59	4.92	-33.96
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923984	0	41	-1.0	-41.73	351.47	5.27	-36.46
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923984	1	41	-1.0	-41.75	351.52	5.28	-36.47
CCC1=CC=C(C(=O)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019923985	0	35	-1.0	-38.98	333.69	6.47	-32.51
CCC1=CC=C(C(=O)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019923985	1	35	-1.0	-39.00	333.74	6.47	-32.53
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NNC(C2CCCC2)=C1	REAL300019923986	0	40	-1.0	-40.15	346.61	5.65	-34.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NNC(C2CCCC2)=C1	REAL300019923986	1	40	-1.0	-40.18	346.65	5.66	-34.52
CC1(C)OC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300019923987	0	42	-1.0	-36.17	368.56	4.56	-31.61
CC1(C)OC2=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300019923987	1	42	-1.0	-36.14	368.61	4.56	-31.58
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCC(=O)N2	REAL300019923988	0	38	-1.0	-36.70	332.26	5.15	-31.55
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL300019923988	1	38	-1.0	-36.89	331.32	5.12	-31.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=CC2=C1CCNC2=O	REAL300019923989	0	37	-1.0	-37.49	327.58	2.66	-34.83
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=CC2=C1CCNC2=O	REAL300019923989	1	37	-1.0	-37.46	327.63	2.66	-34.80
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NC=C1C(F)F	REAL300019923990	0	35	-1.0	-41.35	325.09	5.67	-35.68
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NC=C1C(F)F	REAL300019923990	1	35	-1.0	-41.31	325.13	5.66	-35.65
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)S1	REAL300019923991	0	38	-1.0	-41.33	346.76	4.24	-37.09
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL300019923991	1	38	-1.0	-41.33	346.80	4.26	-37.07
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923992	0	39	-1.0	-41.32	343.25	3.92	-37.40
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923992	1	39	-1.0	-41.36	343.19	3.92	-37.44
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC2C1C2(F)F	REAL300019923993	0	34	-1.0	-33.12	308.08	6.40	-26.72
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2C1C2(F)F	REAL300019923993	1	34	-1.0	-33.10	308.12	6.41	-26.69
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019923994	0	34	-1.0	-46.48	332.91	5.20	-41.28
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019923994	1	34	-1.0	-46.45	332.86	5.19	-41.26
COC1=CC=CC=C1OC(C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923995	0	41	-1.0	-40.01	358.91	6.80	-33.21
COC1=CC=CC=C1OC(C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923995	1	41	-1.0	-39.95	358.95	6.80	-33.15
CC1=C(Cl)C=NN1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923996	0	33	-1.0	-35.26	320.30	5.04	-30.22
CC1=C(Cl)C=NN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923996	1	33	-1.0	-35.23	320.35	5.05	-30.18
CCC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300019923997	0	39	-1.0	-37.08	352.86	7.76	-29.32
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCC(C2CCCO2)O1	REAL300019923998	0	42	-1.0	-37.07	353.72	5.63	-31.44
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC(C2CCCO2)O1	REAL300019923998	1	42	-1.0	-37.03	353.77	5.64	-31.39
CC1=CC(F)=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019923999	0	35	-1.0	-41.32	325.64	7.22	-34.10
CC1=CC(F)=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019923999	1	35	-1.0	-41.34	325.69	7.22	-34.12
CN1N=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300019924000	0	35	-1.0	-47.50	320.05	4.63	-42.87
CN1N=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300019924000	1	35	-1.0	-47.53	320.01	4.62	-42.91
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN=C2OCCCC2=C1	REAL300019924001	0	37	-1.0	-40.07	327.03	3.52	-36.55
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN=C2OCCCC2=C1	REAL300019924001	1	37	-1.0	-40.10	326.98	3.52	-36.58
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019924002	0	35	-1.0	-37.86	332.11	5.24	-32.62
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019924002	1	35	-1.0	-37.86	332.15	5.24	-32.62
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL300019924003	0	39	-1.0	-35.86	355.91	8.38	-27.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300019924003	1	39	-1.0	-35.85	355.96	8.38	-27.47
CC1=CC2=C(C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)S2)S1	REAL300019924004	0	33	-1.0	-37.50	328.33	7.27	-30.23
CC1=CC2=C(C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)S2)S1	REAL300019924004	1	33	-1.0	-37.48	328.38	7.28	-30.20
O=C(CC12CCC(CC1)C2)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924005	0	40	-1.0	-34.40	325.26	7.23	-27.17
O=C(CC12CCC(CC1)C2)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924005	1	40	-1.0	-34.46	325.30	7.23	-27.23
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC=CC2=CC=CC=C21	REAL300019924006	0	38	-1.0	-36.28	333.02	8.21	-28.07
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CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N1	REAL300019924007	0	31	-1.0	-35.96	287.25	4.36	-31.60
CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N1	REAL300019924007	1	31	-1.0	-35.91	287.30	4.37	-31.54
CCCOCCCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924008	0	39	-1.0	-35.63	341.36	5.30	-30.33
CCCOCCCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924008	1	39	-1.0	-35.59	341.40	5.31	-30.28
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O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN2C=NN=C2C=N1	REAL300019924009	1	31	-1.0	-40.43	295.33	5.54	-34.89
CN1N=CC(C#N)=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924010	0	31	-1.0	-34.23	293.19	4.20	-30.03
CN1N=CC(C#N)=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924010	1	31	-1.0	-34.17	293.13	4.19	-29.98
CON(CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300019924011	0	47	-1.0	-39.29	401.79	6.07	-33.22
CON(CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300019924011	1	47	-1.0	-39.26	401.82	6.07	-33.19
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O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL300019924012	1	35	-1.0	-37.05	314.07	6.35	-30.70
COC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C(F)C=N1	REAL300019924013	0	35	-1.0	-39.41	332.79	4.91	-34.50
COC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C(F)C=N1	REAL300019924013	1	35	-1.0	-39.42	333.78	4.94	-34.48
CC1=CC2=C(OCC2)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019924014	0	38	-1.0	-42.23	333.55	7.33	-34.90
CC1=CC2=C(OCC2)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019924014	1	38	-1.0	-42.20	333.60	7.33	-34.87
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O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2SC=CC2=CN=C1	REAL300019924015	1	32	-1.0	-39.51	306.92	5.58	-33.93
CC(C)C(C)C(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924016	0	44	-1.0	-33.88	347.73	7.18	-26.70
CC(C)C(C)C(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924016	1	44	-1.0	-33.92	347.77	7.20	-26.72
COC1CC2(C1)CC(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C2	REAL300019924017	0	41	-1.0	-35.78	350.84	5.78	-30.00
COC1CC2(C1)CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C2	REAL300019924017	1	41	-1.0	-35.81	350.88	5.78	-30.03
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924018	0	46	-1.0	-36.66	394.24	8.16	-28.50
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924018	1	46	-1.0	-36.65	394.28	8.17	-28.48
CO[C@@H]1C[C@@]2(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C[C@@H]12	REAL300019924019	0	35	-1.0	-37.39	314.21	4.62	-32.77
CO[C@@H]1C[C@@]2(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C[C@@H]12	REAL300019924019	1	35	-1.0	-37.36	314.25	4.62	-32.74
CC1(C)CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CO1	REAL300019924020	0	40	-1.0	-34.96	329.05	4.99	-29.97
CC1(C)CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CO1	REAL300019924020	1	40	-1.0	-34.95	329.10	4.99	-29.96
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CN1C=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300019924022	0	36	-1.0	-47.99	325.14	7.46	-40.53
CN1C=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300019924022	1	36	-1.0	-47.95	325.09	7.46	-40.49
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CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CCCO1	REAL300019924024	0	37	-1.0	-36.04	309.01	5.31	-30.73
CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CCCO1	REAL300019924024	1	37	-1.0	-36.08	309.11	5.33	-30.75
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924025	0	30	-1.0	-34.74	312.87	2.34	-32.40
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924025	1	30	-1.0	-34.75	312.82	2.34	-32.41
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CNC2=C1	REAL300019924026	1	33	-1.0	-61.12	307.22	4.13	-56.99
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CN2N=NC=C12	REAL300019924028	0	32	-1.0	-46.71	297.66	4.62	-42.09
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CN2N=NC=C12	REAL300019924028	1	32	-1.0	-46.72	297.62	4.61	-42.11
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924202	0	36	-1.0	-34.67	336.69	6.02	-28.65
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924202	1	36	-1.0	-34.62	336.69	6.02	-28.60
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300019924203	0	36	-1.0	-37.57	315.69	7.11	-30.46
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300019924203	1	36	-1.0	-37.59	315.73	7.12	-30.47
CC(C)CC1=NC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019924204	0	40	-1.0	-39.22	352.03	6.00	-33.22
CC(C)CC1=NC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019924204	1	40	-1.0	-39.17	352.07	6.01	-33.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN2C=CC=NC2=C1Cl	REAL300019924205	0	32	-1.0	-47.07	318.01	5.28	-41.79
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN2C=CC=NC2=C1Cl	REAL300019924205	1	32	-1.0	-47.09	317.97	5.28	-41.81
CCC1=C(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=NO1	REAL300019924206	0	35	-1.0	-41.28	317.52	5.49	-35.79
CCC1=C(C)C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NO1	REAL300019924206	1	35	-1.0	-41.28	317.56	5.50	-35.78
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(C)C	REAL300019924207	0	42	-1.0	-42.45	358.65	6.96	-35.49
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(C)C	REAL300019924207	1	42	-1.0	-42.48	359.70	7.06	-35.42
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCCCNC1=O	REAL300019924208	0	37	-1.0	-39.35	303.26	3.23	-36.12
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCCNC1=O	REAL300019924208	1	37	-1.0	-39.34	303.31	3.23	-36.11
COCCN1C=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1=O	REAL300019924209	0	40	-1.0	-53.21	354.28	5.09	-48.12
COCCN1C=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1=O	REAL300019924209	1	40	-1.0	-53.16	354.34	5.09	-48.07
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2NC(=O)CCC2=CC=C1	REAL300019924210	0	38	-1.0	-42.25	333.13	5.59	-36.66
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2NC(=O)CCC2=CC=C1	REAL300019924210	1	38	-1.0	-42.25	333.18	5.60	-36.65
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924211	0	36	-1.0	-35.03	330.95	7.19	-27.84
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924211	1	36	-1.0	-35.04	330.99	7.19	-27.85
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CN(C2CCC2)C1=O	REAL300019924212	0	40	-1.0	-56.05	345.56	6.97	-49.08
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL300019924212	1	40	-1.0	-56.01	345.41	7.00	-49.01
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300019924213	0	35	-1.0	-44.72	341.97	6.43	-38.29
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300019924213	1	35	-1.0	-44.77	341.92	6.43	-38.34
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019924214	1	33	-1.0	-38.07	322.61	6.80	-31.27
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019924215	0	33	-1.0	-40.52	323.05	6.81	-33.71
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019924215	1	33	-1.0	-40.49	323.10	6.81	-33.68
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924216	0	39	-1.0	-37.48	343.77	7.71	-29.77
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924216	1	39	-1.0	-37.52	343.81	7.72	-29.80
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924217	0	41	-1.0	-40.46	366.49	6.93	-33.53
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924217	1	41	-1.0	-40.45	366.45	6.92	-33.53
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924218	0	41	-1.0	-38.04	354.09	5.53	-32.51
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924218	1	41	-1.0	-37.74	353.09	5.52	-32.22
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL300019924219	0	32	-1.0	-40.62	328.01	5.94	-34.68
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Cl)N=C2S1	REAL300019924219	1	32	-1.0	-40.63	327.97	5.92	-34.71
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924220	0	36	-1.0	-46.57	329.23	4.86	-41.71
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924220	1	36	-1.0	-46.59	329.27	4.87	-41.72
COC1=C2NC=C(CC(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C2=CC=C1	REAL300019924221	0	41	-1.0	-41.03	364.28	6.01	-35.02
COC1=C2NC=C(CC(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C2=CC=C1	REAL300019924221	1	41	-1.0	-41.07	364.32	6.02	-35.05
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300019924222	0	34	-1.0	-32.41	333.91	6.47	-25.94
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300019924222	1	34	-1.0	-32.43	333.95	6.48	-25.95
COC(=O)C1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300019924223	0	42	-1.0	-38.00	374.37	7.80	-30.20
COC(=O)C1=CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300019924223	1	42	-1.0	-38.04	374.41	7.81	-30.23
O=C(CN1C=NC=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924224	0	29	-1.0	-38.91	277.85	5.56	-33.35
O=C(CN1C=NC=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924224	1	29	-1.0	-38.91	277.81	5.54	-33.37
COCC(C)(O)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924225	0	37	-1.0	-35.05	319.59	2.51	-32.54
COCC(C)(O)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924225	1	37	-1.0	-35.02	319.64	2.52	-32.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(COCC2)N=C1Cl	REAL300019924226	0	37	-1.0	-34.67	338.88	4.68	-29.99
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL300019924226	1	37	-1.0	-34.61	338.92	4.69	-29.92
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019924227	0	39	-1.0	-57.61	355.27	2.59	-55.02
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019924227	1	39	-1.0	-57.59	355.32	2.60	-54.99
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)NC2=C1CCCC2	REAL300019924228	0	41	-1.0	-36.58	345.56	6.84	-29.74
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)NC2=C1CCCC2	REAL300019924228	1	41	-1.0	-36.53	345.60	6.84	-29.69
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O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(CC2CCC2)=CN1	REAL300019924229	1	41	-1.0	-35.68	356.92	7.33	-28.35
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NC1=NC(C2=COC=C2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924269	0	37	-1.0	-37.79	341.26	4.19	-33.60
NC1=NC(C2=COC=C2)=NC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924269	1	37	-1.0	-37.75	341.21	4.19	-33.56
CC1=C(C(N)=O)C=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924270	0	37	-1.0	-41.88	322.82	3.45	-38.43
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COC1=C2C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CSC2=CC=C1	REAL300019924276	0	37	-1.0	-40.53	338.27	7.92	-32.61
COC1=C2C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CSC2=CC=C1	REAL300019924276	1	37	-1.0	-40.48	338.31	7.92	-32.56
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CC1(C)[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)[C@@H]1C(F)F	REAL300019924279	0	36	-1.0	-37.84	309.66	6.22	-31.62
CC1(C)[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)[C@@H]1C(F)F	REAL300019924279	1	36	-1.0	-37.86	309.70	6.23	-31.63
CN1N=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300019924280	0	35	-1.0	-47.50	320.05	4.63	-42.87
CN1N=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300019924280	1	35	-1.0	-47.53	320.01	4.62	-42.91
COC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(C)=N1	REAL300019924281	0	35	-1.0	-34.11	315.53	1.33	-32.78
COC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(C)=N1	REAL300019924281	1	35	-1.0	-34.12	315.57	1.32	-32.80
COC(=O)CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019924282	0	39	-1.0	-37.19	346.14	6.36	-30.83
COC(=O)CC1(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019924282	1	39	-1.0	-37.17	346.21	6.36	-30.81
CC(CC1=CC=NC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924283	0	38	-1.0	-35.62	333.83	6.17	-29.45
CC(CC1=CC=NC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924283	1	38	-1.0	-35.65	333.88	6.18	-29.47
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1C2C3CC1CC32	REAL300019924284	0	35	-1.0	-35.34	300.39	6.62	-28.72
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C2C3CC1CC32	REAL300019924284	1	35	-1.0	-35.28	300.45	6.63	-28.65
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC(N2C=CN=C2)C1	REAL300019924285	0	37	-1.0	-39.42	327.35	6.97	-32.45
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC(N2C=CN=C2)C1	REAL300019924285	1	37	-1.0	-39.40	327.40	6.98	-32.42
CC(C)CCCOCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924286	0	42	-1.0	-35.82	359.48	6.80	-29.02
CC(C)CCCOCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924286	1	42	-1.0	-35.87	359.52	6.80	-29.07
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(=O)C1=CNC2=CC=C(F)C=C12	REAL300019924287	0	36	-1.0	-46.13	337.66	5.95	-40.18
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(=O)C1=CNC2=CC=C(F)C=C12	REAL300019924287	1	36	-1.0	-46.13	337.70	5.95	-40.18
CC1=CC=CC(C(O)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019924288	0	37	-1.0	-35.84	331.35	5.26	-30.58
CC1=CC=CC(C(O)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019924288	1	37	-1.0	-35.81	331.39	5.25	-30.56
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2=O)N1	REAL300019924289	0	37	-1.0	-40.49	330.58	5.32	-35.17
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2=O)N1	REAL300019924289	1	37	-1.0	-40.40	330.62	5.32	-35.08
O=C(C=CC1CCC1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924290	0	34	-1.0	-35.45	304.80	6.41	-29.04
O=C(C=CC1CCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924290	1	34	-1.0	-35.47	304.85	6.41	-29.06
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CN1C	REAL300019924291	0	34	-1.0	-39.91	307.20	6.06	-33.85
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CN1C	REAL300019924291	1	34	-1.0	-39.87	306.21	6.05	-33.82
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=COC(CN2C=CC=N2)=C1	REAL300019924292	0	37	-1.0	-40.96	344.92	5.79	-35.17
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=COC(CN2C=CC=N2)=C1	REAL300019924292	1	37	-1.0	-42.01	345.89	5.82	-36.19
N#CC1=CNC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=C12	REAL300019924293	0	35	-1.0	-44.63	330.77	6.50	-38.13
N#CC1=CNC2=CC=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=C12	REAL300019924293	1	35	-1.0	-44.76	329.80	6.47	-38.29
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CNC(C2=CC=CC=C2)=C1	REAL300019924294	0	38	-1.0	-38.46	343.01	7.41	-31.05
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CNC(C2=CC=CC=C2)=C1	REAL300019924294	1	38	-1.0	-38.46	343.06	7.41	-31.05
CCC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300019924295	0	36	-1.0	-37.99	324.66	7.50	-30.49
CCC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300019924295	1	36	-1.0	-37.99	324.70	7.50	-30.49
CC(C)(C)C1CCC(C(O)C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019924296	0	52	-1.0	-33.66	385.84	6.90	-26.76
CC(C)(C)C1CCC(C(O)C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019924296	1	52	-1.0	-33.59	385.83	6.90	-26.69
O=C(CC1=CN=NS1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924297	0	28	-1.0	-36.01	280.58	3.31	-32.70
O=C(CC1=CN=NS1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924297	1	28	-1.0	-35.98	280.63	3.31	-32.67
CCOC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=CS1	REAL300019924298	0	34	-1.0	-40.83	320.26	6.20	-34.63
CCOC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=CS1	REAL300019924298	1	34	-1.0	-40.79	320.30	6.20	-34.59
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1F	REAL300019924299	0	39	-1.0	-44.23	356.78	6.35	-37.88
NC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1F	REAL300019924299	1	39	-1.0	-44.27	356.73	6.34	-37.93
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2NC=CC2=CC(F)=C1	REAL300019924300	0	34	-1.0	-38.73	313.75	6.26	-32.47
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2NC=CC2=CC(F)=C1	REAL300019924300	1	34	-1.0	-38.72	313.78	6.26	-32.46
CCC1=NNC(CC)=C1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924301	0	42	-1.0	-36.56	362.51	5.58	-30.98
CCC1=NNC(CC)=C1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924301	1	42	-1.0	-36.53	362.46	5.58	-30.95
CN(C)C1=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C=CC=C2O1	REAL300019924302	0	40	-1.0	-44.76	355.86	4.78	-39.98
CN(C)C1=NC2=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C=CC=C2O1	REAL300019924302	1	40	-1.0	-44.77	355.82	4.76	-40.01
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL300019924303	0	43	-1.0	-35.93	378.71	7.51	-28.42
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H](O)CC1=CC2=CC=CC=C2C=C1	REAL300019924303	1	43	-1.0	-35.91	378.75	7.51	-28.40
CS(C)(=O)=NC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019924304	0	37	-1.0	-59.53	352.58	3.41	-56.12
CS(C)(=O)=NC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019924304	1	37	-1.0	-59.50	352.62	3.40	-56.10
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019924305	0	48	0.0	-46.38	369.67	8.28	-38.10
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019924305	1	48	0.0	-43.96	370.91	8.29	-35.67
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019924305	1	48	0.0	-46.32	369.61	8.28	-38.04
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019924305	1	48	0.0	-44.00	370.87	8.29	-35.71
CC[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019924306	0	42	0.0	-49.55	339.46	6.66	-42.89
CC[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019924306	1	42	0.0	-44.00	334.67	6.90	-37.10
CC[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019924306	1	42	0.0	-49.55	339.42	6.66	-42.89
CC[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019924306	1	42	0.0	-43.98	334.62	6.89	-37.09
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019924307	0	37	-1.0	-35.45	329.73	8.00	-27.45
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019924307	1	37	-1.0	-36.52	330.79	8.02	-28.50
CCC(=CC1=CC=CC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019924308	0	40	-1.0	-36.50	341.70	8.38	-28.12
CCC(=CC1=CC=CC=C1)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019924308	1	40	-1.0	-36.49	341.75	8.39	-28.10
O=C(CN1CCOC1=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926202	0	32	-1.0	-41.23	302.67	3.57	-37.66
O=C(CN1CCOC1=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926202	1	32	-1.0	-41.19	302.71	3.58	-37.61
O=C(CCCN1C=NC=N1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926203	0	35	-1.0	-40.91	326.08	7.00	-33.91
O=C(CCCN1C=NC=N1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926203	1	35	-1.0	-40.88	326.04	6.99	-33.89
O=C(CN1CCNC(=O)C1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926204	0	36	-1.0	-41.49	319.58	0.17	-41.32
O=C(CN1CCNC(=O)C1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926204	1	36	-1.0	-41.45	319.62	0.18	-41.27
CCCC=CC(O)C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926205	0	37	-1.0	-34.23	333.01	4.69	-29.54
CCCC=CC(O)C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926205	1	37	-1.0	-34.13	333.06	4.69	-29.44
CC1=C(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C(Cl)=NN1	REAL300019926206	0	30	-1.0	-40.32	305.21	3.46	-36.86
CC1=C(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C(Cl)=NN1	REAL300019926206	1	30	-1.0	-40.33	305.25	3.46	-36.87
CC1=NC=C(CC(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)O1	REAL300019926207	0	32	-1.0	-38.03	304.82	2.38	-35.65
CC1=NC=C(CC(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)O1	REAL300019926207	1	32	-1.0	-38.01	304.86	2.39	-35.62
O=C(CC1=CON=C1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926208	0	29	-1.0	-35.70	282.43	4.18	-31.52
O=C(CC1=CON=C1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926208	1	29	-1.0	-35.71	282.39	4.17	-31.54
CC1=NC=C(C=CC(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)S1	REAL300019926209	0	33	-1.0	-37.11	324.56	5.28	-31.83
CC1=NC=C(C=CC(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)S1	REAL300019926209	1	33	-1.0	-37.12	324.60	5.29	-31.83
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=NC2=CC=NN21	REAL300019926210	0	32	-1.0	-43.36	301.71	5.34	-38.02
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=NC2=CC=NN21	REAL300019926210	1	32	-1.0	-43.43	301.67	5.33	-38.10
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019926211	0	39	0.0	-52.83	327.40	6.18	-46.65
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC1	REAL300019926211	1	39	0.0	-52.81	327.35	6.17	-46.64
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=NC=CN=C1Cl	REAL300019926212	0	28	-1.0	-39.83	286.51	2.96	-36.87
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=NC=CN=C1Cl	REAL300019926212	1	28	-1.0	-39.80	286.47	2.95	-36.85
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=NC2=CC=NN2C=C1	REAL300019926213	0	32	-1.0	-41.37	306.41	5.05	-36.32
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=NC2=CC=NN2C=C1	REAL300019926213	1	32	-1.0	-41.21	307.40	5.09	-36.12
CN1C=C(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)N(C)C1=O	REAL300019926214	0	34	-1.0	-35.78	313.92	4.84	-30.94
CN1C=C(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)N(C)C1=O	REAL300019926214	1	34	-1.0	-35.74	313.96	4.84	-30.90
CC1=NC=C(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)N1C	REAL300019926215	0	33	-1.0	-36.20	298.84	5.28	-30.92
CC1=NC=C(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)N1C	REAL300019926215	1	33	-1.0	-36.18	298.89	5.29	-30.89
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926216	0	31	-1.0	-41.72	291.98	1.67	-40.05
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926216	1	31	-1.0	-39.29	291.00	1.65	-37.64
CC[C@@H](C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019926217	0	38	0.0	-44.48	310.20	5.62	-38.86
CC[C@@H](C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1)N(C)C	REAL300019926217	1	37	-1.0	-32.99	312.14	3.43	-29.56
CC[C@@H](C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)N(C)C	REAL300019926217	1	37	-1.0	-32.98	312.18	3.44	-29.54
CC[C@H](C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019926218	0	38	0.0	-43.99	312.44	5.58	-38.41
CC[C@H](C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1)N(C)C	REAL300019926218	1	37	-1.0	-32.85	312.41	3.57	-29.28
CC[C@H](C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)N(C)C	REAL300019926218	1	37	-1.0	-32.88	312.45	3.58	-29.30
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926219	0	44	0.0	-47.38	354.65	4.68	-42.70
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926219	1	44	0.0	-46.58	353.80	4.27	-42.31
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019926219	1	44	0.0	-47.38	354.61	4.68	-42.70
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CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931225	1	56	0.0	-13.92	400.08	5.08	-8.84
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CC(C)(C)OC(=O)N1CCCC(C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019931226	1	55	-1.0	-48.96	389.29	5.18	-43.78
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931226	1	56	0.0	-12.30	393.40	5.14	-7.16
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CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931235	0	57	-1.0	-44.87	410.47	3.71	-41.16
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CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931236	1	44	-1.0	-46.72	367.80	4.38	-42.34
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CCCC1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCO1	REAL300019931237	0	45	-1.0	-40.62	335.49	4.43	-36.19
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N#CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019931308	1	34	0.0	-14.57	303.33	4.82	-9.75
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CN1N=NN=C1SCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931310	0	34	-1.0	-44.09	301.24	1.76	-42.33
CN1N=NN=C1SCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931310	1	34	-1.0	-44.08	301.41	1.75	-42.33
CN1N=NN=C1SCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931310	1	35	0.0	-14.06	305.47	1.69	-12.37
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CN1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C1=CC=CC=C1	REAL300019931312	0	42	-1.0	-45.04	339.07	5.02	-40.02
CN1N=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C1=CC=CC=C1	REAL300019931312	1	42	-1.0	-45.01	339.24	5.01	-40.00
CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1=CC=CC=C1	REAL300019931312	1	43	0.0	-12.81	346.67	5.05	-7.76
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CC(C)(C)SC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=N1	REAL300019931314	0	44	-1.0	-42.38	354.56	6.45	-35.93
CC(C)(C)SC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=N1	REAL300019931314	1	44	-1.0	-42.35	354.72	6.44	-35.91
CC(C)(C)SC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019931314	1	45	0.0	-12.30	358.83	6.40	-5.90
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CCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1CC	REAL300019931316	0	44	-1.0	-41.89	339.84	6.63	-35.26
CCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1CC	REAL300019931316	1	44	-1.0	-41.90	340.01	6.62	-35.28
CCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1CC	REAL300019931316	1	45	0.0	-10.62	343.06	6.54	-4.08
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931317	0	47	-1.0	-49.32	372.46	5.21	-44.11
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931317	1	47	-1.0	-49.30	372.63	5.21	-44.09
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931317	1	48	0.0	-15.96	376.74	5.17	-10.79
CC1=CC=CC(C)=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931318	0	41	-1.0	-42.32	322.06	6.13	-36.19
CC1=CC=CC(C)=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931318	1	41	-1.0	-42.27	322.23	6.13	-36.14
CC1=CC=CC(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931318	1	42	0.0	-11.92	326.34	6.09	-5.83
N#CCC1=CC=CC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931319	0	39	-1.0	-43.61	324.53	6.00	-37.61
N#CCC1=CC=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931319	1	39	-1.0	-43.58	324.70	5.99	-37.59
N#CCC1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931319	1	40	0.0	-13.42	328.76	5.93	-7.49
CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCN1C(=O)OC(C)(C)C	REAL300019931320	0	55	-1.0	-46.89	398.56	6.56	-40.33
CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCN1C(=O)OC(C)(C)C	REAL300019931320	1	55	-1.0	-46.76	398.73	6.55	-40.21
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCN1C(=O)OC(C)(C)C	REAL300019931320	1	56	0.0	-18.47	401.88	6.70	-11.77
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CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC2=NC(C)=NC(N)=C12	REAL300019931323	0	41	-1.0	-42.24	339.09	3.05	-39.19
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC2=NC(C)=NC(N)=C12	REAL300019931323	1	41	-1.0	-42.23	339.26	3.04	-39.19
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC2=NC(C)=NC(N)=C12	REAL300019931323	1	42	0.0	-12.10	343.37	3.00	-9.10
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CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931325	0	44	-1.0	-46.14	364.12	1.40	-44.74
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931325	1	44	-1.0	-46.11	364.29	1.39	-44.72
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931325	1	45	0.0	-16.37	367.58	1.39	-14.98
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CSC1=CC=CC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931328	0	39	-1.0	-44.12	325.48	6.02	-38.10
CSC1=CC=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931328	1	39	-1.0	-44.07	325.65	6.03	-38.04
CSC1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931328	1	40	0.0	-12.33	329.71	5.97	-6.36
COCCOC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=N1	REAL300019931329	0	42	-1.0	-45.31	346.24	1.04	-44.27
COCCOC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=N1	REAL300019931329	1	42	-1.0	-45.29	346.41	1.04	-44.25
COCCOC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019931329	1	43	0.0	-14.90	350.51	0.99	-13.91
CC(=O)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300019931330	0	37	-1.0	-50.42	312.27	4.62	-45.80
CC(=O)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300019931330	1	37	-1.0	-50.40	312.44	4.61	-45.79
CC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019931330	1	38	0.0	-14.57	314.30	4.50	-10.07
O=C(C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931331	0	47	-1.0	-45.58	362.80	5.27	-40.31
O=C(C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931331	1	47	-1.0	-45.59	362.97	5.27	-40.32
O=C(C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019931331	1	48	0.0	-15.67	367.07	5.23	-10.44
COC1=NC(C)=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931332	0	38	-1.0	-46.25	311.87	1.75	-44.50
COC1=NC(C)=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931332	1	38	-1.0	-46.21	312.04	1.74	-44.47
COC1=NC(C)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931332	1	39	0.0	-15.45	315.96	1.74	-13.71
COCC1=NN=C(C2=CC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2)O1	REAL300019931333	0	44	-1.0	-51.77	368.18	-0.27	-52.04
COCC1=NN=C(C2=CC=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2)O1	REAL300019931333	1	44	-1.0	-51.71	368.35	-0.28	-51.99
COCC1=NN=C(C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)O1	REAL300019931333	1	45	0.0	-21.24	372.45	-0.32	-21.56
CC1=CSC2=NC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C(=O)N12	REAL300019931334	0	37	-1.0	-54.22	320.07	3.86	-50.36
CC1=CSC2=NC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C(=O)N12	REAL300019931334	1	37	-1.0	-54.21	320.24	3.85	-50.36
CC1=CSC2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C(=O)N12	REAL300019931334	1	38	0.0	-20.29	324.35	3.80	-16.49
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931335	0	39	-1.0	-44.53	355.84	7.08	-37.45
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931335	1	39	-1.0	-44.52	356.00	7.08	-37.44
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931335	1	40	0.0	-11.55	361.03	7.05	-4.50
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)CC1=CC=C(Cl)C=C1	REAL300019931336	0	44	-1.0	-42.60	360.30	7.62	-34.98
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)CC1=CC=C(Cl)C=C1	REAL300019931336	1	44	-1.0	-42.58	360.47	7.62	-34.96
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)CC1=CC=C(Cl)C=C1	REAL300019931336	1	45	0.0	-13.12	364.62	7.59	-5.53
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931337	0	42	-1.0	-44.31	353.96	0.57	-43.74
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931337	1	42	-1.0	-44.28	354.13	0.57	-43.71
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019931337	1	43	0.0	-15.17	358.36	0.56	-14.61
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931338	0	37	-1.0	-51.41	312.54	-0.06	-51.47
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931338	1	37	-1.0	-51.40	312.70	-0.07	-51.47
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931338	1	38	0.0	-20.96	316.81	-0.11	-21.07
CN1C=NC2=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CN=C21	REAL300019931339	0	37	-1.0	-47.45	304.89	4.43	-43.02
CN1C=NC2=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CN=C21	REAL300019931339	1	37	-1.0	-47.46	305.06	4.43	-43.03
CN1C=NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN=C21	REAL300019931339	1	38	0.0	-14.82	310.40	4.54	-10.28
CC(O)C(NC(=O)C1CC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931340	0	43	-1.0	-39.64	332.58	0.03	-39.61
CC(O)C(NC(=O)C1CC1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931340	1	43	-1.0	-39.63	332.74	0.03	-39.60
CC(O)C(NC(=O)C1CC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931340	1	44	0.0	-10.21	339.46	-0.14	-10.35
CC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C2=CC=CC=C2)S1	REAL300019931341	0	41	-1.0	-45.23	352.47	5.87	-39.36
CC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C2=CC=CC=C2)S1	REAL300019931341	1	41	-1.0	-45.19	352.64	5.86	-39.33
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C2=CC=CC=C2)S1	REAL300019931341	1	42	0.0	-12.98	356.75	5.81	-7.17
COC1=C(C)C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1C	REAL300019931342	0	42	-1.0	-41.65	336.43	4.98	-36.67
COC1=C(C)C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1C	REAL300019931342	1	42	-1.0	-41.60	336.59	4.97	-36.63
COC1=C(C)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019931342	1	43	0.0	-11.11	341.41	4.94	-6.17
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CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)O2)=C1	REAL300019931344	0	48	-1.0	-41.55	384.01	7.99	-33.56
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)O2)=C1	REAL300019931344	1	48	-1.0	-41.54	384.17	7.99	-33.55
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)O2)=C1	REAL300019931344	1	49	0.0	-9.57	388.67	8.08	-1.49
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CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1N=NN=C1C(C)(C)C	REAL300019931348	0	45	-1.0	-48.83	348.10	3.19	-45.64
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1N=NN=C1C(C)(C)C	REAL300019931348	1	45	-1.0	-48.81	348.27	3.19	-45.62
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1N=NN=C1C(C)(C)C	REAL300019931348	1	46	0.0	-23.03	352.37	3.14	-19.89
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CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931350	0	48	-1.0	-50.68	389.21	3.40	-47.28
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931350	1	48	-1.0	-50.66	389.37	3.39	-47.27
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931350	1	49	0.0	-21.85	396.91	3.14	-18.71
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1C1=CC=C(F)C=C1	REAL300019931351	0	42	-1.0	-43.90	346.70	6.32	-37.58
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1C1=CC=C(F)C=C1	REAL300019931351	1	42	-1.0	-43.82	346.86	6.31	-37.51
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=C(F)C=C1	REAL300019931351	1	43	0.0	-11.36	350.97	6.27	-5.09
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1C1=CC=C(C)C=C1	REAL300019931352	0	45	-1.0	-44.58	364.27	6.99	-37.59
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1C1=CC=C(C)C=C1	REAL300019931352	1	45	-1.0	-44.51	364.44	6.99	-37.52
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=C(C)C=C1	REAL300019931352	1	46	0.0	-11.41	365.96	6.87	-4.54
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC(Cl)=C1	REAL300019931353	0	42	-1.0	-43.13	357.29	6.78	-36.35
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC(Cl)=C1	REAL300019931353	1	42	-1.0	-43.06	357.45	6.78	-36.28
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC(Cl)=C1	REAL300019931353	1	43	0.0	-12.25	361.33	6.75	-5.50
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1C1=CC(C)=CC(C)=C1	REAL300019931354	0	48	-1.0	-44.51	385.68	7.64	-36.87
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1C1=CC(C)=CC(C)=C1	REAL300019931354	1	48	-1.0	-44.45	385.84	7.64	-36.81
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC(C)=CC(C)=C1	REAL300019931354	1	49	0.0	-11.28	389.00	7.54	-3.74
NC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931355	0	36	-1.0	-46.77	305.68	3.04	-43.73
NC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931355	1	36	-1.0	-46.71	305.85	3.04	-43.67
NC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931355	1	37	0.0	-16.76	309.95	3.00	-13.76
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931356	0	49	-1.0	-44.18	393.68	8.09	-36.09
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931356	1	49	-1.0	-44.12	393.84	8.08	-36.04
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931356	1	50	0.0	-12.87	397.95	8.04	-4.83
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CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1C(C)C1CC1	REAL300019931358	0	45	-1.0	-44.78	358.83	6.05	-38.73
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1C(C)C1CC1	REAL300019931358	1	45	-1.0	-44.76	359.00	6.04	-38.72
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C(C)C1CC1	REAL300019931358	1	46	0.0	-11.28	363.10	6.00	-5.28
CC1=CC=C(SC2CCCC2)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931359	0	49	-1.0	-44.96	380.97	8.31	-36.65
CC1=CC=C(SC2CCCC2)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931359	1	49	-1.0	-44.95	381.14	8.30	-36.65
CC1=CC=C(SC2CCCC2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931359	1	50	0.0	-12.71	385.24	8.26	-4.45
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931360	0	52	-1.0	-45.57	410.10	5.37	-40.20
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931360	1	52	-1.0	-45.54	410.26	5.36	-40.18
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931360	1	53	0.0	-16.06	414.37	5.32	-10.74
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CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931362	0	47	-1.0	-42.64	372.54	6.79	-35.85
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931362	1	47	-1.0	-42.65	372.71	6.78	-35.87
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931362	1	48	0.0	-13.17	375.42	6.68	-6.49
CCOC1=CC(Cl)=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931363	0	39	-1.0	-43.49	331.11	5.18	-38.31
CCOC1=CC(Cl)=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931363	1	39	-1.0	-43.45	331.28	5.18	-38.27
CCOC1=CC(Cl)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931363	1	40	0.0	-12.75	335.11	5.48	-7.27
CC1=CN2C(=NC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C2=O)S1	REAL300019931364	0	37	-1.0	-53.57	325.21	4.05	-49.52
CC1=CN2C(=NC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C2=O)S1	REAL300019931364	1	37	-1.0	-53.57	325.38	4.05	-49.52
CC1=CN2C(=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=O)S1	REAL300019931364	1	38	0.0	-19.79	329.49	4.00	-15.79
CCC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(=O)N1	REAL300019931365	0	38	-1.0	-47.97	312.59	2.36	-45.61
CCC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(=O)N1	REAL300019931365	1	38	-1.0	-47.97	312.76	2.35	-45.62
CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(=O)N1	REAL300019931365	1	39	0.0	-14.61	320.01	2.44	-12.17
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CN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C2=CC=CC=C2)=N1	REAL300019931369	1	42	-1.0	-44.87	346.17	5.35	-39.52
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2)=N1	REAL300019931369	1	43	0.0	-16.49	350.28	5.31	-11.18
COC1=C2C(CC(=O)N3CCN(C4=NN=N[N-]4)CC3)=CNC2=CC=C1	REAL300019931370	0	43	-1.0	-48.09	348.07	4.52	-43.57
COC1=C2C(CC(=O)N3CCN(C4=N[N-]N=N4)CC3)=CNC2=CC=C1	REAL300019931370	1	43	-1.0	-48.06	348.23	4.51	-43.55
COC1=C2C(CC(=O)N3CCN(C4=NNN=N4)CC3)=CNC2=CC=C1	REAL300019931370	1	44	0.0	-16.34	352.31	4.46	-11.88
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CCCCCCCCC(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931371	1	56	0.0	-10.06	417.72	8.78	-1.28
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CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC(C2CCCCC2)=N1	REAL300019931373	0	47	-1.0	-39.91	372.82	5.79	-34.12
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC(C2CCCCC2)=N1	REAL300019931373	1	47	-1.0	-39.86	372.99	5.79	-34.07
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2CCCCC2)=N1	REAL300019931373	1	48	0.0	-10.01	377.12	5.79	-4.22
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N#CCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019931375	0	39	-1.0	-44.49	322.92	5.84	-38.65
N#CCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300019931375	1	39	-1.0	-44.44	323.09	5.84	-38.60
N#CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931375	1	40	0.0	-14.63	327.20	5.80	-8.83
CC1=CC(Br)=CC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931376	0	38	-1.0	-41.95	326.08	6.23	-35.72
CC1=CC(Br)=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931376	1	38	-1.0	-41.91	326.25	6.22	-35.69
CC1=CC(Br)=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931376	1	39	0.0	-12.76	330.36	6.17	-6.59
COC1=CC=C(N2N=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2C)C=C1	REAL300019931377	0	46	-1.0	-45.55	369.77	5.55	-40.00
COC1=CC=C(N2N=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C2C)C=C1	REAL300019931377	1	46	-1.0	-45.51	369.93	5.54	-39.97
COC1=CC=C(N2N=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C)C=C1	REAL300019931377	1	47	0.0	-12.35	374.04	5.50	-6.85
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300019931378	0	42	-1.0	-43.64	355.31	7.41	-36.23
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300019931378	1	42	-1.0	-43.58	355.51	7.42	-36.16
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COC1=CC=C(C2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)CCCC2)C=C1OC	REAL300019931379	0	53	-1.0	-46.51	392.74	5.93	-40.58
COC1=CC=C(C2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)CCCC2)C=C1OC	REAL300019931379	1	53	-1.0	-46.47	392.90	5.92	-40.55
COC1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCCC2)C=C1OC	REAL300019931379	1	54	0.0	-14.82	397.01	5.88	-8.94
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C2=C1	REAL300019931380	0	41	-1.0	-40.09	344.73	3.98	-36.11
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C2=C1	REAL300019931380	1	41	-1.0	-40.09	344.89	3.97	-36.12
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019931380	1	42	0.0	-12.05	349.00	3.93	-8.12
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COCCC1=NN=C(C2=CC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2)O1	REAL300019931382	0	47	-1.0	-49.62	389.68	0.51	-49.11
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2)O1	REAL300019931382	1	47	-1.0	-49.51	389.85	0.50	-49.01
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)O1	REAL300019931382	1	48	0.0	-19.58	393.95	0.45	-19.13
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CCC(C)OC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=N1	REAL300019931384	0	44	-1.0	-43.01	353.52	3.50	-39.51
CCC(C)OC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=N1	REAL300019931384	1	44	-1.0	-43.01	353.69	3.50	-39.51
CCC(C)OC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019931384	1	45	0.0	-12.96	357.79	3.45	-9.51
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CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=NO2)=C1	REAL300019931385	1	47	-1.0	-49.90	393.94	5.88	-44.02
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=NO2)=C1	REAL300019931385	1	48	0.0	-18.34	396.54	5.75	-12.59
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931386	0	44	-1.0	-43.04	363.67	7.08	-35.96
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931386	1	44	-1.0	-42.98	363.83	7.07	-35.91
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931386	1	45	0.0	-12.03	371.96	7.08	-4.95
CC1=CC(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(C)=C1	REAL300019931387	0	42	-1.0	-41.98	339.65	6.92	-35.06
CC1=CC(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(C)=C1	REAL300019931387	1	42	-1.0	-41.93	339.82	6.92	-35.01
CC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=C1	REAL300019931387	1	43	0.0	-11.45	343.89	6.87	-4.58
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931388	0	49	-1.0	-44.04	383.95	8.51	-35.53
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931388	1	49	-1.0	-44.00	384.11	8.54	-35.46
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931388	1	50	0.0	-11.89	388.21	8.46	-3.43
CC(C)CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(=O)N1	REAL300019931389	0	44	-1.0	-43.39	353.55	4.20	-39.19
CC(C)CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(=O)N1	REAL300019931389	1	44	-1.0	-43.33	353.72	4.19	-39.14
CC(C)CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(=O)N1	REAL300019931389	1	45	0.0	-14.18	357.82	4.14	-10.04
COC(=O)C1=NOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931390	0	34	-1.0	-39.43	296.01	2.20	-37.23
COC(=O)C1=NOC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931390	1	34	-1.0	-39.38	296.18	2.19	-37.19
COC(=O)C1=NOC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931390	1	35	0.0	-10.41	300.28	2.14	-8.27
CC1=CC=CC(C2=NOC(SCC(=O)N3CCN(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300019931391	0	44	-1.0	-44.79	382.11	4.93	-39.86
CC1=CC=CC(C2=NOC(SCC(=O)N3CCN(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300019931391	1	44	-1.0	-44.73	382.28	4.93	-39.80
CC1=CC=CC(C2=NOC(SCC(=O)N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019931391	1	45	0.0	-15.28	386.38	4.89	-10.39
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CC(=CC1=CC=CC=C1Cl)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931393	0	39	-1.0	-43.60	322.59	6.26	-37.34
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931393	1	39	-1.0	-43.57	322.75	6.26	-37.31
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931393	1	40	0.0	-9.77	335.40	6.44	-3.33
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL300019931394	0	45	-1.0	-37.94	334.53	6.96	-30.98
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CC1=NC(COC2=CC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2)=NO1	REAL300019931395	0	44	-1.0	-50.56	364.45	2.82	-47.74
CC1=NC(COC2=CC=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2)=NO1	REAL300019931395	1	44	-1.0	-50.54	364.61	2.82	-47.72
CC1=NC(COC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)=NO1	REAL300019931395	1	45	0.0	-19.29	369.97	2.82	-16.47
COC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300019931396	0	36	-1.0	-41.13	309.16	3.96	-37.17
COC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300019931396	1	36	-1.0	-41.08	309.32	3.96	-37.12
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019931396	1	37	0.0	-11.56	313.43	3.91	-7.65
CCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1S(C)(=O)=O	REAL300019931397	0	44	-1.0	-51.10	351.20	3.00	-48.10
CCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1S(C)(=O)=O	REAL300019931397	1	44	-1.0	-51.10	351.36	2.99	-48.11
CCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1S(C)(=O)=O	REAL300019931397	1	45	0.0	-20.71	357.82	3.07	-17.64
CCC1=NN(C)C(Cl)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931398	0	38	-1.0	-41.02	329.77	3.73	-37.29
CCC1=NN(C)C(Cl)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931398	1	38	-1.0	-40.99	329.94	3.73	-37.26
CCC1=NN(C)C(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931398	1	39	0.0	-10.61	334.06	3.69	-6.92
CN1C(=O)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1C1=CC=C(F)C=C1	REAL300019931399	0	46	-1.0	-47.53	367.75	5.77	-41.76
CN1C(=O)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1C1=CC=C(F)C=C1	REAL300019931399	1	46	-1.0	-47.50	367.92	5.78	-41.72
CN1C(=O)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1C1=CC=C(F)C=C1	REAL300019931399	1	47	0.0	-15.72	366.81	5.69	-10.03
COC1=C(Br)SC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931400	0	33	-1.0	-39.20	304.11	3.07	-36.13
COC1=C(Br)SC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931400	1	33	-1.0	-39.12	304.28	3.07	-36.05
COC1=C(Br)SC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931400	1	34	0.0	-10.23	308.38	3.02	-7.21
N#CC1=CC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019931401	0	39	-1.0	-44.15	329.98	6.69	-37.46
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O=C(C1COC2=CC=C(Br)C=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931402	0	37	-1.0	-43.39	317.59	4.49	-38.90
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CN(C)S(=O)(=O)C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL300019931403	0	40	-1.0	-44.37	341.42	0.13	-44.24
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL300019931403	1	40	-1.0	-44.28	341.59	0.14	-44.14
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CO1	REAL300019931403	1	41	0.0	-15.18	345.65	0.10	-15.08
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N#CC1=CC=C(C2CC2C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931405	1	40	-1.0	-43.61	336.38	6.82	-36.79
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O=C(C1=CN=CC(I)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931406	1	31	-1.0	-39.43	285.49	3.27	-36.16
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CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCN(C3=NN=N[N-]3)CC1)C2=O	REAL300019931407	0	53	-1.0	-48.71	405.16	3.97	-44.74
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCN(C3=N[N-]N=N3)CC1)C2=O	REAL300019931407	1	53	-1.0	-48.70	405.33	3.96	-44.74
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCN(C3=NNN=N3)CC1)C2=O	REAL300019931407	1	54	0.0	-16.88	409.43	3.92	-12.96
COC1=CC=C(COCCCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931408	0	49	-1.0	-46.16	394.40	5.27	-40.89
COC1=CC=C(COCCCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931408	1	49	-1.0	-46.11	394.57	5.28	-40.83
COC1=CC=C(COCCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931408	1	50	0.0	-16.57	398.72	5.24	-11.33
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931409	0	37	-1.0	-47.57	325.66	5.24	-42.33
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931409	1	37	-1.0	-47.58	325.82	5.24	-42.34
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019931409	1	38	0.0	-15.11	331.14	5.23	-9.88
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019931410	0	50	-1.0	-46.32	399.37	8.67	-37.65
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019931410	1	50	-1.0	-46.29	399.54	8.66	-37.63
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N#CC1=CC(Cl)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300019931445	0	33	-1.0	-41.11	319.87	5.50	-35.61
N#CC1=CC(Cl)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300019931445	1	33	-1.0	-41.03	320.04	5.49	-35.54
N#CC1=CC(Cl)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019931445	1	34	0.0	-11.41	324.14	5.44	-5.97
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCC(CC1Br)C2	REAL300019931446	0	39	-1.0	-40.53	307.52	5.13	-35.40
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCC(CC1Br)C2	REAL300019931446	1	39	-1.0	-40.47	307.69	5.12	-35.35
O=C(N1CCN(C2=NNN=N2)CC1)C12CCC(CC1Br)C2	REAL300019931446	1	40	0.0	-10.86	307.91	4.98	-5.88
COC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019931447	0	39	-1.0	-42.33	313.82	4.91	-37.42
COC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300019931447	1	39	-1.0	-42.26	313.99	4.91	-37.35
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931447	1	40	0.0	-14.28	318.94	4.85	-9.43
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300019931448	0	35	-1.0	-39.92	303.11	5.29	-34.63
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300019931448	1	35	-1.0	-39.86	303.27	5.28	-34.58
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019931448	1	36	0.0	-9.97	307.38	5.24	-4.73
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931449	0	42	-1.0	-46.61	354.62	7.77	-38.84
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931449	1	42	-1.0	-46.59	354.78	7.76	-38.83
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931449	1	43	0.0	-14.56	360.09	7.76	-6.80
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931450	0	47	-1.0	-48.54	391.58	4.36	-44.18
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931450	1	47	-1.0	-48.51	391.75	4.35	-44.16
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931450	1	48	0.0	-18.00	395.85	4.30	-13.70
CC(C)CC1=CC=C(C(C)C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931451	0	50	-1.0	-40.38	385.96	8.20	-32.18
CC(C)CC1=CC=C(C(C)C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931451	1	50	-1.0	-40.33	386.13	8.21	-32.12
CC(C)CC1=CC=C(C(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931451	1	51	0.0	-10.22	390.25	8.16	-2.06
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931452	0	32	-1.0	-40.53	292.11	4.73	-35.80
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931452	1	32	-1.0	-40.48	292.28	4.72	-35.76
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931452	1	33	0.0	-10.63	296.52	4.67	-5.96
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931453	0	34	-1.0	-47.09	297.86	2.59	-44.50
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931453	1	34	-1.0	-47.04	298.03	2.59	-44.45
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931453	1	35	0.0	-15.11	302.14	2.54	-12.57
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC(N(C)C)=N1	REAL300019931454	0	39	-1.0	-42.58	324.70	3.58	-39.00
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC(N(C)C)=N1	REAL300019931454	1	39	-1.0	-42.53	324.87	3.58	-38.95
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(N(C)C)=N1	REAL300019931454	1	40	0.0	-11.75	328.53	3.58	-8.17
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931455	0	43	-1.0	-40.83	354.09	4.48	-36.35
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931455	1	43	-1.0	-40.79	354.25	4.48	-36.31
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931455	1	44	0.0	-10.29	358.22	4.44	-5.85
CC1=C(C#N)C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL300019931456	0	35	-1.0	-46.86	306.30	3.74	-43.12
CC1=C(C#N)C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL300019931456	1	35	-1.0	-46.85	306.47	3.74	-43.11
CC1=C(C#N)C(CC(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019931456	1	36	0.0	-15.66	310.57	3.69	-11.97
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1CCC2=CC=CC=C21	REAL300019931457	0	44	-1.0	-40.64	331.75	4.46	-36.18
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1CCC2=CC=CC=C21	REAL300019931457	1	44	-1.0	-40.65	331.91	4.45	-36.20
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1CCC2=CC=CC=C21	REAL300019931457	1	45	0.0	-11.12	335.98	4.40	-6.72
CN1C(=O)OC2=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300019931458	0	38	-1.0	-56.00	317.79	4.05	-51.95
CN1C(=O)OC2=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300019931458	1	38	-1.0	-56.01	317.96	4.05	-51.96
CN1C(=O)OC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019931458	1	39	0.0	-24.44	322.18	4.03	-20.41
O=C(C1CCC2=NNC=C2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931459	0	39	-1.0	-43.84	307.26	3.07	-40.77
O=C(C1CCC2=NNC=C2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931459	1	39	-1.0	-43.75	307.43	3.06	-40.69
O=C(C1=CN=C(C2CCCO2)S1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931460	0	39	-1.0	-42.32	326.48	2.17	-40.15
O=C(C1=CN=C(C2CCCO2)S1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931460	1	39	-1.0	-42.31	326.64	2.16	-40.15
O=C(C1=CN=C(C2CCCO2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019931460	1	40	0.0	-13.42	330.51	2.11	-11.31
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931461	0	37	-1.0	-47.56	310.76	4.71	-42.85
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931461	1	37	-1.0	-47.48	310.93	4.71	-42.77
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019931461	1	38	0.0	-15.23	316.29	4.70	-10.53
O=C(CCC1=CN=CC(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931462	0	37	-1.0	-41.84	310.68	4.22	-37.62
O=C(CCC1=CN=CC(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931462	1	37	-1.0	-41.79	310.84	4.21	-37.58
O=C(CCC1=CN=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931462	1	38	0.0	-12.02	314.95	4.17	-7.85
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2)C=C1	REAL300019931463	0	48	-1.0	-45.02	392.68	7.34	-37.68
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C2)C=C1	REAL300019931463	1	48	-1.0	-45.03	392.84	7.34	-37.69
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)C=C1	REAL300019931463	1	49	0.0	-15.51	398.01	7.37	-8.14
CC1=NC2=CC=NN2C(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931464	0	40	-1.0	-41.34	327.44	4.21	-37.13
CC1=NC2=CC=NN2C(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931464	1	40	-1.0	-41.30	327.61	4.22	-37.08
CC1=NC2=CC=NN2C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931464	1	41	0.0	-12.61	331.92	4.10	-8.51
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931465	0	38	-1.0	-43.15	323.11	3.26	-39.89
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931465	1	38	-1.0	-43.11	323.28	3.26	-39.85
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931465	1	39	0.0	-12.48	326.76	3.25	-9.23
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931466	0	44	-1.0	-41.88	342.70	1.11	-40.77
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931466	1	44	-1.0	-41.84	342.87	1.10	-40.74
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931466	1	45	0.0	-12.17	346.02	1.02	-11.15
CC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1Br	REAL300019931467	0	35	-1.0	-43.78	301.86	5.29	-38.49
CC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1Br	REAL300019931467	1	35	-1.0	-43.77	302.02	5.28	-38.49
CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019931467	1	36	0.0	-11.92	304.86	5.18	-6.74
O=C(C1CCC2CCCCC2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931468	0	48	-1.0	-40.32	351.02	6.88	-33.44
O=C(C1CCC2CCCCC2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931468	1	48	-1.0	-40.27	351.19	6.87	-33.40
O=C(C1CCC2CCCCC2C1)N1CCN(C2=NNN=N2)CC1	REAL300019931468	1	49	0.0	-10.29	355.29	6.83	-3.46
O=C(C1=CC=C(Cl)C(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931469	0	32	-1.0	-41.04	286.23	4.67	-36.37
O=C(C1=CC=C(Cl)C(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931469	1	32	-1.0	-41.02	286.40	4.67	-36.35
O=C(C1=CC=C(Cl)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931469	1	33	0.0	-11.88	290.51	4.62	-7.26
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931470	0	48	-1.0	-39.84	376.11	2.64	-37.20
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931470	1	48	-1.0	-39.77	376.28	2.63	-37.14
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931470	1	49	0.0	-12.44	376.61	2.61	-9.83
O=C(CCCC1=CC(F)=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931471	0	41	-1.0	-43.42	342.73	6.80	-36.62
O=C(CCCC1=CC(F)=CC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931471	1	41	-1.0	-43.40	342.90	6.80	-36.60
O=C(CCCC1=CC(F)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931471	1	42	0.0	-13.04	347.00	6.74	-6.30
COC1=CC=C(CC(C)C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931472	0	45	-1.0	-42.05	353.18	5.46	-36.59
COC1=CC=C(CC(C)C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931472	1	45	-1.0	-42.02	353.35	5.46	-36.56
COC1=CC=C(CC(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931472	1	46	0.0	-11.58	357.45	5.42	-6.16
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931473	0	46	-1.0	-45.53	372.80	6.05	-39.48
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931473	1	46	-1.0	-45.49	372.97	6.04	-39.45
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931473	1	47	0.0	-15.04	377.08	6.00	-9.04
CC(C)(C)SCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931474	0	44	-1.0	-43.14	350.53	6.11	-37.03
CC(C)(C)SCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931474	1	44	-1.0	-43.07	350.69	6.11	-36.96
CC(C)(C)SCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931474	1	45	0.0	-13.35	354.84	6.08	-7.27
CC(C)CC1=CC=C(CCCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931475	0	53	-1.0	-42.72	412.06	9.40	-33.32
CC(C)CC1=CC=C(CCCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931475	1	53	-1.0	-42.65	412.23	9.39	-33.26
CC(C)CC1=CC=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931475	1	54	0.0	-12.63	416.33	9.35	-3.28
CC1=NOC(C)=C1C(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931476	0	43	-1.0	-42.17	334.79	4.96	-37.21
CC1=NOC(C)=C1C(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931476	1	43	-1.0	-42.11	334.96	4.96	-37.15
CC1=NOC(C)=C1C(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931476	1	44	0.0	-12.54	339.07	4.92	-7.62
CC(C)(CCC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019931477	0	47	-1.0	-42.50	356.90	7.27	-35.23
CC(C)(CCC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300019931477	1	47	-1.0	-42.47	357.07	7.27	-35.20
CC(C)(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931477	1	48	0.0	-12.54	361.22	7.24	-5.30
COC1=CC=C(CCCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300019931478	0	49	-1.0	-46.06	388.71	5.37	-40.69
COC1=CC=C(CCCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300019931478	1	49	-1.0	-46.03	388.88	5.37	-40.66
COC1=CC=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=C1	REAL300019931478	1	50	0.0	-15.73	392.98	5.32	-10.41
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931479	0	41	-1.0	-49.67	344.97	2.49	-47.18
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931479	1	41	-1.0	-49.65	345.13	2.48	-47.17
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931479	1	42	0.0	-20.85	349.24	2.44	-18.41
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931480	0	40	-1.0	-50.11	332.65	0.24	-49.87
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931480	1	40	-1.0	-50.10	332.81	0.23	-49.87
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931480	1	41	0.0	-18.38	332.88	0.87	-17.51
CC1=NNC(C)=C1C(C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931481	0	44	-1.0	-42.57	336.70	3.70	-38.87
CC1=NNC(C)=C1C(C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931481	1	44	-1.0	-42.53	336.86	3.69	-38.84
CC1=NNC(C)=C1C(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931481	1	45	0.0	-12.52	340.96	3.65	-8.87
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931482	0	42	-1.0	-42.05	332.03	4.87	-37.18
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931482	1	42	-1.0	-42.07	332.19	4.86	-37.21
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931482	1	43	0.0	-9.34	336.16	4.78	-4.56
O=C(C1CCCN(CC(F)(F)F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931483	0	43	-1.0	-42.04	333.59	2.73	-39.31
O=C(C1CCCN(CC(F)(F)F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931483	1	43	-1.0	-42.01	333.75	2.73	-39.28
O=C(C1CCCN(CC(F)(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019931483	1	44	0.0	-12.47	337.86	2.68	-9.79
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O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931484	1	38	-1.0	-54.33	316.22	4.00	-50.33
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COC1=CC=C2C(=C1)OCC2CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931485	0	44	-1.0	-41.82	350.44	4.17	-37.65
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931485	1	44	-1.0	-41.78	350.61	4.17	-37.61
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931485	1	45	0.0	-12.50	354.72	4.12	-8.38
CCC(C)N1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C1CC1	REAL300019931486	0	48	-1.0	-41.67	368.41	5.86	-35.81
CCC(C)N1N=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C1CC1	REAL300019931486	1	48	-1.0	-41.65	368.58	5.85	-35.80
CCC(C)N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1CC1	REAL300019931486	1	49	0.0	-10.51	374.78	5.86	-4.65
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931487	0	45	-1.0	-42.84	386.24	5.69	-37.15
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931487	1	45	-1.0	-42.80	386.40	5.68	-37.12
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931487	1	46	0.0	-12.29	390.51	5.64	-6.65
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C1CCCC1	REAL300019931488	0	45	-1.0	-42.27	349.93	5.28	-36.99
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C1CCCC1	REAL300019931488	1	45	-1.0	-42.25	350.10	5.28	-36.97
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1CCCC1	REAL300019931488	1	46	0.0	-11.40	354.20	5.24	-6.16
CCC1=CSC(N2C=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=N2)=N1	REAL300019931489	0	41	-1.0	-46.05	352.57	4.80	-41.25
CCC1=CSC(N2C=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=N2)=N1	REAL300019931489	1	41	-1.0	-46.02	352.74	4.80	-41.22
CCC1=CSC(N2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=N2)=N1	REAL300019931489	1	42	0.0	-15.41	356.64	4.74	-10.67
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931490	0	38	-1.0	-55.83	317.12	5.49	-50.34
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931490	1	38	-1.0	-55.79	317.29	5.48	-50.31
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCN(C2=NNN=N2)CC1	REAL300019931490	1	39	0.0	-25.22	321.39	5.43	-19.79
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931491	0	58	-1.0	-43.54	412.95	5.00	-38.54
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931491	1	58	-1.0	-43.50	413.11	5.00	-38.50
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931491	1	59	0.0	-13.92	417.21	4.96	-8.96
O=C(C(C1=CC=CC=C1)C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931492	0	42	-1.0	-40.65	336.33	7.00	-33.65
O=C(C(C1=CC=CC=C1)C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931492	1	42	-1.0	-40.62	336.50	6.99	-33.63
O=C(C(C1=CC=CC=C1)C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019931492	1	43	0.0	-10.92	340.62	6.95	-3.97
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=C(F)C=CC=C1F	REAL300019931493	0	38	-1.0	-43.29	307.88	5.41	-37.88
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=C(F)C=CC=C1F	REAL300019931493	1	38	-1.0	-43.28	308.04	5.41	-37.87
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=C(F)C=CC=C1F	REAL300019931493	1	39	0.0	-12.18	312.15	5.37	-6.81
CC(C)C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300019931494	0	44	-1.0	-40.57	349.11	6.76	-33.81
CC(C)C(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300019931494	1	44	-1.0	-40.50	349.28	6.75	-33.75
CC(C)C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1	REAL300019931494	1	45	0.0	-11.90	350.85	6.62	-5.28
N#CCOC1=CC=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931495	0	40	-1.0	-48.04	338.74	5.14	-42.90
N#CCOC1=CC=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931495	1	40	-1.0	-48.00	338.91	5.13	-42.87
N#CCOC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931495	1	41	0.0	-18.18	343.01	5.08	-13.10
CC1=CC=C(C2=NC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CS2)N1C	REAL300019931496	0	42	-1.0	-45.71	349.31	5.34	-40.37
CC1=CC=C(C2=NC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CS2)N1C	REAL300019931496	1	42	-1.0	-45.65	349.47	5.34	-40.31
CC1=CC=C(C2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CS2)N1C	REAL300019931496	1	43	0.0	-11.46	353.60	5.29	-6.17
CN1C(=O)CCC2=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CC=C21	REAL300019931497	0	43	-1.0	-44.52	339.36	4.99	-39.53
CN1C(=O)CCC2=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CC=C21	REAL300019931497	1	43	-1.0	-44.46	339.53	4.98	-39.48
CN1C(=O)CCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019931497	1	44	0.0	-14.73	343.64	4.93	-9.80
CC1=C(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C	REAL300019931498	0	41	-1.0	-43.58	329.94	4.12	-39.46
CC1=C(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C	REAL300019931498	1	41	-1.0	-43.53	330.11	4.12	-39.41
CC1=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C	REAL300019931498	1	42	0.0	-14.12	334.23	4.07	-10.05
COC1CCC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019931499	0	45	-1.0	-42.79	340.30	4.41	-38.38
COC1CCC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019931499	1	45	-1.0	-42.77	340.46	4.40	-38.37
COC1CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931499	1	46	0.0	-12.56	344.57	4.35	-8.21
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1CCOC1CCCCO1	REAL300019931500	0	53	-1.0	-43.47	413.74	4.58	-38.89
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1CCOC1CCCCO1	REAL300019931500	1	53	-1.0	-43.44	413.91	4.57	-38.87
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CCOC1CCCCO1	REAL300019931500	1	54	0.0	-12.54	419.13	4.58	-7.96
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931501	0	37	-1.0	-41.03	310.53	4.43	-36.60
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931501	1	37	-1.0	-41.03	310.70	4.42	-36.61
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931501	1	38	0.0	-10.73	315.55	4.41	-6.32
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931502	0	38	-1.0	-44.00	324.68	2.05	-41.95
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931502	1	38	-1.0	-43.89	324.85	2.04	-41.85
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931502	1	39	0.0	-12.97	328.96	2.00	-10.97
O=C(CCC1=CC(Br)=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931503	0	38	-1.0	-40.91	336.17	6.58	-34.33
O=C(CCC1=CC(Br)=CC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931503	1	38	-1.0	-40.85	336.34	6.58	-34.27
O=C(CCC1=CC(Br)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931503	1	39	0.0	-10.85	340.39	6.52	-4.33
CCC(CC)N1N=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1C	REAL300019931504	0	47	-1.0	-44.46	365.79	6.01	-38.45
CCC(CC)N1N=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1C	REAL300019931504	1	47	-1.0	-44.39	365.96	6.01	-38.38
CCC(CC)N1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019931504	1	48	0.0	-11.49	370.07	5.97	-5.52
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1C1CCCCC1	REAL300019931505	0	48	-1.0	-44.24	368.96	6.38	-37.86
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1C1CCCCC1	REAL300019931505	1	48	-1.0	-44.21	369.12	6.37	-37.84
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1CCCCC1	REAL300019931505	1	49	0.0	-10.82	373.23	6.33	-4.49
CC(CC1=CC=CC=C1Cl)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931506	0	41	-1.0	-40.51	339.44	6.65	-33.86
CC(CC1=CC=CC=C1Cl)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931506	1	41	-1.0	-40.49	339.61	6.65	-33.84
CC(CC1=CC=CC=C1Cl)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931506	1	42	0.0	-10.19	342.36	6.56	-3.63
CC1=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C	REAL300019931507	0	39	-1.0	-46.03	318.60	3.89	-42.14
CC1=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C	REAL300019931507	1	39	-1.0	-46.02	318.77	3.89	-42.13
CC1=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C	REAL300019931507	1	40	0.0	-14.05	322.88	3.84	-10.21
O=C(CCCC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300019931508	0	43	-1.0	-48.23	382.97	7.50	-40.73
O=C(CCCC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300019931508	1	43	-1.0	-48.17	383.14	7.50	-40.67
O=C(CCCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300019931508	1	44	0.0	-19.08	387.28	7.47	-11.61
O=C(C1=CC=CN=C1OCC(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931509	0	38	-1.0	-51.68	325.00	2.42	-49.26
O=C(C1=CC=CN=C1OCC(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931509	1	38	-1.0	-51.63	325.17	2.41	-49.22
O=C(C1=CC=CN=C1OCC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019931509	1	39	0.0	-19.84	329.25	2.34	-17.50
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931510	0	43	-1.0	-50.17	357.47	5.75	-44.42
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931510	1	43	-1.0	-50.16	357.64	5.74	-44.42
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019931510	1	44	0.0	-17.38	357.18	5.60	-11.78
O=C(N1CCN(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=CC=C1F	REAL300019931511	0	35	-1.0	-42.73	296.01	5.34	-37.39
O=C(N1CCN(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CC=C1F	REAL300019931511	1	35	-1.0	-42.70	296.18	5.33	-37.37
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=CC=C1F	REAL300019931511	1	36	0.0	-14.24	300.64	4.79	-9.45
COCC1=NC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL300019931512	0	38	-1.0	-41.31	323.80	1.59	-39.72
COCC1=NC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL300019931512	1	38	-1.0	-41.25	323.96	1.58	-39.67
COCC1=NC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019931512	1	39	0.0	-11.46	326.90	1.57	-9.89
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)NC(C2=CC(C)=CC=C2)=N1	REAL300019931513	0	45	-1.0	-41.74	369.24	5.83	-35.91
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)NC(C2=CC(C)=CC=C2)=N1	REAL300019931513	1	45	-1.0	-41.67	369.40	5.83	-35.84
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC(C2=CC(C)=CC=C2)=N1	REAL300019931513	1	46	0.0	-13.11	367.61	6.24	-6.87
CC(C)(C)S(=O)(=O)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931514	0	40	-1.0	-54.47	324.76	1.16	-53.31
CC(C)(C)S(=O)(=O)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931514	1	40	-1.0	-54.46	324.93	1.16	-53.30
CC(C)(C)S(=O)(=O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931514	1	41	0.0	-26.08	329.07	1.13	-24.95
COC1=CC=CC=C1SCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931515	0	40	-1.0	-45.87	335.24	4.98	-40.89
COC1=CC=CC=C1SCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931515	1	40	-1.0	-45.87	335.40	4.97	-40.90
COC1=CC=CC=C1SCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931515	1	41	0.0	-16.43	339.47	4.91	-11.52
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931516	0	41	-1.0	-40.43	342.30	6.80	-33.63
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931516	1	41	-1.0	-40.40	342.46	6.79	-33.61
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931516	1	42	0.0	-9.85	345.44	6.67	-3.18
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O=C(C1=CC=C(OCC(F)F)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931517	1	38	-1.0	-43.46	323.74	1.92	-41.54
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931517	1	39	0.0	-13.50	329.75	1.94	-11.56
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C1=CC=NC=C1	REAL300019931518	0	41	-1.0	-43.51	334.84	3.88	-39.63
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C1=CC=NC=C1	REAL300019931518	1	41	-1.0	-43.43	335.00	3.87	-39.56
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931519	0	42	-1.0	-45.88	348.31	6.34	-39.54
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931519	1	42	-1.0	-45.85	348.47	6.33	-39.52
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019931519	1	43	0.0	-15.04	352.58	6.29	-8.75
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931520	0	44	-1.0	-45.65	367.83	5.09	-40.56
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931520	1	44	-1.0	-45.57	368.00	5.09	-40.48
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931520	1	45	0.0	-16.85	372.09	5.05	-11.80
CCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300019931521	0	41	-1.0	-41.26	328.49	6.24	-35.02
CCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300019931521	1	41	-1.0	-41.21	328.66	6.23	-34.98
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1	REAL300019931521	1	42	0.0	-11.71	334.85	6.25	-5.46
CC1=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C2=CC=CC=C2O1	REAL300019931522	0	41	-1.0	-46.45	336.97	6.30	-40.15
CC1=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C2=CC=CC=C2O1	REAL300019931522	1	41	-1.0	-46.43	337.13	6.29	-40.14
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2O1	REAL300019931522	1	42	0.0	-16.60	339.66	6.18	-10.42
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931523	0	44	-1.0	-47.92	370.19	3.54	-44.38
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931523	1	44	-1.0	-47.88	370.36	3.53	-44.35
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931523	1	45	0.0	-18.71	374.47	3.49	-15.22
CCSC1=CC(Cl)=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931524	0	39	-1.0	-42.64	339.83	6.40	-36.24
CCSC1=CC(Cl)=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931524	1	39	-1.0	-42.62	340.00	6.41	-36.21
CCSC1=CC(Cl)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931524	1	40	0.0	-11.67	343.98	6.37	-5.30
CCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCC(C)CC1	REAL300019931525	0	50	-1.0	-40.43	353.28	6.85	-33.58
CCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCC(C)CC1	REAL300019931525	1	50	-1.0	-40.40	353.45	6.84	-33.56
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCC(C)CC1	REAL300019931525	1	51	0.0	-10.29	357.55	6.80	-3.49
CC(C)CN1N=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1=O	REAL300019931526	0	45	-1.0	-39.79	356.61	4.07	-35.72
CC(C)CN1N=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1=O	REAL300019931526	1	45	-1.0	-39.72	356.78	4.06	-35.66
CC(C)CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1=O	REAL300019931526	1	46	0.0	-10.68	357.59	3.73	-6.95
O=C(CCC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C2NC(=O)CCC2=C1	REAL300019931527	0	48	-1.0	-45.67	389.22	4.92	-40.75
O=C(CCC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C2NC(=O)CCC2=C1	REAL300019931527	1	48	-1.0	-45.60	389.39	4.93	-40.67
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C2NC(=O)CCC2=C1	REAL300019931527	1	49	0.0	-15.34	393.47	4.90	-10.44
CC1=CC(C)=C(Br)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931528	0	38	-1.0	-42.85	321.95	5.88	-36.97
CC1=CC(C)=C(Br)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931528	1	38	-1.0	-42.82	322.12	5.88	-36.94
CC1=CC(C)=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931528	1	39	0.0	-11.59	327.53	5.89	-5.70
COCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC=C1	REAL300019931529	0	46	-1.0	-45.15	371.74	4.89	-40.26
COCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC=C1	REAL300019931529	1	46	-1.0	-45.13	371.90	4.88	-40.25
COCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1	REAL300019931529	1	47	0.0	-14.08	376.01	4.84	-9.24
CNC1=NN=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL300019931530	0	35	-1.0	-49.05	305.82	1.36	-47.69
CNC1=NN=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL300019931530	1	35	-1.0	-49.01	305.98	1.37	-47.64
CNC1=NN=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019931530	1	36	0.0	-18.36	310.09	1.32	-17.04
CCC1=CC=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL300019931531	0	39	-1.0	-42.26	322.81	5.39	-36.87
CCC1=CC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL300019931531	1	39	-1.0	-42.25	322.98	5.39	-36.86
CCC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019931531	1	40	0.0	-10.71	327.08	5.35	-5.36
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O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931532	1	39	-1.0	-45.69	326.62	6.51	-39.18
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931532	1	40	0.0	-14.94	330.73	6.47	-8.47
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931533	0	36	-1.0	-42.28	315.79	5.79	-36.49
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931533	1	36	-1.0	-42.26	315.95	5.79	-36.47
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931533	1	37	0.0	-13.08	320.06	5.74	-7.34
COC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1Cl	REAL300019931534	0	35	-1.0	-42.61	303.77	2.89	-39.72
COC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1Cl	REAL300019931534	1	35	-1.0	-42.59	303.94	2.90	-39.69
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1Cl	REAL300019931534	1	36	0.0	-9.96	308.05	2.85	-7.11
CC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019931535	0	43	-1.0	-49.91	343.51	6.07	-43.84
CC(C)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019931535	1	43	-1.0	-49.85	343.67	6.07	-43.78
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019931535	1	44	0.0	-17.91	347.78	6.02	-11.89
CC(C)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL300019931536	0	38	-1.0	-40.19	315.21	5.18	-35.01
CC(C)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL300019931536	1	38	-1.0	-40.13	315.38	5.17	-34.96
CC(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019931536	1	39	0.0	-9.71	320.39	5.18	-4.53
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931537	0	46	-1.0	-43.57	364.72	7.25	-36.32
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931537	1	46	-1.0	-43.51	364.89	7.24	-36.27
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931537	1	47	0.0	-16.41	376.79	7.51	-8.90
O=C(C1=C(F)C=CC=C1SC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931538	0	43	-1.0	-45.84	373.36	8.30	-37.54
O=C(C1=C(F)C=CC=C1SC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931538	1	43	-1.0	-45.82	373.53	8.30	-37.52
O=C(C1=C(F)C=CC=C1SC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931538	1	44	0.0	-13.10	377.64	8.26	-4.84
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931539	0	39	-1.0	-41.20	331.30	5.87	-35.33
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931539	1	39	-1.0	-41.17	331.47	5.87	-35.30
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931539	1	40	0.0	-10.38	335.87	5.86	-4.52
CC1=NC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300019931540	0	39	-1.0	-39.60	318.91	3.26	-36.34
CC1=NC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300019931540	1	39	-1.0	-39.61	319.07	3.27	-36.34
CC1=NC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=N1	REAL300019931540	1	40	0.0	-10.43	323.15	3.21	-7.22
NC(=O)C1=NC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931541	0	35	-1.0	-53.12	292.97	0.66	-52.46
NC(=O)C1=NC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931541	1	35	-1.0	-53.08	293.14	0.65	-52.43
NC(=O)C1=NC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931541	1	36	0.0	-19.93	297.24	0.60	-19.33
CN(C)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL300019931542	0	39	-1.0	-43.82	309.07	3.55	-40.27
CN(C)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL300019931542	1	39	-1.0	-43.76	309.24	3.54	-40.22
CN(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019931542	1	40	0.0	-11.04	313.23	3.48	-7.56
CN1CCN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1=O	REAL300019931543	0	41	-1.0	-47.50	315.76	0.15	-47.35
CN1CCN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1=O	REAL300019931543	1	41	-1.0	-47.45	315.92	0.15	-47.30
CN1CCN(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019931543	1	42	0.0	-18.22	320.03	0.10	-18.12
C[NH+](C)CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCCC1	REAL300019931544	0	50	0.0	-56.15	339.92	5.49	-50.66
C[NH+](C)CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCCC1	REAL300019931544	1	50	0.0	-56.07	340.08	5.50	-50.57
C[NH+](C)CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019931544	1	51	1.0	-43.43	344.18	5.45	-37.98
O=C(C1=C2SC=CC2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931545	0	35	-1.0	-45.74	300.42	5.45	-40.29
O=C(C1=C2SC=CC2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931545	1	35	-1.0	-45.74	300.59	5.45	-40.29
O=C(C1=C2SC=CC2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931545	1	36	0.0	-14.11	304.69	5.41	-8.70
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931546	0	35	-1.0	-39.31	299.17	1.91	-37.40
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931546	1	35	-1.0	-39.24	299.34	1.90	-37.34
NC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931546	1	36	0.0	-10.40	303.42	1.86	-8.54
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1(C)C	REAL300019931547	0	46	-1.0	-42.57	350.79	5.71	-36.86
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1(C)C	REAL300019931547	1	46	-1.0	-42.56	350.95	5.71	-36.85
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019931547	1	47	0.0	-11.57	355.25	5.67	-5.90
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931548	0	42	-1.0	-46.28	362.19	5.65	-40.63
O=C(C1=C2NC(C3=CC=CS3)=NC2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931548	1	42	-1.0	-46.26	362.36	5.64	-40.62
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300019931549	0	48	-1.0	-45.84	391.84	5.59	-40.25
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300019931549	1	48	-1.0	-45.86	391.67	5.60	-40.26
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300019931549	1	49	0.0	-62.96	394.80	6.04	-56.92
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931550	0	37	-2.0	-82.59	333.65	0.31	-82.28
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COC1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2)C=C1OC	REAL300019931584	1	51	0.0	-15.06	385.72	5.41	-9.65
CC1(C)CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CCO1	REAL300019931585	0	45	-1.0	-41.59	333.61	4.16	-37.43
CC1(C)CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CCO1	REAL300019931585	1	45	-1.0	-41.55	333.78	4.15	-37.40
CC1(C)CC(CC(=O)N2CCN(C3=NNN=N3)CC2)CCO1	REAL300019931585	1	46	0.0	-11.12	337.87	4.09	-7.03
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931586	0	40	-1.0	-44.10	340.58	5.48	-38.62
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931586	1	40	-1.0	-44.08	340.74	5.48	-38.60
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCN(C2=NNN=N2)CC1	REAL300019931586	1	41	0.0	-13.35	344.85	5.43	-7.92
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931587	0	45	-1.0	-42.68	384.12	8.04	-34.64
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931587	1	45	-1.0	-42.68	384.29	8.03	-34.65
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931587	1	46	0.0	-10.77	388.40	7.99	-2.78
CCC(CC)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(OC)C(OC)=C1	REAL300019931588	0	55	-1.0	-44.62	398.48	5.72	-38.90
CCC(CC)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C(OC)C(OC)=C1	REAL300019931588	1	55	-1.0	-44.58	398.65	5.71	-38.87
CCC(CC)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(OC)C(OC)=C1	REAL300019931588	1	56	0.0	-14.78	403.32	5.58	-9.20
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931589	0	53	-1.0	-48.95	402.82	6.89	-42.06
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931589	1	53	-1.0	-48.86	402.98	6.88	-41.98
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931589	1	54	0.0	-19.77	407.09	6.84	-12.93
CC1CCN(C(=O)C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019931590	0	42	-1.0	-38.73	328.41	3.26	-35.47
CC1CCN(C(=O)C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019931590	1	42	-1.0	-38.73	328.58	3.26	-35.47
CC1CCN(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931590	1	43	0.0	-11.98	332.71	3.22	-8.76
CC1CCCN(C(=O)C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019931591	0	42	-1.0	-38.90	319.55	3.09	-35.81
CC1CCCN(C(=O)C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019931591	1	42	-1.0	-38.86	319.71	3.09	-35.77
CC1CCCN(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931591	1	43	0.0	-6.74	323.82	3.04	-3.70
O=C(C1=COC(C2CCOCC2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931592	0	42	-1.0	-41.50	335.89	1.52	-39.98
O=C(C1=COC(C2CCOCC2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931592	1	42	-1.0	-41.46	336.06	1.52	-39.94
O=C(C1=COC(C2CCOCC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931592	1	43	0.0	-10.25	340.16	1.49	-8.76
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019931593	0	43	-2.0	-98.75	365.74	0.88	-97.87
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019931593	1	43	-2.0	-98.65	365.91	0.87	-97.78
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931594	0	45	-1.0	-41.30	356.72	3.98	-37.32
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931594	1	45	-1.0	-41.29	356.89	3.97	-37.32
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931594	1	46	0.0	-11.15	360.99	3.92	-7.23
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019931595	0	49	-1.0	-42.17	380.94	3.01	-39.16
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019931595	1	49	-1.0	-42.10	381.10	3.00	-39.10
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931595	1	50	0.0	-12.97	388.59	2.94	-10.03
NC(=O)C1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019931596	0	35	-1.0	-42.72	292.61	0.01	-42.71
NC(=O)C1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL300019931596	1	35	-1.0	-42.78	292.77	0.01	-42.77
NC(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931596	1	36	0.0	-12.20	296.88	-0.04	-12.24
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931597	0	43	-1.0	-46.68	367.69	8.21	-38.47
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931597	1	43	-1.0	-46.67	367.86	8.20	-38.47
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931597	1	44	0.0	-16.93	367.84	8.08	-8.85
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931598	0	55	-1.0	-40.75	392.46	5.89	-34.86
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931598	1	55	-1.0	-40.68	392.63	5.89	-34.79
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931598	1	56	0.0	-7.47	396.74	5.85	-1.62
O=C(C1=C(C2CCCC2)N=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931599	0	41	-1.0	-41.27	331.95	4.50	-36.77
O=C(C1=C(C2CCCC2)N=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931599	1	41	-1.0	-41.29	332.11	4.50	-36.79
O=C(C1=C(C2CCCC2)N=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019931599	1	42	0.0	-11.13	335.26	4.46	-6.67
COC1=CC=C(C(=O)CCCCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931600	0	50	-1.0	-46.08	401.89	6.62	-39.46
COC1=CC=C(C(=O)CCCCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931600	1	50	-1.0	-46.06	402.06	6.62	-39.44
COC1=CC=C(C(=O)CCCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931600	1	51	0.0	-15.46	406.20	6.59	-8.87
CC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C2=CC=CC=C2)O1	REAL300019931601	0	41	-1.0	-45.61	339.50	3.26	-42.35
CC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C2=CC=CC=C2)O1	REAL300019931601	1	41	-1.0	-45.56	339.67	3.25	-42.31
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C2=CC=CC=C2)O1	REAL300019931601	1	42	0.0	-14.00	349.00	3.38	-10.62
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931602	0	48	-1.0	-47.38	395.02	6.82	-40.56
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931602	1	48	-1.0	-47.33	395.19	6.82	-40.51
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931602	1	49	0.0	-20.05	398.44	6.73	-13.32
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019931603	0	47	-1.0	-50.89	387.86	4.15	-46.74
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019931603	1	47	-1.0	-50.81	388.03	4.16	-46.65
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931603	1	48	0.0	-21.53	392.13	4.11	-17.42
CC1=CC(Cl)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1C	REAL300019931604	0	38	-1.0	-43.22	318.73	5.83	-37.39
CC1=CC(Cl)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1C	REAL300019931604	1	38	-1.0	-43.22	318.90	5.82	-37.40
CC1=CC(Cl)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019931604	1	39	0.0	-11.79	323.00	5.78	-6.01
CC(C)C1CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CCO1	REAL300019931605	0	48	-1.0	-40.90	350.06	4.96	-35.94
CC(C)C1CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CCO1	REAL300019931605	1	48	-1.0	-40.84	350.22	4.96	-35.88
CC(C)C1CC(CC(=O)N2CCN(C3=NNN=N3)CC2)CCO1	REAL300019931605	1	49	0.0	-10.88	354.31	4.92	-5.96
CC1=C(C(=O)NCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CO1	REAL300019931606	0	39	-1.0	-43.11	323.99	1.64	-41.47
CC1=C(C(=O)NCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CO1	REAL300019931606	1	39	-1.0	-43.07	324.15	1.65	-41.42
CC1=C(C(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)C=CO1	REAL300019931606	1	40	0.0	-12.87	328.26	1.60	-11.27
O=C(CSC1=NN=C2C=CC=CN21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931607	0	38	-1.0	-49.24	331.84	6.13	-43.11
O=C(CSC1=NN=C2C=CC=CN21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931607	1	38	-1.0	-49.18	332.01	6.14	-43.04
O=C(CSC1=NN=C2C=CC=CN21)N1CCN(C2=NNN=N2)CC1	REAL300019931607	1	39	0.0	-17.71	336.07	6.08	-11.63
CC1=CC=C(C2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)S2)O1	REAL300019931608	0	39	-1.0	-41.60	337.92	5.83	-35.77
CC1=CC=C(C2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)S2)O1	REAL300019931608	1	39	-1.0	-41.58	338.08	5.82	-35.76
CC1=CC=C(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)S2)O1	REAL300019931608	1	40	0.0	-11.80	341.25	5.71	-6.09
CCC1=NN=C(C)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931609	0	39	-1.0	-41.93	312.90	3.15	-38.78
CCC1=NN=C(C)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931609	1	39	-1.0	-41.89	313.07	3.14	-38.75
CCC1=NN=C(C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931609	1	40	0.0	-13.09	317.17	3.09	-10.00
CCC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)N=N1	REAL300019931610	0	39	-1.0	-41.73	313.79	3.23	-38.50
CCC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)N=N1	REAL300019931610	1	39	-1.0	-41.71	313.95	3.22	-38.49
CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N=N1	REAL300019931610	1	40	0.0	-13.12	318.06	3.18	-9.94
CC(C)(C)OC(=O)CCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933202	0	49	-1.0	-43.33	381.33	6.51	-36.82
CC(C)(C)OC(=O)CCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933202	1	49	-1.0	-43.27	381.50	6.51	-36.76
CC(C)(C)OC(=O)CCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933202	1	50	0.0	-12.29	385.61	6.46	-5.83
C[C@H](NC(=O)C1=CC=CO1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933203	0	39	-1.0	-43.94	324.95	1.54	-42.40
C[C@H](NC(=O)C1=CC=CO1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933203	1	39	-1.0	-43.92	325.11	1.53	-42.39
C[C@H](NC(=O)C1=CC=CO1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933203	1	40	0.0	-12.92	329.22	1.48	-11.44
O=C(C1=NN(CCF)C(=O)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933204	0	37	-1.0	-40.93	311.32	2.75	-38.18
O=C(C1=NN(CCF)C(=O)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933204	1	37	-1.0	-40.92	311.49	2.75	-38.17
O=C(C1=NN(CCF)C(=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933204	1	38	0.0	-11.45	315.58	2.70	-8.75
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933205	0	38	-1.0	-39.09	325.14	4.80	-34.29
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933205	1	38	-1.0	-39.10	325.31	4.80	-34.30
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933205	1	39	0.0	-9.80	329.41	4.75	-5.05
CC(C)(C)C1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933206	0	44	-1.0	-42.10	338.88	6.38	-35.72
CC(C)(C)C1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933206	1	44	-1.0	-42.07	339.04	6.38	-35.69
CC(C)(C)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933206	1	45	0.0	-10.78	344.03	6.37	-4.41
O=C(C1=CC=C2OCCOC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933207	0	37	-1.0	-44.08	302.48	1.43	-42.65
O=C(C1=CC=C2OCCOC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933207	1	37	-1.0	-44.03	302.65	1.44	-42.59
O=C(C1=CC=C2OCCOC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933207	1	38	0.0	-11.23	306.76	1.39	-9.84
O=C(CCCC1=CC=C(F)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933208	0	41	-1.0	-43.76	337.32	6.79	-36.97
O=C(CCCC1=CC=C(F)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933208	1	41	-1.0	-43.73	337.49	6.78	-36.95
O=C(CCCC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933208	1	42	0.0	-13.76	341.55	6.72	-7.04
CS(=O)(=O)N1CCC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019933209	0	46	-1.0	-48.75	362.70	1.80	-46.95
CS(=O)(=O)N1CCC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019933209	1	46	-1.0	-48.70	362.87	1.81	-46.89
CS(=O)(=O)N1CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933209	1	47	0.0	-19.93	367.01	1.78	-18.15
CC1=NN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(=O)N1C	REAL300019933210	0	38	-1.0	-54.27	317.00	3.33	-50.94
CC1=NN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C(=O)N1C	REAL300019933210	1	38	-1.0	-54.24	317.17	3.33	-50.91
CC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1C	REAL300019933210	1	39	0.0	-21.48	321.47	3.30	-18.18
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COC1=CC=C2CCCC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C2=C1	REAL300019933212	0	46	-1.0	-47.18	354.47	5.83	-41.35
COC1=CC=C2CCCC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C2=C1	REAL300019933212	1	46	-1.0	-47.07	354.64	5.83	-41.24
COC1=CC=C2CCCC(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019933212	1	47	0.0	-14.81	358.75	5.79	-9.02
COC1=CN2N=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2C=C1	REAL300019933213	0	39	-1.0	-44.36	321.58	3.12	-41.24
COC1=CN2N=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2C=C1	REAL300019933213	1	39	-1.0	-44.30	321.75	3.12	-41.18
COC1=CN2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL300019933213	1	40	0.0	-13.40	325.13	3.04	-10.36
O=C(CCC1CCCCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933214	0	47	-1.0	-40.66	341.27	6.49	-34.17
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O=C(CCC1CCCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019933214	1	48	0.0	-10.12	345.51	6.44	-3.68
CC1(C)CC2=CC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2O1	REAL300019933215	0	43	-1.0	-48.23	341.54	5.35	-42.88
CC1(C)CC2=CC=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2O1	REAL300019933215	1	43	-1.0	-48.17	341.71	5.35	-42.82
CC1(C)CC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2O1	REAL300019933215	1	44	0.0	-15.59	345.80	5.31	-10.28
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O=C(C1CCCS1(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019933216	1	36	0.0	-21.50	290.77	1.16	-20.34
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O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933217	1	39	-1.0	-43.93	336.59	4.69	-39.24
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933217	1	40	0.0	-14.88	340.66	4.65	-10.23
NC1=NC(C2CC2)=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933218	0	39	-1.0	-40.31	318.01	2.66	-37.65
NC1=NC(C2CC2)=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933218	1	39	-1.0	-40.31	318.18	2.66	-37.65
NC1=NC(C2CC2)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933218	1	40	0.0	-10.44	322.28	2.63	-7.81
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CN1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300019933220	0	44	-1.0	-41.36	335.72	4.60	-36.76
CN1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300019933220	1	44	-1.0	-41.35	335.89	4.60	-36.75
CN1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019933220	1	45	0.0	-12.24	340.78	4.54	-7.70
CN(C)C1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300019933221	0	39	-1.0	-39.40	329.60	3.23	-36.17
CN(C)C1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300019933221	1	39	-1.0	-39.37	329.77	3.23	-36.14
CN(C)C1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019933221	1	40	0.0	-9.87	335.16	3.24	-6.63
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933222	0	45	-1.0	-42.05	362.33	6.05	-36.00
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933222	1	45	-1.0	-42.00	362.49	6.04	-35.96
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933222	1	46	0.0	-13.16	363.31	5.79	-7.37
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CC(=NO)C1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1(C)C	REAL300019933225	0	45	-1.0	-44.57	340.05	3.00	-41.57
CC(=NO)C1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1(C)C	REAL300019933225	1	45	-1.0	-44.54	340.22	3.00	-41.54
CC(=NO)C1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019933225	1	46	0.0	-15.42	344.32	2.95	-12.47
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CC1=CN=C2C=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=CN12	REAL300019933228	0	38	-1.0	-43.71	316.32	5.36	-38.35
CC1=CN=C2C=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=CN12	REAL300019933228	1	38	-1.0	-43.69	316.49	5.35	-38.34
CC1=CN=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CN12	REAL300019933228	1	39	0.0	-13.97	320.59	5.31	-8.66
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(N2CCOCC2)CC1	REAL300019933229	0	42	-1.0	-40.61	317.81	0.51	-40.10
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O=C(N1CCN(C2=NNN=N2)CC1)C1(N2CCOCC2)CC1	REAL300019933229	1	43	0.0	-11.62	322.08	0.47	-11.15
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O=C(C1=C(C(F)(F)F)N=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933230	1	31	-1.0	-42.91	273.89	0.09	-42.82
O=C(C1=C(C(F)(F)F)N=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019933230	1	32	0.0	-14.42	277.53	0.02	-14.40
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019933231	0	54	-1.0	-45.24	422.48	6.71	-38.53
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019933231	1	54	-1.0	-45.22	422.65	6.70	-38.52
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933231	1	55	0.0	-16.17	426.76	6.66	-9.51
CC1CC2=C(NN=C2)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933232	0	42	-1.0	-43.41	326.14	3.62	-39.79
CC1CC2=C(NN=C2)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933232	1	42	-1.0	-43.35	326.31	3.61	-39.74
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCO1	REAL300019933233	0	48	-1.0	-41.24	363.85	4.70	-36.54
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCO1	REAL300019933233	1	48	-1.0	-41.23	364.02	4.69	-36.54
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCO1	REAL300019933233	1	49	0.0	-10.44	368.12	4.65	-5.79
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933234	0	38	-1.0	-45.37	322.24	5.40	-39.97
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933234	1	38	-1.0	-45.31	322.40	5.41	-39.90
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933235	0	40	-1.0	-46.67	329.86	4.34	-42.33
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933235	1	40	-1.0	-46.59	330.02	4.33	-42.26
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCN(C2=NNN=N2)CC1	REAL300019933235	1	41	0.0	-15.14	333.96	4.34	-10.80
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O=C(C1=CSC(Br)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933236	1	29	0.0	-8.64	273.30	2.47	-6.17
CC(C)CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1C=CN=C1	REAL300019933237	0	44	-1.0	-39.77	342.62	6.63	-33.14
CC(C)CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1C=CN=C1	REAL300019933237	1	44	-1.0	-39.73	342.78	6.63	-33.10
CN1CCCC1C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1	REAL300019933238	0	44	-1.0	-42.03	346.64	1.61	-40.42
CN1CCCC1C1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1	REAL300019933238	1	44	-1.0	-42.00	346.80	1.60	-40.40
CN1C(=O)CSC1=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933239	0	35	-1.0	-43.64	296.66	2.89	-40.75
CN1C(=O)CSC1=CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933239	1	35	-1.0	-43.63	296.83	2.88	-40.75
CN1C(=O)CSC1=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933239	1	36	0.0	-13.18	299.77	2.81	-10.37
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC(C2=CC=CC=C2)=NO1	REAL300019933240	0	43	-1.0	-41.28	345.78	5.26	-36.02
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC(C2=CC=CC=C2)=NO1	REAL300019933240	1	43	-1.0	-41.23	345.95	5.26	-35.97
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C2=CC=CC=C2)=NO1	REAL300019933240	1	44	0.0	-10.20	350.06	5.21	-4.99
O=C(CCC(=O)N1CCN(C2=NN=N[N-]2)CC1)NC1=C(F)C=CC=C1F	REAL300019933241	0	42	-1.0	-46.49	359.93	4.40	-42.09
O=C(CCC(=O)N1CCN(C2=N[N-]N=N2)CC1)NC1=C(F)C=CC=C1F	REAL300019933241	1	42	-1.0	-46.44	360.09	4.40	-42.04
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)NC1=C(F)C=CC=C1F	REAL300019933241	1	43	0.0	-14.95	364.24	4.37	-10.58
CN(C)C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300019933242	0	43	-1.0	-39.58	347.94	4.48	-35.10
CN(C)C(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019933242	1	43	-1.0	-39.48	348.11	4.47	-35.01
C[NH+](C)C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300019933242	1	44	0.0	-58.17	348.43	6.53	-51.64
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC1	REAL300019933243	0	47	-1.0	-41.20	356.69	5.62	-35.58
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC1	REAL300019933243	1	47	-1.0	-41.16	356.85	5.63	-35.53
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019933243	1	48	0.0	-9.34	360.97	5.58	-3.76
CC1=CC=CC2=NC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)N21	REAL300019933244	0	38	-1.0	-45.44	298.34	4.87	-40.57
CC1=CC=CC2=NC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)N21	REAL300019933244	1	38	-1.0	-45.39	298.51	4.86	-40.53
CC1=CC=CC2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N21	REAL300019933244	1	39	0.0	-13.40	302.61	4.81	-8.59
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)NC(=O)C2=CC=CC=C21	REAL300019933245	0	41	-1.0	-45.86	335.92	3.71	-42.15
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)NC(=O)C2=CC=CC=C21	REAL300019933245	1	41	-1.0	-45.87	336.08	3.72	-42.15
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC(=O)C2=CC=CC=C21	REAL300019933245	1	42	0.0	-14.59	340.39	3.69	-10.90
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)N1CCC2=CC=CC=C21	REAL300019933246	0	47	-1.0	-43.55	353.26	5.55	-38.00
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)N1CCC2=CC=CC=C21	REAL300019933246	1	47	-1.0	-43.52	353.42	5.55	-37.97
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)N1CCC2=CC=CC=C21	REAL300019933246	1	48	0.0	-11.61	357.54	5.51	-6.10
CCN1C(=O)NC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C21	REAL300019933247	0	42	-1.0	-45.77	343.47	3.92	-41.85
CCN1C(=O)NC2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C21	REAL300019933247	1	42	-1.0	-45.72	343.63	3.92	-41.80
CCN1C(=O)NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019933247	1	43	0.0	-16.51	347.74	3.87	-12.64
CSC1=CC(Br)=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933248	0	36	-1.0	-42.56	322.93	5.67	-36.89
CSC1=CC(Br)=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933248	1	36	-1.0	-42.51	323.09	5.67	-36.84
CSC1=CC(Br)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933248	1	37	0.0	-11.77	323.92	5.56	-6.21
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(NC2CC2)=N1	REAL300019933249	0	43	-1.0	-40.81	344.06	4.20	-36.61
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(NC2CC2)=N1	REAL300019933249	1	43	-1.0	-40.76	344.22	4.20	-36.56
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(NC2CC2)=N1	REAL300019933249	1	44	0.0	-11.53	348.35	4.15	-7.38
COC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC=C1Br	REAL300019933250	0	39	-1.0	-42.10	326.09	4.48	-37.62
COC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC=C1Br	REAL300019933250	1	39	-1.0	-42.07	326.26	4.47	-37.60
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1Br	REAL300019933250	1	40	0.0	-11.29	333.42	4.79	-6.50
CC1=CC=C(C2=NC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)S2)C=C1C	REAL300019933251	0	44	-1.0	-41.75	365.23	6.14	-35.61
CC1=CC=C(C2=NC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)S2)C=C1C	REAL300019933251	1	44	-1.0	-41.69	365.39	6.13	-35.56
CC1=CC=C(C2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)S2)C=C1C	REAL300019933251	1	45	0.0	-12.33	369.50	6.09	-6.24
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933252	0	41	-1.0	-42.85	348.98	5.01	-37.84
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933252	1	41	-1.0	-42.75	349.15	5.02	-37.73
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NC1=C(Cl)C(F)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019933258	1	35	0.0	-9.40	315.55	3.10	-6.30
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COC1=CC=CC(O)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933263	0	37	-1.0	-45.39	307.44	0.80	-44.59
COC1=CC=CC(O)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933263	1	37	-1.0	-45.34	307.60	0.80	-44.54
O=C(C1=CSC(N2CCCCC2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933264	0	43	-1.0	-42.11	345.31	4.39	-37.72
O=C(C1=CSC(N2CCCCC2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933264	1	43	-1.0	-42.09	345.47	4.38	-37.71
O=C(C1=CSC(N2CCCCC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933264	1	44	0.0	-8.61	349.58	4.34	-4.27
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O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933265	1	39	-1.0	-42.61	330.31	2.85	-39.76
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933265	1	40	0.0	-10.82	334.09	2.77	-8.05
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933266	0	52	-1.0	-45.29	378.87	6.81	-38.48
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933266	1	52	-1.0	-45.27	379.04	6.82	-38.45
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933266	1	53	0.0	-15.91	383.89	6.92	-8.99
O=C(C1=CC2=CN=CC=C2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933267	0	37	-1.0	-42.58	304.77	4.59	-37.99
O=C(C1=CC2=CN=CC=C2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933267	1	37	-1.0	-42.52	304.94	4.58	-37.94
O=C(C1=CC2=CN=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933267	1	38	0.0	-12.30	309.04	4.53	-7.77
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019933268	0	50	-1.0	-45.18	387.08	5.16	-40.02
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019933268	1	50	-1.0	-45.19	387.24	5.15	-40.04
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933268	1	51	0.0	-15.59	391.35	5.10	-10.49
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933269	0	46	-1.0	-48.76	374.42	1.92	-46.84
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933269	1	46	-1.0	-48.71	374.59	1.91	-46.80
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933269	1	47	0.0	-19.76	379.38	1.74	-18.02
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300019933270	0	42	-1.0	-49.63	360.54	-1.58	-51.21
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300019933270	1	42	-1.0	-49.55	360.71	-1.59	-51.14
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019933270	1	43	0.0	-21.86	364.77	-1.65	-23.51
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933271	0	35	-1.0	-46.38	294.70	0.16	-46.22
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933271	1	35	-1.0	-46.33	294.87	0.15	-46.18
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCN(C2=NNN=N2)CC1	REAL300019933271	1	36	0.0	-17.17	299.07	0.11	-17.06
CN1CCC(CC2=CC=CC=C2)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL300019933272	0	49	-1.0	-50.65	371.76	5.48	-45.17
CN1CCC(CC2=CC=CC=C2)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL300019933272	1	49	-1.0	-50.65	371.92	5.48	-45.17
CN1CCC(CC2=CC=CC=C2)(C(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019933272	1	50	0.0	-15.72	373.25	5.81	-9.91
CN1C(=O)[C@H](O)[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)[C@H]1C1=CC=CC=C1	REAL300019933273	0	47	-1.0	-43.27	371.18	2.39	-40.88
CN1C(=O)[C@H](O)[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)[C@H]1C1=CC=CC=C1	REAL300019933273	1	47	-1.0	-43.24	371.35	2.38	-40.86
CN1C(=O)[C@H](O)[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)[C@H]1C1=CC=CC=C1	REAL300019933273	1	48	0.0	-14.16	375.46	2.33	-11.83
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C21	REAL300019933274	0	51	0.0	-64.73	401.42	5.21	-59.52
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019933274	1	52	1.0	-53.30	405.66	5.16	-48.14
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933275	0	40	-1.0	-43.77	331.97	4.45	-39.32
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933275	1	40	-1.0	-43.77	332.14	4.44	-39.33
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933275	1	41	0.0	-13.34	336.20	4.40	-8.94
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC=CCC1	REAL300019933276	0	51	-1.0	-40.27	373.67	6.40	-33.87
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC=CCC1	REAL300019933276	1	51	-1.0	-40.26	373.84	6.39	-33.87
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC=CCC1	REAL300019933276	1	52	0.0	-8.28	382.22	6.49	-1.79
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300019933277	0	43	-1.0	-42.82	358.68	5.77	-37.05
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300019933277	1	43	-1.0	-42.78	358.85	5.77	-37.01
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300019933277	1	44	0.0	-13.87	362.87	5.71	-8.16
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC(C2=CC=CC=C2F)=N1	REAL300019933278	0	41	-1.0	-44.77	350.26	5.86	-38.91
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC(C2=CC=CC=C2F)=N1	REAL300019933278	1	41	-1.0	-44.75	350.42	5.85	-38.90
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=CC=CC=C2F)=N1	REAL300019933278	1	42	0.0	-15.00	354.53	5.81	-9.19
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933279	0	37	-1.0	-43.88	312.38	6.78	-37.10
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933279	1	37	-1.0	-43.86	312.55	6.78	-37.08
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O=C(C1=C2N=CSC2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933280	0	34	-1.0	-49.34	295.34	3.51	-45.83
O=C(C1=C2N=CSC2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933280	1	34	-1.0	-49.32	295.50	3.51	-45.81
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CC(C)C1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCCCC2)C=C1	REAL300019933368	1	58	0.0	-9.08	412.36	9.06	-0.02
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CC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(F)(F)F	REAL300019933372	1	44	0.0	-11.14	367.03	6.10	-5.04
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCN(C4=NN=N[N-]4)CC3)C2=C1	REAL300019933373	0	51	-1.0	-46.06	396.99	8.00	-38.06
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCN(C4=N[N-]N=N4)CC3)C2=C1	REAL300019933373	1	51	-1.0	-46.03	397.16	8.00	-38.03
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019933373	1	52	0.0	-13.10	401.33	7.96	-5.14
COC1=NOC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933374	0	38	-1.0	-43.50	317.35	1.51	-41.99
COC1=NOC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933374	1	38	-1.0	-43.48	317.51	1.50	-41.98
COC1=NOC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933374	1	39	0.0	-13.24	321.62	1.46	-11.78
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CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC=CC1	REAL300019933376	0	48	-1.0	-38.61	357.19	6.05	-32.56
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC=CC1	REAL300019933376	1	48	-1.0	-38.61	357.36	6.05	-32.56
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC=CC1	REAL300019933376	1	49	0.0	-8.92	362.75	5.86	-3.06
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL300019933377	0	52	-1.0	-43.52	374.42	7.18	-36.34
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL300019933377	1	52	-1.0	-43.46	374.58	7.17	-36.29
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)C	REAL300019933377	1	53	0.0	-14.58	381.83	7.02	-7.56
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC1	REAL300019933378	0	47	-1.0	-42.00	368.26	6.18	-35.82
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC1	REAL300019933378	1	47	-1.0	-41.96	368.43	6.17	-35.79
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019933378	1	48	0.0	-12.07	372.37	6.12	-5.95
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC2CCC1C2	REAL300019933379	0	54	-1.0	-39.26	391.04	7.09	-32.17
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC2CCC1C2	REAL300019933379	1	54	-1.0	-39.20	391.21	7.09	-32.11
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2CCC1C2	REAL300019933379	1	55	0.0	-8.12	395.32	7.04	-1.08
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019933380	0	53	-1.0	-45.92	388.67	6.93	-38.99
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019933380	1	53	-1.0	-45.90	388.83	6.92	-38.98
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933380	1	54	0.0	-12.65	402.57	7.15	-5.50
C=C(C)CC(NC(C)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933381	0	42	-1.0	-49.60	331.32	3.58	-46.02
C=C(C)CC(NC(C)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933381	1	42	-1.0	-49.56	331.49	3.57	-45.99
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CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1(Br)Br	REAL300019933382	0	32	-1.0	-40.06	288.87	4.11	-35.95
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1(Br)Br	REAL300019933382	1	32	-1.0	-40.05	289.04	4.11	-35.94
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1(Br)Br	REAL300019933382	1	33	0.0	-7.83	296.61	4.23	-3.60
COC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC(F)(F)CC1	REAL300019933383	0	42	-1.0	-38.00	315.11	3.42	-34.58
COC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC(F)(F)CC1	REAL300019933383	1	42	-1.0	-37.96	315.28	3.42	-34.54
COC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC(F)(F)CC1	REAL300019933383	1	43	0.0	-8.60	319.38	3.37	-5.23
CN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C1=CC=CC=C1	REAL300019933384	0	43	-1.0	-46.20	347.30	7.02	-39.18
CN1C=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C1=CC=CC=C1	REAL300019933384	1	43	-1.0	-46.21	347.47	7.01	-39.20
CN1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1=CC=CC=C1	REAL300019933384	1	44	0.0	-14.07	351.57	6.97	-7.10
CCCCCC1=NNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933385	0	44	-1.0	-39.76	349.80	4.60	-35.16
CCCCCC1=NNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933385	1	44	-1.0	-39.70	349.96	4.59	-35.11
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933386	0	42	-1.0	-41.69	335.31	2.79	-38.90
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933386	1	42	-1.0	-41.64	335.48	2.80	-38.84
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933386	1	43	0.0	-12.24	339.58	2.75	-9.49
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)N1C1CCOCC1	REAL300019933387	0	50	-1.0	-43.43	372.03	5.36	-38.07
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)N1C1CCOCC1	REAL300019933387	1	50	-1.0	-43.42	372.20	5.35	-38.07
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1CCOCC1	REAL300019933387	1	51	0.0	-11.23	376.22	5.30	-5.93
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933388	0	38	-1.0	-39.53	325.26	5.24	-34.29
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933388	1	38	-1.0	-39.51	325.43	5.23	-34.28
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019933388	1	39	0.0	-9.53	329.85	5.33	-4.20
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(NCC(F)(F)F)=N1	REAL300019933389	0	42	-1.0	-41.66	355.03	3.83	-37.83
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(NCC(F)(F)F)=N1	REAL300019933389	1	42	-1.0	-41.71	355.20	3.82	-37.89
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(NCC(F)(F)F)=N1	REAL300019933389	1	43	0.0	-12.40	359.30	3.77	-8.63
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019933390	0	36	-1.0	-42.36	308.11	4.39	-37.97
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL300019933390	1	36	-1.0	-42.29	308.27	4.39	-37.90
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019933390	1	37	0.0	-12.54	312.37	4.35	-8.19
CC1(C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC(C)(C)C1	REAL300019933391	0	50	-1.0	-39.61	360.13	6.43	-33.18
CC1(C)CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC(C)(C)C1	REAL300019933391	1	50	-1.0	-39.57	360.30	6.44	-33.13
CC1(C)CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C)(C)C1	REAL300019933391	1	51	0.0	-9.80	364.40	6.39	-3.41
O=C(CN1C=C(C2CC2)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933392	0	39	-1.0	-47.24	319.53	4.63	-42.61
O=C(CN1C=C(C2CC2)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933392	1	39	-1.0	-47.18	319.70	4.62	-42.56
O=C(CN1C=C(C2CC2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933392	1	40	0.0	-18.30	323.80	4.58	-13.72
O=C(C1=CC=CC2=C1COCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933393	0	40	-1.0	-44.09	315.84	4.19	-39.90
O=C(C1=CC=CC2=C1COCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933393	1	40	-1.0	-44.08	316.00	4.18	-39.90
O=C(C1=CC=CC2=C1COCC2)N1CCN(C2=NNN=N2)CC1	REAL300019933393	1	41	0.0	-12.12	318.82	4.07	-8.05
CC(C)(C)N1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1Br	REAL300019933394	0	41	-1.0	-41.91	339.78	4.08	-37.83
CC(C)(C)N1N=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1Br	REAL300019933394	1	41	-1.0	-41.89	339.95	4.08	-37.81
CC(C)(C)N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019933394	1	42	0.0	-11.20	344.06	4.04	-7.16
CC1=CC(F)=CC(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933395	0	38	-1.0	-39.30	312.88	5.38	-33.92
CC1=CC(F)=CC(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933395	1	38	-1.0	-39.23	313.05	5.38	-33.85
CC1=CC(F)=CC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933395	1	39	0.0	-9.58	317.15	5.35	-4.23
CN1N=CC(C2CCC2)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933396	0	42	-1.0	-40.72	337.43	4.57	-36.15
CN1N=CC(C2CCC2)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933396	1	42	-1.0	-40.68	337.59	4.57	-36.11
CN1N=CC(C2CCC2)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933396	1	43	0.0	-10.57	341.65	4.54	-6.03
C[C@@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019933397	0	48	-1.0	-40.88	364.99	4.20	-36.68
C[C@@H](C(=O)N1CCN(C2=N[N-]N=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019933397	1	48	-1.0	-40.83	365.16	4.19	-36.64
C[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019933397	1	49	0.0	-11.61	369.21	4.14	-7.47
COC(=O)C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)O1	REAL300019933398	0	38	-1.0	-41.03	321.65	3.76	-37.27
COC(=O)C1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)O1	REAL300019933398	1	38	-1.0	-41.01	321.81	3.77	-37.24
COC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)O1	REAL300019933398	1	39	0.0	-11.11	325.92	3.73	-7.38
O=C(C(CO)C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933399	0	39	-1.0	-42.73	313.92	2.12	-40.61
O=C(C(CO)C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933399	1	39	-1.0	-42.67	314.08	2.12	-40.55
O=C(C(CO)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933399	1	40	0.0	-12.40	318.20	2.08	-10.32
O=C(C1CC[N@@H+]1C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933400	0	45	0.0	-61.02	335.39	5.71	-55.31
O=C(C1CC[N@H+]1C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933400	1	45	0.0	-58.74	327.66	5.21	-53.53
O=C(C1CC[N@@H+]1C1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019933400	1	46	1.0	-40.92	332.33	5.22	-35.70
O=C(C1CC[N@H+]1C1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019933400	1	46	1.0	-41.13	331.96	5.16	-35.97
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933401	0	31	-1.0	-38.60	294.39	4.20	-34.40
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933401	1	31	-1.0	-38.55	294.56	4.19	-34.36
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933401	1	32	0.0	-7.97	298.66	4.14	-3.83
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933402	0	39	-1.0	-47.07	322.56	0.37	-46.70
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933402	1	39	-1.0	-47.08	322.73	0.36	-46.72
O=C(CC1=CN=CC2=CC=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933403	0	40	-1.0	-45.48	325.92	5.48	-40.00
O=C(CC1=CN=CC2=CC=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933403	1	40	-1.0	-45.40	326.08	5.48	-39.92
O=C(CC1=CN=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933403	1	41	0.0	-15.80	330.16	5.42	-10.38
CC(=CC(=O)N1CCN(C2=NN=N[N-]2)CC1)CN1CCOCC1	REAL300019933404	0	45	-1.0	-40.92	344.57	1.84	-39.08
CC(=CC(=O)N1CCN(C2=N[N-]N=N2)CC1)CN1CCOCC1	REAL300019933404	1	45	-1.0	-40.87	344.74	1.84	-39.03
CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)CN1CCOCC1	REAL300019933404	1	46	0.0	-10.58	348.85	1.80	-8.78
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933405	0	34	-1.0	-43.10	296.74	-0.81	-43.91
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933405	1	34	-1.0	-43.06	296.91	-0.82	-43.88
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019933405	1	35	0.0	-12.27	301.01	-0.86	-13.13
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933406	0	35	-1.0	-48.72	303.77	3.21	-45.51
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933406	1	35	-1.0	-48.67	303.94	3.21	-45.46
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCN(C2=NNN=N2)CC1	REAL300019933406	1	36	0.0	-18.11	308.04	3.18	-14.93
CN(C)C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300019933407	0	43	-1.0	-40.53	353.40	5.48	-35.05
CN(C)C1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(C(F)(F)F)=C1	REAL300019933407	1	43	-1.0	-40.51	353.57	5.47	-35.04
CN(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(C(F)(F)F)=C1	REAL300019933407	1	44	0.0	-9.77	357.67	5.42	-4.35
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933408	0	36	-1.0	-40.91	319.11	5.51	-35.40
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933408	1	36	-1.0	-40.83	319.27	5.51	-35.32
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933408	1	37	0.0	-11.10	322.18	5.44	-5.66
CC1=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)SC(SCC(C)C)=N1	REAL300019933409	0	47	-1.0	-43.22	397.75	6.35	-36.87
CC1=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)SC(SCC(C)C)=N1	REAL300019933409	1	47	-1.0	-43.19	397.91	6.35	-36.84
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)SC(SCC(C)C)=N1	REAL300019933409	1	48	0.0	-14.14	402.02	6.30	-7.84
O=C(C1=NN2C=CC=NC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933410	0	33	-1.0	-52.62	281.01	5.08	-47.54
O=C(C1=NN2C=CC=NC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933410	1	33	-1.0	-52.57	281.18	5.08	-47.49
O=C(C1=NN2C=CC=NC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933410	1	34	0.0	-19.18	285.29	5.03	-14.15
CC1=C2C=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)NC2=CC=C1Br	REAL300019933411	0	39	-1.0	-40.42	332.71	5.68	-34.74
CC1=C2C=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)NC2=CC=C1Br	REAL300019933411	1	39	-1.0	-40.40	332.87	5.68	-34.72
CC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=CC=C1Br	REAL300019933411	1	40	0.0	-11.37	336.97	5.64	-5.73
COC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933412	0	39	-1.0	-43.51	318.81	4.71	-38.80
COC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933412	1	39	-1.0	-43.46	318.98	4.70	-38.76
COC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933412	1	40	0.0	-13.26	323.11	4.20	-9.06
CC1=NNC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C12	REAL300019933413	0	38	-1.0	-43.40	311.30	3.35	-40.05
CC1=NNC2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C12	REAL300019933413	1	38	-1.0	-43.39	311.46	3.35	-40.04
CC1=NNC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019933413	1	39	0.0	-12.92	316.45	3.33	-9.59
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933414	0	37	-1.0	-46.42	314.08	4.69	-41.73
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933414	1	37	-1.0	-46.37	314.25	4.68	-41.69
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933414	1	38	0.0	-13.96	318.29	4.63	-9.33
NC(=O)N=NC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019933415	0	38	-1.0	-46.83	324.81	-0.72	-47.55
NC(=O)N=NC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019933415	1	38	-1.0	-46.77	324.97	-0.73	-47.50
NC(=O)N=NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933415	1	39	0.0	-17.79	328.18	-0.81	-18.60
O=C(C1=CNC(=S)N1C1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933416	0	37	-1.0	-46.52	314.02	4.45	-42.07
O=C(C1=CNC(=S)N1C1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933416	1	37	-1.0	-46.48	314.18	4.44	-42.04
O=C(C1=CNC(=S)N1C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019933416	1	38	0.0	-17.93	318.29	4.40	-13.53
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933417	0	37	-1.0	-44.53	315.22	1.99	-42.54
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933417	1	37	-1.0	-44.48	315.39	1.98	-42.50
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933417	1	38	0.0	-11.05	319.50	1.94	-9.11
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933418	0	42	-1.0	-46.02	363.55	4.42	-41.60
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933418	1	42	-1.0	-45.92	363.72	4.41	-41.51
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933418	1	43	0.0	-15.51	367.79	4.36	-11.15
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933419	0	51	-1.0	-50.66	402.37	6.93	-43.73
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933419	1	51	-1.0	-50.67	402.53	6.92	-43.75
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933419	1	52	0.0	-19.47	407.90	6.92	-12.55
COCCCN1N=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CC1=O	REAL300019933420	0	44	-1.0	-41.86	360.78	2.45	-39.41
COCCCN1N=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CC1=O	REAL300019933420	1	44	-1.0	-41.85	360.95	2.44	-39.41
COCCCN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC1=O	REAL300019933420	1	45	0.0	-13.26	365.05	2.40	-10.86
CC(C)(C)N1C=C(Br)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019933421	0	41	-1.0	-43.78	345.00	5.12	-38.66
CC(C)(C)N1C=C(Br)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL300019933421	1	41	-1.0	-43.76	345.17	5.11	-38.65
CC(C)(C)N1C=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019933421	1	42	0.0	-11.52	349.28	5.07	-6.45
O=C(C1=C2C=CSC2=NC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933422	0	33	-1.0	-41.35	286.15	4.24	-37.11
O=C(C1=C2C=CSC2=NC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933422	1	33	-1.0	-41.32	286.31	4.23	-37.09
O=C(C1=C2C=CSC2=NC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933422	1	34	0.0	-10.35	293.37	4.03	-6.32
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933423	0	49	-1.0	-38.94	345.38	5.19	-33.75
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933423	1	49	-1.0	-38.88	345.54	5.18	-33.70
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019933423	1	50	0.0	-11.63	354.29	4.94	-6.69
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933424	0	34	-1.0	-50.68	289.55	1.56	-49.12
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933424	1	34	-1.0	-50.65	289.72	1.56	-49.09
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933424	1	35	0.0	-17.23	293.82	1.51	-15.72
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933425	0	60	-1.0	-43.23	441.92	6.35	-36.88
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933425	1	60	-1.0	-43.18	442.08	6.35	-36.83
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933425	1	61	0.0	-15.29	451.66	5.29	-10.00
CC(C)(C)OC(=O)CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCOCC1	REAL300019933426	0	54	-1.0	-45.49	387.12	5.13	-40.36
CC(C)(C)OC(=O)CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCOCC1	REAL300019933426	1	54	-1.0	-45.41	387.29	5.13	-40.28
CC(C)(C)OC(=O)CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019933426	1	55	0.0	-15.72	391.40	5.09	-10.63
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CC=C21	REAL300019933427	0	46	-1.0	-43.85	368.11	5.62	-38.23
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CC=C21	REAL300019933427	1	46	-1.0	-43.80	368.28	5.61	-38.19
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019933427	1	47	0.0	-14.36	372.38	5.56	-8.80
CC(C)C1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933428	0	41	-1.0	-42.06	321.59	5.99	-36.07
CC(C)C1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933428	1	41	-1.0	-41.97	321.76	5.98	-35.99
CC(C)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933428	1	42	0.0	-10.32	325.87	5.94	-4.38
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019933429	0	51	-1.0	-46.82	403.59	6.98	-39.84
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019933429	1	51	-1.0	-46.76	403.76	6.97	-39.79
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933429	1	52	0.0	-17.01	407.71	6.93	-10.08
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933430	0	56	-1.0	-50.93	416.71	6.43	-44.50
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933430	1	56	-1.0	-50.91	416.88	6.43	-44.48
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933430	1	57	0.0	-19.79	420.98	6.39	-13.40
CC1=NN(C(C)CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019933431	0	41	-1.0	-41.80	326.89	4.14	-37.66
CC1=NN(C(C)CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019933431	1	41	-1.0	-41.79	327.06	4.14	-37.65
CC1=NN(C(C)CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933431	1	42	0.0	-13.03	331.19	4.11	-8.92
O=C(CCCC1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933432	0	40	-1.0	-44.99	325.70	4.91	-40.08
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O=C(CCCC1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933432	1	41	0.0	-15.53	330.01	4.88	-10.65
COC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1C(F)(F)F	REAL300019933433	0	39	-1.0	-41.59	329.76	4.47	-37.12
COC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1C(F)(F)F	REAL300019933433	1	39	-1.0	-41.62	329.92	4.46	-37.16
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C(F)(F)F	REAL300019933433	1	40	0.0	-12.41	334.03	4.42	-7.99
CC(C)(C)N1N=NC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019933434	0	42	-1.0	-48.06	341.38	2.71	-45.35
CC(C)(C)N1N=NC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL300019933434	1	42	-1.0	-48.01	341.54	2.71	-45.30
CC(C)(C)N1N=NC(CC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019933434	1	43	0.0	-18.15	345.65	2.66	-15.49
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CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933436	1	41	0.0	-9.32	339.06	4.06	-5.26
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COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019933438	0	43	-1.0	-42.36	344.87	5.72	-36.64
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019933438	1	43	-1.0	-42.33	345.03	5.72	-36.61
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933438	1	44	0.0	-12.89	349.16	5.68	-7.21
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COCC1=CN=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933441	0	38	-1.0	-42.13	312.61	1.90	-40.23
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COCC1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933441	1	39	0.0	-11.56	317.84	1.89	-9.67
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CN(C)C(=O)C1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019933443	0	48	-1.0	-50.70	351.37	4.15	-46.55
CN(C)C(=O)C1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019933443	1	48	-1.0	-50.63	351.54	4.14	-46.49
CN(C)C(=O)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933443	1	49	0.0	-16.02	363.80	4.27	-11.75
CC1=C(Br)C=NC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933444	0	34	-1.0	-39.26	295.32	3.36	-35.90
CC1=C(Br)C=NC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933444	1	34	-1.0	-39.17	295.48	3.36	-35.81
CC1=C(Br)C=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933444	1	35	0.0	-9.21	299.59	3.31	-5.90
CC(C)[C@@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1CC2=CC=CC=C2C1=O	REAL300019933445	0	49	-1.0	-54.57	373.39	7.91	-46.66
CC(C)[C@@H](C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1CC2=CC=CC=C2C1=O	REAL300019933445	1	49	-1.0	-54.60	373.55	7.91	-46.69
CC(C)[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)N1CC2=CC=CC=C2C1=O	REAL300019933445	1	50	0.0	-25.11	377.17	8.02	-17.09
COC1=CC=C(OC(C)(C)C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019933446	0	46	-1.0	-39.68	349.72	4.12	-35.56
COC1=CC=C(OC(C)(C)C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019933446	1	46	-1.0	-39.63	349.88	4.11	-35.52
COC1=CC=C(OC(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933446	1	47	0.0	-14.22	348.71	4.47	-9.75
CC(C)CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300019933447	0	47	-1.0	-40.17	377.53	7.95	-32.22
CC(C)CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019933447	1	47	-1.0	-40.16	377.69	7.94	-32.22
CC(C)CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019933447	1	48	0.0	-11.27	381.80	7.90	-3.37
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CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C21	REAL300019933449	0	45	-1.0	-45.42	358.26	4.37	-41.05
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C21	REAL300019933449	1	45	-1.0	-45.35	358.43	4.36	-40.99
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019933449	1	46	0.0	-16.11	362.53	4.32	-11.79
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COC1=CC=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1Cl	REAL300019933451	0	39	-1.0	-46.74	331.04	4.89	-41.85
COC1=CC=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1Cl	REAL300019933451	1	39	-1.0	-46.71	331.21	4.89	-41.82
COC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019933451	1	40	0.0	-14.36	335.28	4.83	-9.53
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933452	0	42	-1.0	-38.15	341.51	5.45	-32.70
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933452	1	42	-1.0	-38.10	341.68	5.44	-32.66
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933452	1	43	0.0	-12.56	340.51	5.81	-6.75
CCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019933453	0	51	-1.0	-43.94	384.35	5.22	-38.72
CCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019933453	1	51	-1.0	-43.92	384.51	5.21	-38.71
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019933453	1	52	0.0	-11.69	388.66	5.17	-6.52
O=C(CCC1CC1(Cl)Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933454	0	35	-1.0	-43.23	314.16	5.50	-37.73
O=C(CCC1CC1(Cl)Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933454	1	35	-1.0	-43.25	314.33	5.51	-37.74
O=C(CCC1CC1(Cl)Cl)N1CCN(C2=NNN=N2)CC1	REAL300019933454	1	36	0.0	-12.83	318.44	5.46	-7.37
O=C(C(CC1COCCO1)C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933455	0	43	-1.0	-41.03	340.51	2.66	-38.37
O=C(C(CC1COCCO1)C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933455	1	43	-1.0	-41.04	340.68	2.65	-38.39
O=C(C(CC1COCCO1)C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933455	1	44	0.0	-12.89	345.98	3.11	-9.78
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933456	0	42	-1.0	-40.58	349.50	5.13	-35.45
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933456	1	42	-1.0	-40.58	349.67	5.13	-35.45
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCN(C2=NNN=N2)CC1	REAL300019933456	1	43	0.0	-13.96	355.03	5.16	-8.80
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933457	0	45	-1.0	-42.37	350.10	3.24	-39.13
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933457	1	45	-1.0	-42.42	350.27	3.23	-39.19
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933457	1	46	0.0	-12.32	355.35	3.25	-9.07
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933458	0	52	-1.0	-49.18	397.66	5.23	-43.95
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933458	1	52	-1.0	-49.08	397.82	5.22	-43.86
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933458	1	53	0.0	-18.09	402.06	5.17	-12.92
O=C(CC1=CC=C(Br)C=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933459	0	35	-1.0	-42.22	314.73	5.78	-36.44
O=C(CC1=CC=C(Br)C=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933459	1	35	-1.0	-42.13	314.90	5.77	-36.36
O=C(CC1=CC=C(Br)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019933459	1	36	0.0	-13.30	319.00	5.73	-7.57
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933460	0	38	-1.0	-50.53	322.06	4.06	-46.47
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933460	1	38	-1.0	-50.50	322.23	4.05	-46.45
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019933460	1	39	0.0	-18.16	326.33	4.01	-14.15
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(N2C=NN=N2)CCOCC1	REAL300019933461	0	41	-1.0	-39.79	315.07	2.22	-37.57
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(N2C=NN=N2)CCOCC1	REAL300019933461	1	41	-1.0	-39.73	315.24	2.22	-37.51
O=C(N1CCN(C2=NNN=N2)CC1)C1(N2C=NN=N2)CCOCC1	REAL300019933461	1	42	0.0	-10.44	319.33	2.17	-8.27
CC(C)N(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300019933462	0	51	-1.0	-47.73	385.41	5.43	-42.30
CC(C)N(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300019933462	1	51	-1.0	-47.69	385.58	5.43	-42.26
CC(C)N(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019933462	1	52	0.0	-14.83	389.70	5.39	-9.44
CC(=O)C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1OC(C)C	REAL300019933463	0	47	-1.0	-45.01	371.14	6.63	-38.38
CC(=O)C1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1OC(C)C	REAL300019933463	1	47	-1.0	-44.97	371.30	6.62	-38.35
CC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(C)C	REAL300019933463	1	48	0.0	-15.76	372.85	6.50	-9.26
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019933464	0	51	0.0	-66.20	367.56	4.85	-61.35
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019933464	1	51	0.0	-67.71	374.43	5.38	-62.33
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019933464	1	52	1.0	-45.46	371.07	4.90	-40.56
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019933464	1	52	1.0	-44.99	379.91	5.36	-39.63
CC(C)[N@@H+]1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	0	57	0.0	-68.03	424.03	6.76	-61.27
CC(C)[N@H+]1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	1	57	0.0	-69.27	416.94	6.24	-63.03
CC(C)[N@@H+]1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	1	57	0.0	-68.01	424.19	6.75	-61.26
CC(C)[N@H+]1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	1	57	0.0	-69.25	417.10	6.23	-63.02
CC(C)[N@@H+]1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	1	58	1.0	-49.63	428.30	6.70	-42.93
CC(C)[N@H+]1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	1	58	1.0	-41.24	403.89	6.03	-35.21
NC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1CC1=CC=CC=C1	REAL300019933466	0	44	-1.0	-43.54	358.53	4.66	-38.88
NC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1CC1=CC=CC=C1	REAL300019933466	1	44	-1.0	-43.53	358.70	4.65	-38.88
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CC1=CC=CC=C1	REAL300019933466	1	45	0.0	-12.29	364.10	4.59	-7.70
O=C(C1=C2CCCCN2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933467	0	40	-1.0	-44.30	312.38	5.44	-38.86
O=C(C1=C2CCCCN2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933467	1	40	-1.0	-44.29	312.54	5.43	-38.86
O=C(C1=C2CCCCN2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933467	1	41	0.0	-12.40	316.71	5.38	-7.02
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300019933468	0	45	-1.0	-46.44	363.71	7.30	-39.14
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300019933468	1	45	-1.0	-46.40	363.88	7.30	-39.10
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)=N1	REAL300019933468	1	46	0.0	-15.86	367.98	7.25	-8.61
CCNC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL300019933469	0	36	-1.0	-41.84	306.24	2.04	-39.80
CCNC1=NC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL300019933469	1	36	-1.0	-41.83	306.40	2.03	-39.80
CCNC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019933469	1	37	0.0	-11.52	310.46	1.98	-9.54
O=C(N1CCN(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019933470	0	35	-1.0	-37.90	316.57	5.68	-32.22
O=C(N1CCN(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019933470	1	35	-1.0	-37.85	316.73	5.67	-32.18
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019933470	1	36	0.0	-7.99	320.84	5.63	-2.36
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933471	0	42	-1.0	-41.08	333.19	6.94	-34.14
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933471	1	42	-1.0	-41.04	333.35	6.94	-34.10
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933471	1	43	0.0	-11.12	337.47	6.90	-4.22
O=C(C1CC2=CC=CC=C2CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933472	0	40	-1.0	-42.94	316.22	5.41	-37.53
O=C(C1CC2=CC=CC=C2CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933472	1	40	-1.0	-42.92	316.39	5.40	-37.52
O=C(C1CC2=CC=CC=C2CO1)N1CCN(C2=NNN=N2)CC1	REAL300019933472	1	41	0.0	-13.24	320.49	5.36	-7.88
COC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300019933473	0	45	-1.0	-40.92	336.52	5.20	-35.72
COC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300019933473	1	45	-1.0	-40.90	336.69	5.20	-35.70
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCC1	REAL300019933473	1	46	0.0	-12.31	341.49	5.19	-7.12
CC1CC2=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300019933474	0	40	-1.0	-41.71	320.65	4.73	-36.98
CC1CC2=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300019933474	1	40	-1.0	-41.71	320.81	4.72	-36.99
CC1CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2O1	REAL300019933474	1	41	0.0	-11.33	324.92	4.67	-6.66
O=C(C1CC2(C1)CCCCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933475	0	45	-1.0	-40.42	333.47	6.24	-34.18
O=C(C1CC2(C1)CCCCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933475	1	45	-1.0	-40.39	333.64	6.24	-34.15
O=C(C1CC2(C1)CCCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019933475	1	46	0.0	-10.19	337.74	6.20	-3.99
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933476	0	38	-1.0	-42.18	325.51	6.86	-35.32
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933476	1	38	-1.0	-42.17	325.68	6.85	-35.32
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933476	1	39	0.0	-10.56	328.47	6.77	-3.79
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933477	0	38	-1.0	-57.48	336.11	5.86	-51.62
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933477	1	38	-1.0	-57.49	336.28	5.86	-51.63
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCN(C2=NNN=N2)CC1	REAL300019933477	1	39	0.0	-23.00	340.39	5.81	-17.19
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)N1C1=CN(C)N=C1	REAL300019933478	0	46	-1.0	-45.82	373.98	5.92	-39.90
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)N1C1=CN(C)N=C1	REAL300019933478	1	46	-1.0	-45.77	374.14	5.91	-39.86
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1=CN(C)N=C1	REAL300019933478	1	47	0.0	-14.72	378.25	5.87	-8.85
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL300019933479	0	41	-1.0	-44.70	359.39	5.49	-39.21
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL300019933479	1	41	-1.0	-44.63	359.55	5.48	-39.15
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019933479	1	42	0.0	-14.58	363.61	5.41	-9.17
COCC1=CSC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933480	0	36	-1.0	-42.23	307.67	2.76	-39.47
COCC1=CSC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933480	1	36	-1.0	-42.21	307.83	2.75	-39.46
COCC1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933480	1	37	0.0	-11.68	311.94	2.71	-8.97
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933481	0	45	0.0	-61.01	350.90	5.28	-55.73
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O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933482	1	47	0.0	-14.48	378.49	4.78	-9.70
NC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(Br)=N1	REAL300019933483	0	33	-1.0	-40.15	293.17	1.51	-38.64
NC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(Br)=N1	REAL300019933483	1	33	-1.0	-40.14	293.33	1.51	-38.63
NC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(Br)=N1	REAL300019933483	1	34	0.0	-10.38	298.48	1.50	-8.88
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CC1=CN2C=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CC2=N1	REAL300019933485	0	38	-1.0	-44.24	316.51	5.42	-38.82
CC1=CN2C=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CC2=N1	REAL300019933485	1	38	-1.0	-44.22	316.68	5.42	-38.80
CC1=CN2C=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=N1	REAL300019933485	1	39	0.0	-14.95	320.70	5.37	-9.58
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933486	0	46	-1.0	-44.27	375.83	8.47	-35.80
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933486	1	46	-1.0	-44.26	376.00	8.46	-35.80
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933486	1	47	0.0	-19.66	383.22	8.59	-11.07
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CNC2=C1	REAL300019933487	0	46	-1.0	-63.58	375.54	3.92	-59.66
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CNC2=C1	REAL300019933487	1	46	-1.0	-63.56	375.71	3.91	-59.65
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCN(C4=NNN=N4)CC3)=CNC2=C1	REAL300019933487	1	47	0.0	-18.73	372.09	3.67	-15.06
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933488	0	40	-1.0	-49.82	327.91	2.89	-46.93
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933488	1	40	-1.0	-49.80	328.07	2.88	-46.92
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933488	1	41	0.0	-18.91	332.18	2.84	-16.07
CNC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1F	REAL300019933489	0	37	-1.0	-43.47	303.17	2.97	-40.50
CNC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1F	REAL300019933489	1	37	-1.0	-43.44	303.33	2.96	-40.48
CNC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019933489	1	38	0.0	-12.69	307.44	2.91	-9.78
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019933490	0	55	-1.0	-48.65	413.44	4.07	-44.58
CC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019933490	1	55	-1.0	-48.62	413.61	4.06	-44.56
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019933490	1	56	0.0	-21.31	425.06	2.32	-18.99
O=C(C1CCC2C(C1)C2(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933491	0	39	-1.0	-42.50	301.81	5.05	-37.45
O=C(C1CCC2C(C1)C2(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933491	1	39	-1.0	-42.40	301.98	5.04	-37.36
O=C(C1CCC2C(C1)C2(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933491	1	40	0.0	-14.01	306.08	5.00	-9.01
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933492	0	43	-1.0	-50.70	344.14	0.96	-49.74
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933492	1	43	-1.0	-50.65	344.30	0.95	-49.70
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933492	1	44	0.0	-21.11	347.83	0.89	-20.22
COC1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1OC(F)F	REAL300019933493	0	43	-1.0	-48.88	356.48	4.59	-44.29
COC1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1OC(F)F	REAL300019933493	1	43	-1.0	-48.85	356.65	4.59	-44.26
COC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC(F)F	REAL300019933493	1	44	0.0	-17.77	360.80	4.56	-13.21
CC1=CC=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1Br	REAL300019933494	0	38	-1.0	-43.53	324.42	6.20	-37.33
CC1=CC=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1Br	REAL300019933494	1	38	-1.0	-43.49	324.59	6.20	-37.29
CC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019933494	1	39	0.0	-11.79	328.66	6.14	-5.65
O=C(C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1)N1CCOCC1	REAL300019933495	0	47	-1.0	-46.93	366.96	3.50	-43.43
O=C(C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1)N1CCOCC1	REAL300019933495	1	47	-1.0	-46.83	367.13	3.49	-43.34
O=C(C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1)N1CCOCC1	REAL300019933495	1	48	0.0	-17.48	371.23	3.45	-14.03
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933496	0	41	-1.0	-52.24	340.50	4.51	-47.73
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933496	1	41	-1.0	-52.17	340.67	4.50	-47.67
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933496	1	42	0.0	-19.37	345.51	4.49	-14.88
CC1=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=NC=C1Cl	REAL300019933497	0	37	-1.0	-44.77	317.25	4.61	-40.16
CC1=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=NC=C1Cl	REAL300019933497	1	37	-1.0	-44.72	317.41	4.61	-40.11
CC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=NC=C1Cl	REAL300019933497	1	38	0.0	-15.56	321.52	4.56	-11.00
NC1=C(Cl)C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300019933498	0	34	-1.0	-39.60	307.30	3.13	-36.47
NC1=C(Cl)C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300019933498	1	34	-1.0	-39.56	307.46	3.13	-36.43
NC1=C(Cl)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019933498	1	35	0.0	-9.53	311.58	3.08	-6.45
CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCC(F)(F)CC1	REAL300019933499	0	44	-1.0	-40.26	319.59	5.07	-35.19
CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCC(F)(F)CC1	REAL300019933499	1	44	-1.0	-40.21	319.75	5.06	-35.15
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC(F)(F)CC1	REAL300019933499	1	45	0.0	-11.03	323.58	5.00	-6.03
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933500	0	35	-1.0	-38.09	310.15	2.97	-35.12
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933500	1	35	-1.0	-38.03	310.32	2.97	-35.06
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933500	1	36	0.0	-10.99	314.48	2.93	-8.06
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933501	0	44	-1.0	-41.26	329.40	4.60	-36.66
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933501	1	44	-1.0	-41.26	329.54	4.60	-36.66
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933501	1	45	0.0	-11.61	333.02	4.93	-6.68
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C(F)(F)F)CCOCC1	REAL300019933502	0	39	-1.0	-37.45	295.88	2.26	-35.19
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C(F)(F)F)CCOCC1	REAL300019933502	1	39	-1.0	-37.38	296.05	2.26	-35.12
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CCOCC1	REAL300019933502	1	40	0.0	-8.68	300.16	2.22	-6.46
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933503	0	35	-1.0	-40.66	317.58	5.59	-35.07
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933503	1	35	-1.0	-40.62	317.75	5.58	-35.04
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019933503	1	36	0.0	-9.96	318.21	5.48	-4.48
CSCC[C@H](NC(N)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933504	0	41	-1.0	-54.67	335.28	0.68	-53.99
CSCC[C@H](NC(N)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933504	1	41	-1.0	-54.66	335.44	0.68	-53.98
CSCC[C@H](NC(N)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933504	1	42	0.0	-22.15	339.54	0.63	-21.52
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019933505	0	45	-1.0	-40.15	347.06	7.42	-32.73
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019933505	1	45	-1.0	-40.08	347.22	7.42	-32.66
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019933505	1	46	0.0	-9.52	351.27	7.38	-2.14
CCCCCCCCCCCCC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933506	0	67	-1.0	-40.51	487.67	11.11	-29.40
CCCCCCCCCCCCC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933506	1	67	-1.0	-40.52	487.84	11.10	-29.42
CCCCCCCCCCCCC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933506	1	68	0.0	-10.39	491.73	11.04	0.65
CCN1C(=O)NC2=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CC=C21	REAL300019933507	0	42	-1.0	-46.62	343.44	3.91	-42.71
CCN1C(=O)NC2=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CC=C21	REAL300019933507	1	42	-1.0	-46.61	343.60	3.90	-42.71
CCN1C(=O)NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019933507	1	43	0.0	-15.33	347.67	3.86	-11.47
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933508	0	43	-1.0	-45.75	348.47	4.56	-41.19
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933508	1	43	-1.0	-45.70	348.63	4.56	-41.14
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933508	1	44	0.0	-16.46	352.74	4.51	-11.95
CC1(C)CCCC(O)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933509	0	45	-1.0	-39.01	320.28	2.94	-36.07
CC1(C)CCCC(O)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933509	1	45	-1.0	-39.01	320.45	2.94	-36.07
CC1(C)CCCC(O)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933509	1	46	0.0	-8.24	328.83	2.85	-5.39
COC(=O)N1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019933510	0	43	-1.0	-46.97	337.19	3.22	-43.75
COC(=O)N1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019933510	1	43	-1.0	-46.93	337.36	3.21	-43.72
COC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933510	1	44	0.0	-17.89	341.47	3.17	-14.72
O=C(CCC1=CC=CN=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933511	0	37	-1.0	-45.04	317.10	4.46	-40.58
O=C(CCC1=CC=CN=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933511	1	37	-1.0	-45.00	317.26	4.45	-40.55
O=C(CCC1=CC=CN=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019933511	1	38	0.0	-13.11	321.36	4.40	-8.71
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933512	0	55	-1.0	-47.25	406.84	6.31	-40.94
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933512	1	55	-1.0	-47.19	407.01	6.30	-40.89
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933512	1	56	0.0	-17.66	411.41	6.24	-11.42
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933513	0	44	-1.0	-45.83	375.97	6.27	-39.56
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933513	1	44	-1.0	-45.77	376.13	6.26	-39.51
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933513	1	45	0.0	-15.92	380.08	6.21	-9.71
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933514	0	55	-1.0	-41.59	425.39	2.69	-38.90
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933514	1	55	-1.0	-41.58	425.55	2.68	-38.90
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933514	1	56	0.0	-11.68	429.66	2.63	-9.05
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=N1	REAL300019933515	0	51	-1.0	-50.95	409.20	1.60	-49.35
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=N1	REAL300019933515	1	51	-1.0	-50.94	409.37	1.60	-49.34
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019933515	1	52	0.0	-16.98	413.47	1.56	-15.42
CN1C(=O)CO[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)[C@H]1C1=CC=CN=C1	REAL300019933516	0	46	-1.0	-40.61	356.24	2.17	-38.44
CN1C(=O)CO[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)[C@H]1C1=CC=CN=C1	REAL300019933516	1	46	-1.0	-40.56	356.41	2.16	-38.40
CN1C(=O)CO[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)[C@H]1C1=CC=CN=C1	REAL300019933516	1	47	0.0	-12.96	357.71	2.07	-10.89
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933517	0	47	-1.0	-42.32	356.85	5.01	-37.31
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933517	1	47	-1.0	-42.27	357.02	5.00	-37.27
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933517	1	48	0.0	-13.05	360.58	5.15	-7.90
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1(C)C	REAL300019933518	0	50	-1.0	-42.98	379.76	6.33	-36.65
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1(C)C	REAL300019933518	1	50	-1.0	-42.95	379.92	6.32	-36.63
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1(C)C	REAL300019933518	1	51	0.0	-12.65	384.03	6.28	-6.37
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCCC1	REAL300019933519	0	53	-1.0	-41.74	397.16	7.24	-34.50
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CCCC1	REAL300019933519	1	53	-1.0	-41.68	397.33	7.24	-34.44
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCC1	REAL300019933519	1	54	0.0	-11.82	400.15	7.19	-4.63
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL300019933520	0	39	-1.0	-51.26	342.69	1.39	-49.87
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL300019933520	1	39	-1.0	-51.22	342.86	1.39	-49.83
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019933520	1	40	0.0	-19.10	346.96	1.34	-17.76
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933521	0	42	-1.0	-46.60	349.34	5.86	-40.74
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933521	1	42	-1.0	-46.58	349.51	5.85	-40.73
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933521	1	43	0.0	-14.55	347.94	5.71	-8.84
O=C(C1=CC(Br)=CNC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933522	0	32	-1.0	-52.59	293.18	1.78	-50.81
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CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1OC(F)(F)F	REAL300019933592	1	39	-1.0	-39.69	329.02	4.61	-35.08
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(F)(F)F	REAL300019933592	1	40	0.0	-9.71	333.12	4.57	-5.14
O=C(C1COC2=CC(F)=CC=C2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933593	0	40	-1.0	-40.33	324.18	4.90	-35.43
O=C(C1COC2=CC(F)=CC=C2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933593	1	40	-1.0	-40.26	324.35	4.90	-35.36
O=C(C1COC2=CC(F)=CC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019933593	1	41	0.0	-10.63	328.47	4.85	-5.78
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C(S(C)(=O)=O)O1	REAL300019933594	0	38	-1.0	-48.99	328.92	0.59	-48.40
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C(S(C)(=O)=O)O1	REAL300019933594	1	38	-1.0	-48.95	329.09	0.58	-48.37
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(S(C)(=O)=O)O1	REAL300019933594	1	39	0.0	-17.39	333.19	0.54	-16.85
CC1=CC=CC=C1COC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933595	0	45	-1.0	-44.92	353.98	6.65	-38.27
CC1=CC=CC=C1COC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933595	1	45	-1.0	-44.85	354.15	6.65	-38.20
CC1=CC=CC=C1COC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933595	1	46	0.0	-15.64	359.01	6.62	-9.02
CSC1=CC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL300019933596	0	36	-1.0	-39.59	306.21	4.32	-35.27
CSC1=CC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL300019933596	1	36	-1.0	-39.56	306.38	4.31	-35.25
CSC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019933596	1	37	0.0	-8.89	310.45	4.28	-4.61
COC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC2(CCC2)C1	REAL300019933597	0	45	-1.0	-38.95	350.62	5.47	-33.48
COC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC2(CCC2)C1	REAL300019933597	1	45	-1.0	-38.89	350.79	5.47	-33.42
COC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2(CCC2)C1	REAL300019933597	1	46	0.0	-9.23	354.62	5.42	-3.81
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933598	0	41	-1.0	-40.87	321.44	5.32	-35.55
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933598	1	41	-1.0	-40.85	321.60	5.31	-35.54
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933598	1	42	0.0	-10.78	325.59	5.28	-5.50
CC(C)C1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933599	0	41	-1.0	-42.09	322.90	5.97	-36.12
CC(C)C1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933599	1	41	-1.0	-42.03	323.07	5.97	-36.06
CC(C)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933599	1	42	0.0	-10.81	328.06	5.96	-4.85
O=C(C1=CSC(C(F)(F)F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933600	0	32	-1.0	-39.69	292.69	4.18	-35.51
O=C(C1=CSC(C(F)(F)F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933600	1	32	-1.0	-39.63	292.86	4.18	-35.45
O=C(C1=CSC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933600	1	33	0.0	-11.92	298.04	4.23	-7.69
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933601	0	45	-1.0	-41.13	347.99	7.41	-33.72
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933601	1	45	-1.0	-41.09	348.16	7.40	-33.69
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019933601	1	46	0.0	-11.70	352.66	7.35	-4.35
COCCCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019933602	0	42	-1.0	-45.46	341.93	2.50	-42.96
COCCCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL300019933602	1	42	-1.0	-45.48	342.09	2.49	-42.99
COCCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019933602	1	43	0.0	-13.88	346.19	2.44	-11.44
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NN1C1CCOCC1	REAL300019933603	0	46	-1.0	-46.36	359.70	3.98	-42.38
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NN1C1CCOCC1	REAL300019933603	1	46	-1.0	-46.34	359.87	3.98	-42.36
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1CCOCC1	REAL300019933603	1	47	0.0	-12.69	364.31	3.96	-8.73
CN1C=C(N2CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)CC2=O)C=N1	REAL300019933604	0	43	-1.0	-46.78	345.33	3.02	-43.76
CN1C=C(N2CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)CC2=O)C=N1	REAL300019933604	1	43	-1.0	-46.75	345.50	3.02	-43.73
CN1C=C(N2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=O)C=N1	REAL300019933604	1	44	0.0	-17.41	349.60	2.98	-14.43
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=NC=C1	REAL300019933605	0	40	-1.0	-42.21	318.12	4.60	-37.61
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=NC=C1	REAL300019933605	1	40	-1.0	-42.18	318.29	4.60	-37.58
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=NC=C1	REAL300019933605	1	41	0.0	-11.77	322.40	4.56	-7.21
O=C(C1=C2C=CSC2=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933606	0	34	-1.0	-41.95	295.76	3.61	-38.34
O=C(C1=C2C=CSC2=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933606	1	34	-1.0	-41.94	295.93	3.60	-38.34
O=C(C1=C2C=CSC2=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933606	1	35	0.0	-10.97	300.03	3.56	-7.41
CCOC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCOCC1	REAL300019933607	0	43	-1.0	-39.00	317.69	1.88	-37.12
CCOC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCOCC1	REAL300019933607	1	43	-1.0	-38.97	317.85	1.87	-37.10
CCOC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019933607	1	44	0.0	-8.60	321.96	1.83	-6.77
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933608	0	39	-1.0	-44.56	343.66	6.41	-38.15
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933608	1	39	-1.0	-44.55	343.83	6.40	-38.15
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933608	1	40	0.0	-16.12	347.84	6.37	-9.75
COC1=CC=C(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300019933609	0	42	-1.0	-43.39	356.06	5.69	-37.70
COC1=CC=C(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300019933609	1	42	-1.0	-43.33	356.23	5.69	-37.64
COC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019933609	1	43	0.0	-12.12	360.35	5.64	-6.48
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933610	0	41	-1.0	-55.04	341.25	4.51	-50.53
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933610	1	41	-1.0	-55.01	341.41	4.51	-50.50
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933610	1	42	0.0	-20.40	345.51	4.47	-15.93
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933611	0	38	-1.0	-40.11	339.45	6.48	-33.63
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933611	1	38	-1.0	-40.06	339.62	6.47	-33.59
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019933611	1	39	0.0	-10.22	343.72	6.42	-3.80
O=C(C1=C(Br)N=C2COCCN21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933612	0	37	-1.0	-43.91	324.15	2.42	-41.49
O=C(C1=C(Br)N=C2COCCN21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933612	1	37	-1.0	-43.90	324.32	2.43	-41.47
O=C(C1=C(Br)N=C2COCCN21)N1CCN(C2=NNN=N2)CC1	REAL300019933612	1	38	0.0	-13.19	328.46	2.39	-10.80
CC1=CC=CC=C1COCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933613	0	42	-1.0	-45.88	338.66	6.23	-39.65
CC1=CC=CC=C1COCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933613	1	42	-1.0	-45.84	338.83	6.22	-39.62
CC1=CC=CC=C1COCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933613	1	43	0.0	-15.90	342.94	6.17	-9.73
CC1=CC=CC(COCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933614	0	42	-1.0	-45.55	343.89	6.21	-39.34
CC1=CC=CC(COCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933614	1	42	-1.0	-45.48	344.06	6.20	-39.28
CC1=CC=CC(COCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933614	1	43	0.0	-15.78	348.16	6.15	-9.63
O=C(C1=C2SC=CC2=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933615	0	34	-1.0	-45.02	294.95	4.40	-40.62
O=C(C1=C2SC=CC2=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933615	1	34	-1.0	-44.93	295.12	4.39	-40.54
O=C(C1=C2SC=CC2=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933615	1	35	0.0	-12.74	299.23	4.34	-8.40
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933616	0	43	-1.0	-50.20	351.30	5.29	-44.91
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933616	1	43	-1.0	-50.18	351.47	5.29	-44.89
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019933616	1	44	0.0	-20.14	355.57	5.24	-14.90
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933617	0	41	-1.0	-53.40	318.15	3.51	-49.89
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933617	1	41	-1.0	-53.34	318.32	3.51	-49.83
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCN(C2=NNN=N2)CC1	REAL300019933617	1	42	0.0	-22.60	322.42	3.47	-19.13
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019933618	0	38	-2.0	-87.43	330.41	0.03	-87.40
CS(=O)(=O)NC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019933618	1	39	-1.0	-48.06	330.48	0.17	-47.89
O=C(CN1C=CC(C(F)F)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933619	0	35	-1.0	-50.52	302.85	3.34	-47.18
O=C(CN1C=CC(C(F)F)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933619	1	35	-1.0	-50.50	303.02	3.33	-47.17
O=C(CN1C=CC(C(F)F)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933619	1	36	0.0	-21.89	307.12	3.29	-18.60
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933620	0	38	-1.0	-45.87	318.20	3.41	-42.46
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933620	1	38	-1.0	-45.82	318.37	3.40	-42.42
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933620	1	39	0.0	-16.93	322.48	3.36	-13.57
CC1=CN2C=CN=C2C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933621	0	38	-1.0	-52.94	315.99	5.52	-47.42
CC1=CN2C=CN=C2C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933621	1	38	-1.0	-52.90	316.16	5.51	-47.39
CC1=CN2C=CN=C2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933621	1	39	0.0	-19.16	320.26	5.47	-13.69
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933622	0	35	-1.0	-40.53	316.43	4.17	-36.36
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933622	1	35	-1.0	-40.51	316.59	4.17	-36.34
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933622	1	36	0.0	-13.41	322.62	4.30	-9.11
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933623	0	43	-1.0	-42.25	341.01	3.33	-38.92
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933623	1	43	-1.0	-42.22	341.18	3.32	-38.90
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933623	1	44	0.0	-10.17	345.39	3.32	-6.85
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933624	0	38	-1.0	-45.26	349.76	6.27	-38.99
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933624	1	38	-1.0	-45.22	349.93	6.26	-38.96
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933624	1	39	0.0	-11.27	354.04	6.21	-5.06
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933625	0	49	-1.0	-46.78	379.78	3.12	-43.66
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933625	1	49	-1.0	-46.73	379.95	3.11	-43.62
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933625	1	50	0.0	-16.76	384.04	3.06	-13.70
CC1=CC=C(COCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019933626	0	42	-1.0	-45.42	343.86	6.19	-39.23
CC1=CC=C(COCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019933626	1	42	-1.0	-45.41	344.02	6.19	-39.22
CC1=CC=C(COCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933626	1	43	0.0	-15.73	348.17	6.16	-9.57
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933627	0	35	-1.0	-41.08	305.01	3.28	-37.80
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CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933632	1	60	0.0	-70.11	446.45	9.80	-60.31
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CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933632	1	61	1.0	-49.73	450.72	9.74	-39.99
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COC1=CC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(OC)=C1O	REAL300019933633	1	47	-1.0	-45.26	379.01	2.92	-42.34
COC1=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1O	REAL300019933633	1	48	0.0	-15.66	383.13	2.88	-12.78
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COC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C	REAL300019933635	0	39	-1.0	-43.34	309.36	4.12	-39.22
COC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C	REAL300019933635	1	39	-1.0	-43.31	309.53	4.11	-39.20
COC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019933635	1	40	0.0	-12.01	314.81	4.09	-7.92
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CCC1=CNC(=O)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933637	0	38	-1.0	-50.00	308.82	2.52	-47.48
CCC1=CNC(=O)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933637	1	38	-1.0	-49.92	308.99	2.51	-47.41
CCC1=CNC(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933637	1	39	0.0	-22.32	319.27	2.53	-19.79
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CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933639	1	58	1.0	-49.21	433.89	9.27	-39.94
CC1=CC(F)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300019933640	0	35	-1.0	-44.42	301.49	5.02	-39.40
CC1=CC(F)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300019933640	1	35	-1.0	-44.35	301.66	5.02	-39.33
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COC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1OC(C)C	REAL300019933644	0	46	-1.0	-46.30	358.96	5.60	-40.70
COC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1OC(C)C	REAL300019933644	1	46	-1.0	-46.27	359.13	5.59	-40.68
COC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1OC(C)C	REAL300019933644	1	47	0.0	-13.70	365.10	5.40	-8.30
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CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCN(C4=NN=N[N-]4)CC3)[C@@H]2C1	REAL300019933651	0	53	-1.0	-43.68	401.96	5.53	-38.15
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCN(C4=N[N-]N=N4)CC3)[C@@H]2C1	REAL300019933651	1	53	-1.0	-43.60	402.12	5.52	-38.08
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCN(C4=NNN=N4)CC3)[C@@H]2C1	REAL300019933651	1	54	0.0	-14.97	406.23	5.47	-9.50
COC(=O)C=CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL300019933652	0	39	-1.0	-41.98	334.92	4.55	-37.43
COC(=O)C=CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL300019933652	1	39	-1.0	-41.96	335.09	4.54	-37.42
COC(=O)C=CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019933652	1	40	0.0	-11.50	339.19	4.50	-7.00
CC(C)(C)C1=CC=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019933653	0	48	-1.0	-41.32	372.90	7.93	-33.39
CC(C)(C)C1=CC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019933653	1	48	-1.0	-41.28	373.07	7.92	-33.36
CC(C)(C)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933653	1	49	0.0	-11.11	377.21	7.87	-3.24
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CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933655	0	58	-1.0	-44.95	433.25	6.78	-38.17
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933655	1	58	-1.0	-44.90	433.42	6.77	-38.13
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933655	1	59	0.0	-12.65	437.51	6.72	-5.93
CCN1N=CC(Cl)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933656	0	35	-1.0	-40.71	308.14	3.33	-37.38
CCN1N=CC(Cl)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933656	1	35	-1.0	-40.65	308.31	3.33	-37.32
CCN1N=CC(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933656	1	36	0.0	-10.87	312.41	3.29	-7.58
COC(=O)C1=C(C)C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL300019933657	0	38	-1.0	-39.63	319.57	3.88	-35.75
COC(=O)C1=C(C)C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL300019933657	1	38	-1.0	-39.63	319.73	3.87	-35.76
COC(=O)C1=C(C)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019933657	1	39	0.0	-9.55	323.84	3.83	-5.72
COC(=O)C1=CN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)N=C1	REAL300019933658	0	38	-1.0	-50.23	324.94	3.17	-47.06
COC(=O)C1=CN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1	REAL300019933658	1	38	-1.0	-50.16	325.11	3.18	-46.98
COC(=O)C1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019933658	1	39	0.0	-20.61	329.21	3.13	-17.48
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933659	0	57	-1.0	-39.07	425.43	4.44	-34.63
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933659	1	57	-1.0	-39.09	425.60	4.43	-34.66
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933659	1	58	0.0	-9.70	429.70	4.39	-5.31
C[C@@H](CC(=O)N1CCN(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300019933660	0	48	-1.0	-47.31	373.87	3.19	-44.12
C[C@@H](CC(=O)N1CCN(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300019933660	1	48	-1.0	-47.31	374.04	3.18	-44.13
C[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019933660	1	49	0.0	-18.06	378.10	3.12	-14.94
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933661	0	50	-1.0	-44.01	384.48	3.48	-40.53
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933661	1	50	-1.0	-43.90	384.65	3.48	-40.42
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933661	1	51	0.0	-14.66	388.74	3.44	-11.22
CN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C2=CC=CO2)=N1	REAL300019933662	0	39	-1.0	-50.79	330.41	3.63	-47.16
CN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C2=CC=CO2)=N1	REAL300019933662	1	39	-1.0	-50.74	330.58	3.62	-47.12
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CO2)=N1	REAL300019933662	1	40	0.0	-19.86	330.93	4.43	-15.43
NC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL300019933663	0	37	-1.0	-44.16	319.37	0.67	-43.49
NC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL300019933663	1	37	-1.0	-44.18	319.54	0.67	-43.51
NC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019933663	1	38	0.0	-14.75	323.65	0.62	-14.13
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)OC(S(N)(=O)=O)=C1	REAL300019933664	0	37	-1.0	-44.51	318.82	-1.98	-46.49
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)OC(S(N)(=O)=O)=C1	REAL300019933664	1	37	-1.0	-44.44	318.98	-1.99	-46.43
CSC1=CC=C(O)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933665	0	37	-1.0	-43.17	314.36	2.58	-40.59
CSC1=CC=C(O)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933665	1	37	-1.0	-43.15	314.53	2.58	-40.57
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933666	0	56	-1.0	-48.36	415.82	4.56	-43.80
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933666	1	56	-1.0	-48.32	415.99	4.55	-43.77
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933666	1	57	0.0	-17.38	420.09	4.50	-12.88
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933667	0	50	-1.0	-47.66	382.12	5.30	-42.36
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933667	1	50	-1.0	-47.57	382.29	5.30	-42.27
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933667	1	51	0.0	-14.70	386.32	5.26	-9.44
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL300019933668	0	42	-1.0	-51.46	352.32	4.45	-47.01
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL300019933668	1	42	-1.0	-51.40	352.49	4.45	-46.95
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019933668	1	43	0.0	-19.95	356.59	4.40	-15.55
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019933669	0	51	-1.0	-38.81	346.44	7.93	-30.88
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019933669	1	51	-1.0	-38.77	346.61	7.93	-30.84
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019933669	1	52	0.0	-7.75	350.71	7.88	0.13
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933670	0	36	-1.0	-42.45	309.03	2.66	-39.79
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933670	1	36	-1.0	-42.42	309.20	2.66	-39.76
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933670	1	37	0.0	-10.57	313.72	2.66	-7.91
CC1=CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)N1C1=CC=CC=C1	REAL300019933671	0	49	-1.0	-45.52	394.50	9.11	-36.41
CC1=CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)N1C1=CC=CC=C1	REAL300019933671	1	49	-1.0	-45.46	394.66	9.10	-36.36
CC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1=CC=CC=C1	REAL300019933671	1	50	0.0	-14.54	398.19	9.03	-5.51
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCN(C5=NN=N[N-]5)CC4)=CC=C32)=C1	REAL300019933672	0	48	-1.0	-47.09	390.83	9.36	-37.73
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCN(C5=N[N-]N=N5)CC4)=CC=C32)=C1	REAL300019933672	1	48	-1.0	-47.00	390.99	9.35	-37.65
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCN(C5=NNN=N5)CC4)=CC=C32)=C1	REAL300019933672	1	49	0.0	-15.80	395.10	9.30	-6.50
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C21	REAL300019933673	0	40	-1.0	-38.85	339.08	3.53	-35.32
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C21	REAL300019933673	1	40	-1.0	-38.89	339.24	3.53	-35.36
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C21	REAL300019933673	1	41	0.0	-10.56	343.43	3.48	-7.08
O=C(C1CCC2=CC(F)=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933674	0	39	-1.0	-42.20	316.98	6.13	-36.07
O=C(C1CCC2=CC(F)=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933674	1	39	-1.0	-42.17	317.14	6.13	-36.04
O=C(C1CCC2=CC(F)=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933674	1	40	0.0	-13.26	321.30	6.09	-7.17
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1C	REAL300019933675	0	45	-1.0	-41.52	353.81	7.63	-33.89
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1C	REAL300019933675	1	45	-1.0	-41.50	353.97	7.63	-33.87
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019933675	1	46	0.0	-11.11	358.06	7.58	-3.53
CCOCCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019933676	0	42	-1.0	-42.77	342.28	2.68	-40.09
CCOCCN1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL300019933676	1	42	-1.0	-42.74	342.45	2.67	-40.07
CCOCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019933676	1	43	0.0	-12.16	346.54	2.63	-9.53
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933677	0	43	-1.0	-39.71	353.04	5.77	-33.94
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933677	1	43	-1.0	-39.72	353.21	5.76	-33.96
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933677	1	44	0.0	-10.80	357.25	5.74	-5.06
O=C(C1=C(C(F)(F)F)SC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933678	0	32	-1.0	-41.48	291.50	4.19	-37.29
O=C(C1=C(C(F)(F)F)SC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933678	1	32	-1.0	-41.44	291.66	4.19	-37.25
O=C(C1=C(C(F)(F)F)SC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933678	1	33	0.0	-13.21	295.77	4.14	-9.07
CC1=NN(C2CCOCC2)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933679	0	46	-1.0	-41.15	357.18	3.48	-37.67
CC1=NN(C2CCOCC2)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933679	1	46	-1.0	-41.13	357.35	3.47	-37.66
CC1=NN(C2CCOCC2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933679	1	47	0.0	-11.73	361.45	3.42	-8.31
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933680	0	51	-1.0	-37.55	381.15	1.55	-36.00
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933680	1	51	-1.0	-37.49	381.32	1.55	-35.94
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933680	1	52	0.0	-14.48	385.44	1.51	-12.97
CN1N=C(Cl)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1Cl	REAL300019933681	0	32	-1.0	-41.77	303.78	2.85	-38.92
CN1N=C(Cl)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1Cl	REAL300019933681	1	32	-1.0	-41.72	303.95	2.85	-38.87
CN1N=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019933681	1	33	0.0	-11.09	308.04	2.80	-8.29
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933682	0	41	-1.0	-48.09	347.54	5.71	-42.38
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933682	1	41	-1.0	-48.02	347.70	5.70	-42.32
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933682	1	42	0.0	-15.71	355.86	5.79	-9.92
O=C(C1CCCC1CC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933683	0	48	-1.0	-42.78	363.89	7.98	-34.80
O=C(C1CCCC1CC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933683	1	48	-1.0	-42.71	364.06	7.97	-34.74
O=C(C1CCCC1CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933683	1	49	0.0	-12.56	368.17	7.93	-4.63
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933684	0	45	-1.0	-42.34	364.00	6.48	-35.86
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933684	1	45	-1.0	-42.32	364.16	6.47	-35.85
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933684	1	46	0.0	-11.85	367.50	6.43	-5.42
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2CCCC2)CCNC1=O	REAL300019933685	0	46	-1.0	-45.96	334.97	1.95	-44.01
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2CCCC2)CCNC1=O	REAL300019933685	1	46	-1.0	-45.98	335.13	1.95	-44.03
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCCC2)CCNC1=O	REAL300019933685	1	47	0.0	-19.67	339.23	1.90	-17.77
CCOC1=CC=CC(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933686	0	43	-1.0	-43.44	348.14	5.81	-37.63
CCOC1=CC=CC(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933686	1	43	-1.0	-43.41	348.31	5.82	-37.59
CCOC1=CC=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933686	1	44	0.0	-13.07	352.42	5.77	-7.30
COC1=CC=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019933687	0	40	-1.0	-42.66	326.22	4.92	-37.74
COC1=CC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019933687	1	40	-1.0	-42.60	326.39	4.91	-37.69
COC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933687	1	41	0.0	-13.02	330.50	4.86	-8.16
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933688	0	35	-1.0	-43.95	310.57	5.66	-38.29
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933688	1	35	-1.0	-43.91	310.74	5.66	-38.25
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933688	1	36	0.0	-14.53	314.88	5.64	-8.89
CC1(C)CC1(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019933689	0	45	-1.0	-39.95	348.77	7.11	-32.84
CC1(C)CC1(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300019933689	1	45	-1.0	-39.95	348.93	7.12	-32.83
CC1(C)CC1(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019933689	1	46	0.0	-9.74	352.88	7.07	-2.67
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933690	0	39	-1.0	-42.27	340.43	5.30	-36.97
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933690	1	39	-1.0	-42.21	340.60	5.31	-36.90
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933690	1	40	0.0	-12.83	344.74	5.28	-7.55
CC(=CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300019933691	0	36	-1.0	-39.75	305.40	5.44	-34.31
CC(=CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL300019933691	1	36	-1.0	-39.71	305.56	5.44	-34.27
CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CS1	REAL300019933691	1	37	0.0	-8.78	309.67	5.39	-3.39
O=C(C1=CSC=C1C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933692	0	32	-1.0	-45.89	289.70	4.14	-41.75
O=C(C1=CSC=C1C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933692	1	32	-1.0	-45.90	289.87	4.13	-41.77
O=C(C1=CSC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933692	1	33	0.0	-14.67	293.97	4.09	-10.58
CCCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300019933693	0	44	-1.0	-40.69	360.31	7.47	-33.22
CCCC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019933693	1	44	-1.0	-40.66	360.48	7.46	-33.20
CCCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019933693	1	45	0.0	-11.61	364.58	7.42	-4.19
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933694	0	49	-1.0	-42.11	386.24	4.14	-37.97
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933694	1	49	-1.0	-42.05	386.40	4.14	-37.91
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933694	1	50	0.0	-13.63	390.51	4.10	-9.53
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933695	0	42	-1.0	-44.05	338.26	2.97	-41.08
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933695	1	42	-1.0	-44.02	338.42	2.96	-41.06
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933695	1	43	0.0	-15.73	351.31	3.45	-12.28
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933696	0	38	-1.0	-51.90	312.69	0.47	-51.43
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933696	1	38	-1.0	-51.82	312.87	0.48	-51.34
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933696	1	39	0.0	-21.25	316.95	0.44	-20.81
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCCCCC1	REAL300019933697	0	56	-1.0	-39.71	387.02	6.91	-32.80
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCCCCC1	REAL300019933697	1	56	-1.0	-39.65	387.18	6.90	-32.75
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCCC1	REAL300019933697	1	57	0.0	-7.91	391.29	6.85	-1.06
CCOCCOCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933698	0	45	-1.0	-45.98	360.51	3.18	-42.80
CCOCCOCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933698	1	45	-1.0	-45.93	360.68	3.17	-42.76
CCOCCOCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933698	1	46	0.0	-15.70	364.78	3.13	-12.57
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933699	0	40	-1.0	-46.52	342.45	3.43	-43.09
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933699	1	40	-1.0	-46.46	342.62	3.43	-43.03
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933699	1	41	0.0	-14.01	346.72	3.38	-10.63
O=C(N1CCN(C2=NN=N[N-]2)CC1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019933700	0	41	-1.0	-43.75	349.59	4.66	-39.09
O=C(N1CCN(C2=N[N-]N=N2)CC1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019933700	1	41	-1.0	-43.67	349.76	4.65	-39.02
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019933700	1	42	0.0	-15.05	353.68	4.61	-10.44
COC1=CC=CC(C(OC)C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933701	0	43	-1.0	-42.96	343.43	4.21	-38.75
COC1=CC=CC(C(OC)C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933701	1	43	-1.0	-42.89	343.59	4.20	-38.69
COC1=CC=CC(C(OC)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933701	1	44	0.0	-13.33	348.44	4.15	-9.18
COCCOCCOCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933702	0	49	-1.0	-47.60	394.14	2.54	-45.06
COCCOCCOCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933702	1	49	-1.0	-47.57	394.30	2.53	-45.04
COCCOCCOCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933702	1	50	0.0	-17.27	398.41	2.49	-14.78
COC1=CC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2C=C1OC	REAL300019933703	0	46	-1.0	-45.31	365.91	5.50	-39.81
COC1=CC2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C2C=C1OC	REAL300019933703	1	46	-1.0	-45.30	366.08	5.50	-39.80
COC1=CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1OC	REAL300019933703	1	47	0.0	-14.94	370.18	5.46	-9.48
CSC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(C)O1	REAL300019933704	0	36	-1.0	-40.38	309.54	4.18	-36.20
CSC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(C)O1	REAL300019933704	1	36	-1.0	-40.32	309.71	4.18	-36.14
CSC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)O1	REAL300019933704	1	37	0.0	-9.42	313.82	4.14	-5.28
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933705	0	44	-1.0	-54.70	338.68	3.29	-51.41
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933705	1	44	-1.0	-54.64	338.84	3.28	-51.36
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019933705	1	45	0.0	-26.15	342.95	3.23	-22.92
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019933706	0	45	-2.0	-108.16	374.45	4.99	-103.17
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL300019933706	1	45	-2.0	-108.11	374.62	4.98	-103.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019933706	1	46	-1.0	-59.01	378.72	4.93	-54.08
CC(=O)NC1=CNC(=O)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933707	0	39	-1.0	-62.97	331.08	0.06	-62.91
CC(=O)NC1=CNC(=O)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933707	1	39	-1.0	-62.99	331.24	0.06	-62.93
CC(=O)NC1=CNC(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933707	1	40	0.0	-29.90	335.71	0.01	-29.89
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C(N2C=CC=C2)S1	REAL300019933708	0	40	-1.0	-44.82	335.16	6.75	-38.07
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C(N2C=CC=C2)S1	REAL300019933708	1	40	-1.0	-44.80	335.33	6.74	-38.06
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(N2C=CC=C2)S1	REAL300019933708	1	41	0.0	-12.46	339.98	6.66	-5.80
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933709	0	35	-2.0	-78.18	303.60	1.55	-76.63
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933709	1	35	-2.0	-78.10	303.66	1.56	-76.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933709	1	35	-2.0	-78.13	303.76	1.54	-76.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933709	1	35	-2.0	-78.11	303.83	1.55	-76.56
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933710	0	44	-1.0	-52.37	373.39	4.19	-48.18
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933710	1	44	-1.0	-52.31	373.56	4.18	-48.13
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019933710	1	45	0.0	-22.90	377.66	4.13	-18.77
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933711	0	38	-1.0	-41.31	349.40	2.00	-39.31
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933711	1	38	-1.0	-41.29	349.57	1.99	-39.30
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933711	1	39	0.0	-11.72	353.64	1.93	-9.79
O=C(C1=C(C(F)(F)F)C=NN1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933712	0	32	-1.0	-38.38	283.18	1.51	-36.87
O=C(C1=C(C(F)(F)F)C=NN1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933712	1	32	-1.0	-38.30	283.34	1.51	-36.79
O=C(CC1=CC(C2CC2)=NO1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933713	0	38	-1.0	-45.81	315.11	4.81	-41.00
O=C(CC1=CC(C2CC2)=NO1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933713	1	38	-1.0	-45.77	315.27	4.80	-40.97
O=C(CC1=CC(C2CC2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019933713	1	39	0.0	-17.28	319.37	4.75	-12.53
O=C(CCCN1C(=O)[N-]NC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933714	0	38	-2.0	-86.70	322.04	-0.36	-87.06
O=C(CCCN1C(=O)[N-]NC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933714	1	38	-2.0	-86.65	322.20	-0.37	-87.02
CN1C=CC(NC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300019933715	0	44	-1.0	-48.44	358.58	5.52	-42.92
CN1C=CC(NC2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300019933715	1	44	-1.0	-48.40	358.74	5.51	-42.89
CN1C=CC(NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=N1	REAL300019933715	1	45	0.0	-14.78	361.22	5.41	-9.37
CC1=NOC(C2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)CC2)=C1	REAL300019933716	0	38	-1.0	-39.32	314.23	4.39	-34.93
CC1=NOC(C2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)CC2)=C1	REAL300019933716	1	38	-1.0	-39.33	314.40	4.38	-34.95
CC1=NOC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)=C1	REAL300019933716	1	39	0.0	-9.78	318.50	4.34	-5.44
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933717	0	46	-1.0	-41.62	359.69	4.17	-37.45
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933717	1	46	-1.0	-41.54	359.85	4.17	-37.37
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019933717	1	47	0.0	-11.04	363.99	4.14	-6.90
O=C(C1CCCC2CCC[N@@H+]21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933718	0	45	0.0	-56.84	316.80	4.95	-51.89
O=C(C1CCCC2CCC[N@H+]21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933718	1	45	0.0	-56.91	317.07	4.97	-51.94
O=C(C1CCCC2CCC[N@@H+]21)N1CCN(C2=NNN=N2)CC1	REAL300019933718	1	46	1.0	-36.31	332.64	5.48	-30.83
O=C(C1CCCC2CCC[N@H+]21)N1CCN(C2=NNN=N2)CC1	REAL300019933718	1	46	1.0	-35.44	332.55	5.46	-29.98
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)(C)C1(C)C	REAL300019933719	0	56	-1.0	-39.30	400.32	6.87	-32.43
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)(C)C1(C)C	REAL300019933719	1	56	-1.0	-39.28	400.48	6.87	-32.41
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)(C)C1(C)C	REAL300019933719	1	57	0.0	-8.88	406.42	6.84	-2.04
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933720	0	43	-1.0	-44.06	338.11	2.16	-41.90
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933720	1	43	-1.0	-44.00	338.28	2.15	-41.85
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933720	1	44	0.0	-10.92	346.72	2.05	-8.87
CN1C=NC2=CN=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C21	REAL300019933721	0	37	-1.0	-42.92	301.91	3.46	-39.46
CN1C=NC2=CN=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C21	REAL300019933721	1	37	-1.0	-42.90	302.08	3.46	-39.44
CN1C=NC2=CN=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C21	REAL300019933721	1	38	0.0	-13.34	306.46	3.39	-9.95
O=C(C1CCCN1C1=NC=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933722	0	42	-1.0	-47.87	333.92	4.50	-43.37
O=C(C1CCCN1C1=NC=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933722	1	42	-1.0	-47.83	334.09	4.49	-43.34
O=C(C1CCCN1C1=NC=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933722	1	43	0.0	-17.59	338.20	4.45	-13.14
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(I)=NN1	REAL300019933723	0	32	-1.0	-43.14	297.30	2.20	-40.94
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(I)=NN1	REAL300019933723	1	32	-1.0	-43.09	297.46	2.20	-40.89
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(I)=NN1	REAL300019933723	1	33	0.0	-12.16	301.58	2.16	-10.00
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933724	0	41	-1.0	-44.88	335.84	5.32	-39.56
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933724	1	41	-1.0	-44.84	336.00	5.31	-39.53
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933724	1	42	0.0	-13.96	337.74	5.19	-8.77
O=C(CCC1=NN=C(C2CC2)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933725	0	40	-1.0	-43.90	332.92	0.51	-43.39
O=C(CCC1=NN=C(C2CC2)O1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933725	1	40	-1.0	-43.89	333.09	0.50	-43.39
O=C(CCC1=NN=C(C2CC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019933725	1	41	0.0	-14.25	337.14	0.44	-13.81
CC(C)N1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C2CCOCC2)=N1	REAL300019933726	0	52	-1.0	-44.18	400.76	4.62	-39.56
CC(C)N1C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C2CCOCC2)=N1	REAL300019933726	1	52	-1.0	-44.22	400.92	4.61	-39.61
CC(C)N1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2CCOCC2)=N1	REAL300019933726	1	53	0.0	-14.38	405.03	4.56	-9.82
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933727	0	50	-1.0	-45.27	393.54	0.73	-44.54
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933727	1	50	-1.0	-45.23	393.70	0.72	-44.51
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019933727	1	51	0.0	-15.30	397.81	0.68	-14.62
CC(=O)NC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=N1	REAL300019933728	0	38	-1.0	-47.83	313.48	2.60	-45.23
CC(=O)NC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=N1	REAL300019933728	1	38	-1.0	-47.79	313.64	2.59	-45.20
CC(=O)NC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019933728	1	39	0.0	-18.30	317.75	2.55	-15.75
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933729	0	52	-1.0	-41.38	391.46	6.64	-34.74
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933729	1	52	-1.0	-41.33	391.63	6.63	-34.70
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CC1=CC=CC=C1NC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=CS1	REAL300019933751	1	43	-1.0	-44.63	352.51	5.41	-39.22
CC1=CC=CC=C1NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=CS1	REAL300019933751	1	44	0.0	-11.18	356.61	5.37	-5.81
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CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCN(C3=NN=N[N-]3)CC1)=NO2	REAL300019933756	0	51	-1.0	-45.84	404.27	3.36	-42.48
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCN(C3=N[N-]N=N3)CC1)=NO2	REAL300019933756	1	51	-1.0	-45.82	404.43	3.36	-42.46
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCN(C3=NNN=N3)CC1)=NO2	REAL300019933756	1	52	0.0	-15.06	408.75	3.39	-11.67
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CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019933759	0	55	-1.0	-45.87	414.86	4.36	-41.51
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CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933759	1	56	0.0	-15.96	419.13	4.30	-11.66
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CC1=CN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)N=C1C(F)(F)F	REAL300019933804	1	38	-1.0	-49.16	330.00	4.10	-45.06
CC1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1C(F)(F)F	REAL300019933804	1	39	0.0	-21.25	334.10	4.05	-17.20
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019933805	0	42	-1.0	-41.43	336.79	7.09	-34.34
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019933805	1	42	-1.0	-41.38	336.95	7.09	-34.29
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933805	1	43	0.0	-11.50	341.03	7.04	-4.46
O=C(C1=CC=CC(C#CCO)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933806	0	38	-1.0	-46.88	322.10	2.83	-44.05
O=C(C1=CC=CC(C#CCO)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933806	1	38	-1.0	-46.85	322.26	2.82	-44.03
O=C(C1=CC=CC(C#CCO)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933806	1	39	0.0	-17.51	327.64	2.82	-14.69
COC1=CC(CO)=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933807	0	40	-1.0	-47.38	325.34	1.05	-46.33
COC1=CC(CO)=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933807	1	40	-1.0	-47.35	325.50	1.05	-46.30
COC1=CC(CO)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933807	1	41	0.0	-15.37	329.61	1.01	-14.36
O=C(CC1CCN(CC(F)F)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933808	0	46	-1.0	-43.28	353.12	4.02	-39.26
O=C(CC1CCN(CC(F)F)CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933808	1	46	-1.0	-43.26	353.28	4.02	-39.24
O=C(CC1CCN(CC(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019933808	1	47	0.0	-12.29	357.43	3.99	-8.30
NC1=C2N=CN(CCCC(=O)N3CCN(C4=NN=N[N-]4)CC3)C2=NC=N1	REAL300019933809	0	44	-1.0	-51.12	362.96	5.27	-45.85
NC1=C2N=CN(CCCC(=O)N3CCN(C4=N[N-]N=N4)CC3)C2=NC=N1	REAL300019933809	1	44	-1.0	-51.10	363.12	5.27	-45.83
NC1=C2N=CN(CCCC(=O)N3CCN(C4=NNN=N4)CC3)C2=NC=N1	REAL300019933809	1	45	0.0	-21.71	367.24	5.23	-16.48
NC1=C2N=CN(CCCCC(=O)N3CCN(C4=NN=N[N-]4)CC3)C2=NC=N1	REAL300019933810	0	47	-1.0	-48.04	384.50	6.08	-41.96
NC1=C2N=CN(CCCCC(=O)N3CCN(C4=N[N-]N=N4)CC3)C2=NC=N1	REAL300019933810	1	47	-1.0	-47.96	384.67	6.07	-41.89
NC1=C2N=CN(CCCCC(=O)N3CCN(C4=NNN=N4)CC3)C2=NC=N1	REAL300019933810	1	48	0.0	-18.40	388.78	6.02	-12.38
CC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300019933811	0	47	0.0	-51.77	325.58	5.12	-46.65
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)[NH+]1CCCCC1	REAL300019933811	1	48	1.0	-38.68	329.85	5.07	-33.61
O=C(CC(O)COCC1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933812	0	46	-1.0	-48.50	374.75	3.78	-44.72
O=C(CC(O)COCC1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933812	1	46	-1.0	-48.42	374.92	3.78	-44.64
O=C(CC(O)COCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933812	1	47	0.0	-18.18	379.03	3.74	-14.44
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933813	0	43	-1.0	-41.65	355.47	4.20	-37.45
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933813	1	43	-1.0	-41.61	355.64	4.19	-37.42
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019933813	1	44	0.0	-15.34	355.91	5.27	-10.07
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933814	0	52	-1.0	-43.13	394.43	5.21	-37.92
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933814	1	52	-1.0	-43.07	394.60	5.21	-37.86
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CS(C)(=O)=NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933816	1	43	0.0	-25.10	346.29	2.29	-22.81
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CC1CCC2=NC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CN2C1	REAL300019933817	1	42	-1.0	-44.88	328.66	5.71	-39.17
CC1CCC2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN2C1	REAL300019933817	1	43	0.0	-11.22	332.45	5.63	-5.59
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CC1=NC=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL300019933820	0	35	-1.0	-42.40	304.09	3.58	-38.82
CC1=NC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL300019933820	1	35	-1.0	-42.36	304.26	3.57	-38.79
CC1=NC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019933820	1	36	0.0	-12.05	308.36	3.53	-8.52
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NC(=O)C1=CC=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019933822	0	38	-1.0	-47.13	319.82	0.17	-46.96
NC(=O)C1=CC=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL300019933822	1	38	-1.0	-47.09	319.98	0.17	-46.92
NC(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019933822	1	39	0.0	-18.68	324.09	0.13	-18.55
CC1=C(C)C(=O)N(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1=O	REAL300019933823	0	42	-1.0	-45.59	350.87	3.73	-41.86
CC1=C(C)C(=O)N(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1=O	REAL300019933823	1	42	-1.0	-45.55	351.04	3.74	-41.81
CC1=C(C)C(=O)N(CCC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019933823	1	43	0.0	-14.16	355.15	3.69	-10.47
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CCOC(=O)C1CCCN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019933825	0	49	-1.0	-42.54	380.19	4.03	-38.51
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933825	1	50	0.0	-62.91	375.77	6.35	-56.56
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933825	1	50	0.0	-63.07	381.89	6.20	-56.87
CCOC(=O)C1CCCN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933825	1	49	-1.0	-42.58	380.03	4.04	-38.54
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CC1=NNC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C(F)(F)F	REAL300019933827	0	35	-1.0	-40.90	298.59	1.92	-38.98
CC1=NNC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1C(F)(F)F	REAL300019933827	1	35	-1.0	-40.87	298.76	1.91	-38.96
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933828	0	53	-1.0	-52.74	418.26	7.32	-45.42
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933828	1	53	-1.0	-52.68	418.42	7.31	-45.37
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933828	1	54	0.0	-22.00	423.13	7.29	-14.71
CN1CCOC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C21	REAL300019933829	0	42	-1.0	-43.43	327.36	2.63	-40.80
CN1CCOC2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C21	REAL300019933829	1	42	-1.0	-43.41	327.53	2.63	-40.78
CN1CCOC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019933829	1	43	0.0	-12.62	331.63	2.59	-10.03
CC1CCN2C=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)N=C2C1	REAL300019933830	0	42	-1.0	-45.13	328.49	5.73	-39.40
CC1CCN2C=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)N=C2C1	REAL300019933830	1	42	-1.0	-45.10	328.66	5.74	-39.36
CC1CCN2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=C2C1	REAL300019933830	1	43	0.0	-11.35	332.80	5.69	-5.66
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933831	0	48	0.0	-57.60	337.76	3.37	-54.23
CC(C)(CN1CCOCC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933831	1	47	-1.0	-40.84	337.38	2.11	-38.73
CN1CC[N@H+](C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933832	0	46	0.0	-60.28	330.08	2.74	-57.54
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933832	1	46	0.0	-57.96	334.20	2.34	-55.62
CN1CC[N@H+](C)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933832	1	47	1.0	-40.00	333.66	2.71	-37.29
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933832	1	47	1.0	-49.84	336.22	2.06	-47.78
CN1C=C(C2=CC=CC=C2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019936202	0	42	-1.0	-47.17	342.12	5.48	-41.69
CN1C=C(C2=CC=CC=C2C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL300019936202	1	42	-1.0	-47.13	342.29	5.47	-41.66
CN1C=C(C2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936202	1	43	0.0	-15.40	349.27	5.32	-10.08
O=C(C1=C(C2CCC2)ON=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936203	0	38	-1.0	-39.52	307.94	4.49	-35.03
O=C(C1=C(C2CCC2)ON=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936203	1	38	-1.0	-39.47	308.11	4.49	-34.98
O=C(C1=C(C2CCC2)ON=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936203	1	39	0.0	-9.65	311.78	4.43	-5.22
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C2=CC=CN=C2C=C1	REAL300019936204	0	40	-1.0	-42.02	326.63	5.03	-36.99
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C2=CC=CN=C2C=C1	REAL300019936204	1	40	-1.0	-41.96	326.80	5.02	-36.94
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CN=C2C=C1	REAL300019936204	1	41	0.0	-12.20	330.90	4.97	-7.23
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936205	0	43	-1.0	-42.96	365.07	8.39	-34.57
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936205	1	43	-1.0	-42.92	365.24	8.39	-34.53
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019936205	1	44	0.0	-11.38	369.34	8.34	-3.04
COC1(C2=CC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2)COC1	REAL300019936206	0	44	-1.0	-45.72	343.16	3.36	-42.36
COC1(C2=CC=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2)COC1	REAL300019936206	1	44	-1.0	-45.72	343.33	3.36	-42.36
COC1(C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)COC1	REAL300019936206	1	45	0.0	-14.08	348.38	3.35	-10.73
COCCN1C=CC2=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300019936207	0	46	-1.0	-46.04	373.60	5.81	-40.23
COCCN1C=CC2=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300019936207	1	46	-1.0	-46.02	373.76	5.81	-40.21
COCCN1C=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019936207	1	47	0.0	-13.96	377.87	5.76	-8.20
CC(C)N1C=CC2=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300019936208	0	45	-1.0	-46.52	357.89	7.23	-39.29
CC(C)N1C=CC2=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300019936208	1	45	-1.0	-46.49	358.06	7.22	-39.27
CC(C)N1C=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019936208	1	46	0.0	-13.83	362.16	7.18	-6.65
C[C@@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300019936209	0	38	-1.0	-40.89	311.67	5.62	-35.27
C[C@@H](C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300019936209	1	38	-1.0	-40.82	311.83	5.61	-35.21
C[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1	REAL300019936209	1	39	0.0	-12.01	315.19	5.54	-6.47
CCC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)CC(F)(F)F	REAL300019936210	0	40	-1.0	-43.18	313.25	4.94	-38.24
CCC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)CC(F)(F)F	REAL300019936210	1	40	-1.0	-43.09	313.42	4.94	-38.15
CCC(CC(=O)N1CCN(C2=NNN=N2)CC1)CC(F)(F)F	REAL300019936210	1	41	0.0	-13.87	317.60	4.86	-9.01
O=C(C1=CC=NN1CC1CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936211	0	39	-1.0	-40.95	313.05	4.26	-36.69
O=C(C1=CC=NN1CC1CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936211	1	39	-1.0	-40.92	313.22	4.27	-36.65
O=C(C1=CC=NN1CC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936211	1	40	0.0	-10.90	317.32	4.22	-6.68
O=C(C1CCC(F)(F)CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936212	0	36	-1.0	-45.40	290.56	3.47	-41.93
O=C(C1CCC(F)(F)CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936212	1	36	-1.0	-45.35	290.73	3.46	-41.89
O=C(C1CCC(F)(F)CO1)N1CCN(C2=NNN=N2)CC1	REAL300019936212	1	37	0.0	-16.77	294.40	3.42	-13.35
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936213	0	48	-1.0	-39.51	384.54	8.88	-30.63
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936213	1	48	-1.0	-39.40	384.71	8.88	-30.52
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936213	1	49	0.0	-10.02	388.83	8.84	-1.18
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936214	0	38	-1.0	-39.73	331.94	5.39	-34.34
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936214	1	38	-1.0	-39.70	332.11	5.38	-34.32
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019936214	1	39	0.0	-10.86	336.21	5.34	-5.52
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936215	0	38	-1.0	-39.38	342.27	5.84	-33.54
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936215	1	38	-1.0	-39.37	342.43	5.83	-33.54
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019936215	1	39	0.0	-10.48	346.54	5.79	-4.69
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936216	0	38	-1.0	-40.04	342.27	5.84	-34.20
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936216	1	38	-1.0	-40.00	342.44	5.83	-34.17
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019936216	1	39	0.0	-10.80	346.43	5.79	-5.01
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCN(C4=NN=N[N-]4)CC3)N2C)C=C1	REAL300019936217	0	51	-1.0	-47.44	408.49	8.29	-39.15
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCN(C4=N[N-]N=N4)CC3)N2C)C=C1	REAL300019936217	1	51	-1.0	-47.44	408.66	8.29	-39.15
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCN(C4=NNN=N4)CC3)N2C)C=C1	REAL300019936217	1	52	0.0	-18.50	412.76	8.25	-10.25
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)NC2=CC(F)=CC(F)=C21	REAL300019936218	0	39	-1.0	-38.82	330.27	4.73	-34.09
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)NC2=CC(F)=CC(F)=C21	REAL300019936218	1	39	-1.0	-38.75	330.44	4.73	-34.02
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC(F)=CC(F)=C21	REAL300019936218	1	40	0.0	-9.71	334.54	4.68	-5.03
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936219	0	51	-1.0	-45.67	405.96	3.57	-42.10
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936219	1	51	-1.0	-45.64	406.12	3.58	-42.06
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936219	1	52	0.0	-13.90	410.26	3.53	-10.37
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936220	0	55	-1.0	-43.40	414.36	4.33	-39.07
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936220	1	55	-1.0	-43.33	414.52	4.33	-39.00
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936220	1	56	0.0	-12.95	419.13	4.30	-8.65
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936221	0	32	-1.0	-45.26	292.00	4.72	-40.54
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936221	1	32	-1.0	-45.20	292.16	4.71	-40.49
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936221	1	33	0.0	-15.53	296.41	4.66	-10.87
COC(=O)CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019936222	0	41	-1.0	-47.09	339.80	5.52	-41.57
COC(=O)CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019936222	1	41	-1.0	-47.10	339.97	5.51	-41.59
COC(=O)CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936222	1	42	0.0	-14.83	344.08	5.47	-9.36
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936223	0	58	-1.0	-41.51	439.84	3.12	-38.39
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936223	1	58	-1.0	-41.52	440.01	3.11	-38.41
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936223	1	59	0.0	-11.60	444.11	3.06	-8.54
NC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C(F)C(F)=C1F	REAL300019936224	0	34	-1.0	-38.23	293.85	2.33	-35.90
NC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C(F)C(F)=C1F	REAL300019936224	1	34	-1.0	-38.16	294.02	2.33	-35.83
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(F)C(F)=C1F	REAL300019936224	1	35	0.0	-9.66	298.21	2.31	-7.35
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936225	0	55	-1.0	-50.27	410.69	6.05	-44.22
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936225	1	55	-1.0	-50.27	410.86	6.05	-44.22
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936225	1	56	0.0	-19.28	414.96	6.00	-13.28
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936226	0	49	-1.0	-51.30	371.34	4.73	-46.57
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936226	1	49	-1.0	-51.26	371.50	4.73	-46.53
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936226	1	50	0.0	-22.33	375.60	4.69	-17.64
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936227	0	57	-1.0	-38.70	397.16	5.58	-33.12
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936227	1	57	-1.0	-38.63	397.33	5.57	-33.06
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936227	1	58	0.0	-10.01	407.52	5.81	-4.20
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936228	0	58	-1.0	-50.79	439.14	4.10	-46.69
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936228	1	58	-1.0	-50.74	439.30	4.09	-46.65
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936228	1	59	0.0	-10.46	444.94	3.13	-7.33
O=C(C1=C(Br)C=CN=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936229	0	31	-1.0	-42.44	288.91	2.94	-39.50
O=C(C1=C(Br)C=CN=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936229	1	31	-1.0	-42.40	289.07	2.94	-39.46
O=C(C1=C(Br)C=CN=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936229	1	32	0.0	-12.55	293.18	2.90	-9.65
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CO1	REAL300019936230	0	48	-1.0	-43.58	387.54	0.45	-43.13
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CO1	REAL300019936230	1	48	-1.0	-43.55	387.70	0.44	-43.11
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CO1	REAL300019936230	1	49	0.0	-11.38	391.81	0.40	-10.98
CN(C)C1=CC=C(Br)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936231	0	40	-1.0	-43.29	336.13	5.13	-38.16
CN(C)C1=CC=C(Br)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936231	1	40	-1.0	-43.27	336.30	5.12	-38.15
CN(C)C1=CC=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936231	1	41	0.0	-11.80	340.40	5.08	-6.72
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936232	0	42	-1.0	-49.56	343.89	2.60	-46.96
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936232	1	42	-1.0	-49.52	344.06	2.60	-46.92
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019936232	1	43	0.0	-18.51	348.96	2.59	-15.92
O=C(C1=NN2CC(F)CC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936233	0	36	-1.0	-44.47	296.10	3.38	-41.09
O=C(C1=NN2CC(F)CC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936233	1	36	-1.0	-44.43	296.27	3.37	-41.06
O=C(C1=NN2CC(F)CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936233	1	37	0.0	-12.00	300.38	3.33	-8.67
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300019936234	0	48	-1.0	-44.03	373.51	3.45	-40.58
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300019936234	1	48	-1.0	-43.99	373.68	3.44	-40.55
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL300019936234	1	49	0.0	-10.31	376.88	3.36	-6.95
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCN(CCC1)S2(=O)=O	REAL300019936235	0	41	-1.0	-49.17	314.61	0.31	-48.86
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCN(CCC1)S2(=O)=O	REAL300019936235	1	41	-1.0	-49.09	314.78	0.30	-48.79
O=C(N1CCN(C2=NNN=N2)CC1)C12CCN(CCC1)S2(=O)=O	REAL300019936235	1	42	0.0	-21.12	318.88	0.26	-20.86
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936236	0	41	-1.0	-49.37	341.78	3.56	-45.81
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936236	1	41	-1.0	-49.35	341.94	3.55	-45.80
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936236	1	42	0.0	-18.26	348.59	2.97	-15.29
CC1=CC=CC(C2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)CC2(F)F)=C1	REAL300019936237	0	42	-1.0	-44.47	344.43	6.77	-37.70
CC1=CC=CC(C2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)CC2(F)F)=C1	REAL300019936237	1	42	-1.0	-44.39	344.59	6.76	-37.63
CC1=CC=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2(F)F)=C1	REAL300019936237	1	43	0.0	-9.14	345.50	6.78	-2.36
O=C(C1=C(C2CC2)ON=C1Br)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936238	0	35	-1.0	-37.33	318.70	4.70	-32.63
O=C(C1=C(C2CC2)ON=C1Br)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936238	1	35	-1.0	-37.28	318.87	4.69	-32.59
O=C(C1=C(C2CC2)ON=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019936238	1	36	0.0	-9.79	322.97	4.64	-5.15
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936239	0	33	-1.0	-41.06	296.04	3.26	-37.80
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936239	1	33	-1.0	-41.03	296.20	3.25	-37.78
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCN(C2=NNN=N2)CC1	REAL300019936239	1	34	0.0	-11.25	300.31	3.21	-8.04
CC1=CC2=C(C=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)N2)O1	REAL300019936240	0	36	-1.0	-43.00	296.24	3.46	-39.54
CC1=CC2=C(C=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)N2)O1	REAL300019936240	1	36	-1.0	-43.02	296.40	3.45	-39.57
CC1=CC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2)O1	REAL300019936240	1	37	0.0	-13.44	300.53	3.40	-10.04
CC(C)C1=CNC2=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300019936241	0	44	-1.0	-56.21	350.34	5.01	-51.20
CC(C)C1=CNC2=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300019936241	1	44	-1.0	-56.16	350.51	5.00	-51.16
CC(C)C1=CNC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019936241	1	45	0.0	-20.14	354.61	4.95	-15.19
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936242	0	38	-1.0	-43.15	331.72	4.28	-38.87
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936242	1	38	-1.0	-43.03	331.88	4.27	-38.76
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCN(C2=NNN=N2)CC1	REAL300019936242	1	39	0.0	-13.73	335.99	4.23	-9.50
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936243	0	34	-1.0	-56.60	306.06	3.55	-53.05
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936243	1	34	-1.0	-56.57	306.22	3.54	-53.03
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936243	1	35	0.0	-22.19	310.33	3.49	-18.70
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936244	0	55	-1.0	-50.73	418.86	3.35	-47.38
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936244	1	55	-1.0	-50.73	419.03	3.34	-47.39
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936244	1	56	0.0	-18.72	423.14	3.30	-15.42
C#CCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300019936245	0	54	-1.0	-50.77	413.61	5.57	-45.20
C#CCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300019936245	1	54	-1.0	-50.78	413.78	5.56	-45.22
C#CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300019936245	1	55	0.0	-20.97	416.08	5.47	-15.50
CCOC1=CC(Br)=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1N	REAL300019936246	0	41	-1.0	-39.29	347.30	3.07	-36.22
CCOC1=CC(Br)=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1N	REAL300019936246	1	41	-1.0	-39.27	347.47	3.07	-36.20
CCOC1=CC(Br)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019936246	1	42	0.0	-8.82	351.67	3.06	-5.76
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936247	0	39	-1.0	-43.06	333.67	6.93	-36.13
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936247	1	39	-1.0	-43.03	333.84	6.92	-36.11
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019936247	1	40	0.0	-12.76	337.90	6.87	-5.89
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936248	0	52	-1.0	-43.06	401.91	3.36	-39.70
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936248	1	52	-1.0	-43.03	402.07	3.35	-39.68
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936248	1	53	0.0	-13.97	405.87	2.07	-11.90
C=CCN(CCC(=O)N1CCN(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300019936249	0	52	-1.0	-43.14	409.01	6.06	-37.08
C=CCN(CCC(=O)N1CCN(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300019936249	1	52	-1.0	-43.08	409.17	6.07	-37.01
C=CCN(CCC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019936249	1	53	0.0	-14.06	413.32	6.04	-8.02
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936250	0	55	-1.0	-48.13	412.30	4.72	-43.41
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936250	1	55	-1.0	-48.10	412.46	4.72	-43.38
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936250	1	56	0.0	-19.70	416.57	4.68	-15.02
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=CC2=CC=CC=C21	REAL300019936251	0	41	-1.0	-42.32	323.88	6.86	-35.46
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=CC2=CC=CC=C21	REAL300019936251	1	41	-1.0	-42.27	324.04	6.86	-35.41
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC2=CC=CC=C21	REAL300019936251	1	42	0.0	-11.10	328.14	6.82	-4.28
COC1=CC=CC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019936252	0	41	-1.0	-43.01	335.80	2.69	-40.32
COC1=CC=CC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL300019936252	1	41	-1.0	-42.97	335.97	2.69	-40.28
COC1=CC=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936252	1	42	0.0	-11.77	340.03	2.63	-9.14
CN1N=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C2=C1CCOC2	REAL300019936253	0	40	-1.0	-45.69	317.72	2.45	-43.24
CN1N=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C2=C1CCOC2	REAL300019936253	1	40	-1.0	-45.65	317.88	2.45	-43.20
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=C1CCOC2	REAL300019936253	1	41	0.0	-13.51	321.99	2.40	-11.11
CC1=CC=CC([C@@H](C)C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936254	0	41	-1.0	-41.74	323.03	6.13	-35.61
CC1=CC=CC([C@@H](C)C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936254	1	41	-1.0	-41.69	323.20	6.12	-35.57
CC1=CC=CC([C@@H](C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936254	1	42	0.0	-10.79	330.20	6.14	-4.65
COC1=CC(C)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019936255	0	38	-1.0	-40.13	308.39	1.38	-38.75
COC1=CC(C)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL300019936255	1	38	-1.0	-40.08	308.56	1.37	-38.71
COC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936255	1	39	0.0	-10.19	312.66	1.34	-8.85
CC1=CC=C(C2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)CCC(=O)CC2)C=C1	REAL300019936256	0	50	-1.0	-42.24	371.66	6.91	-35.33
CC1=CC=C(C2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)CCC(=O)CC2)C=C1	REAL300019936256	1	50	-1.0	-42.24	371.82	6.91	-35.33
CC1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCC(=O)CC2)C=C1	REAL300019936256	1	51	0.0	-12.29	375.92	6.87	-5.42
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2CCOCC2)CC1(F)F	REAL300019936257	0	43	-1.0	-44.19	332.34	4.01	-40.18
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2CCOCC2)CC1(F)F	REAL300019936257	1	43	-1.0	-44.14	332.51	4.01	-40.13
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCOCC2)CC1(F)F	REAL300019936257	1	44	0.0	-16.31	336.62	3.97	-12.34
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936258	0	37	-1.0	-40.97	334.12	4.44	-36.53
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936258	1	37	-1.0	-40.93	334.28	4.43	-36.50
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936258	1	38	0.0	-15.28	338.14	4.40	-10.88
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C21	REAL300019936259	0	40	-1.0	-40.38	342.47	3.14	-37.24
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C21	REAL300019936259	1	40	-1.0	-40.37	342.64	3.15	-37.22
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019936259	1	41	0.0	-14.95	346.75	3.10	-11.85
CN1C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC2=C1C=CS2	REAL300019936260	0	36	-1.0	-41.66	301.84	4.69	-36.97
CN1C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC2=C1C=CS2	REAL300019936260	1	36	-1.0	-41.65	302.01	4.69	-36.96
CN1C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC2=C1C=CS2	REAL300019936260	1	37	0.0	-10.86	306.15	4.65	-6.21
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1CC(F)F	REAL300019936261	0	38	-1.0	-43.12	317.63	3.41	-39.71
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1CC(F)F	REAL300019936261	1	38	-1.0	-43.07	317.80	3.40	-39.67
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CC(F)F	REAL300019936261	1	39	0.0	-12.10	323.14	3.41	-8.69
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=NN1C1CCC1	REAL300019936262	0	42	-1.0	-42.73	331.27	4.52	-38.21
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=NN1C1CCC1	REAL300019936262	1	42	-1.0	-42.70	331.43	4.51	-38.19
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1CCC1	REAL300019936262	1	43	0.0	-11.45	335.54	4.47	-6.98
O=C(C1=C2CCCCC2=CN1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936263	0	40	-1.0	-43.09	311.13	4.85	-38.24
O=C(C1=C2CCCCC2=CN1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936263	1	40	-1.0	-43.07	311.30	4.85	-38.22
O=C(C1=C2CCCCC2=CN1)N1CCN(C2=NNN=N2)CC1	REAL300019936263	1	41	0.0	-10.54	320.00	4.39	-6.15
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)CO1	REAL300019936264	0	53	-1.0	-49.40	404.68	1.80	-47.60
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)CO1	REAL300019936264	1	53	-1.0	-49.34	404.84	1.80	-47.54
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CO1	REAL300019936264	1	54	0.0	-18.35	408.95	1.75	-16.60
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936265	0	52	-1.0	-43.71	398.27	1.58	-42.13
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936265	1	52	-1.0	-43.68	398.43	1.57	-42.11
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936265	1	53	0.0	-13.00	402.54	1.52	-11.48
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019936266	0	55	-1.0	-44.81	415.61	5.88	-38.93
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019936266	1	55	-1.0	-44.76	415.78	5.88	-38.88
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936266	1	56	0.0	-17.44	419.78	5.83	-11.61
COC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019936267	0	50	-1.0	-41.56	388.33	2.69	-38.87
COC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019936267	1	50	-1.0	-41.44	388.50	2.69	-38.75
COC1(C(=O)N2CCN(C3=NNN=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019936267	1	51	0.0	-11.85	392.58	2.65	-9.20
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CC(C)(C)C1	REAL300019936268	0	58	-1.0	-40.12	426.32	5.41	-34.71
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1CC(C)(C)C1	REAL300019936268	1	58	-1.0	-40.04	426.48	5.41	-34.63
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC(C)(C)C1	REAL300019936268	1	59	0.0	-10.12	430.60	5.37	-4.75
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936269	0	56	-1.0	-48.52	412.82	2.30	-46.22
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936269	1	56	-1.0	-48.52	412.99	2.29	-46.23
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936269	1	57	0.0	-18.66	417.09	2.25	-16.41
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019936270	0	58	-1.0	-43.46	425.52	4.78	-38.68
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019936270	1	58	-1.0	-43.41	425.69	4.78	-38.63
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936270	1	59	0.0	-12.17	424.83	4.57	-7.60
CC1=NN(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C)=C1C	REAL300019936271	0	41	-1.0	-46.10	329.58	4.11	-41.99
CC1=NN(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C)=C1C	REAL300019936271	1	41	-1.0	-46.07	329.75	4.10	-41.97
CC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1C	REAL300019936271	1	42	0.0	-17.28	333.78	4.03	-13.25
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019936272	0	55	-1.0	-45.63	401.20	5.26	-40.37
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019936272	1	55	-1.0	-45.63	401.37	5.25	-40.38
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936272	1	56	0.0	-15.37	404.36	5.14	-10.23
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019936273	0	49	-1.0	-43.19	384.58	2.82	-40.37
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL300019936273	1	49	-1.0	-43.16	384.75	2.81	-40.35
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936273	1	50	0.0	-11.60	388.85	2.77	-8.83
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936274	0	35	-1.0	-42.95	309.81	5.36	-37.59
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936274	1	35	-1.0	-42.92	309.98	5.36	-37.56
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936274	1	36	0.0	-15.31	314.09	5.31	-10.00
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019936275	0	39	-1.0	-38.02	329.68	6.32	-31.70
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019936275	1	39	-1.0	-38.01	329.84	6.31	-31.70
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019936275	1	40	0.0	-15.30	338.33	6.47	-8.83
CC(=O)C1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CS1	REAL300019936276	0	33	-1.0	-49.20	292.20	2.48	-46.72
CC(=O)C1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CS1	REAL300019936276	1	33	-1.0	-49.19	292.36	2.48	-46.71
CC(=O)C1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019936276	1	34	0.0	-14.03	296.47	2.43	-11.60
COC1=NN(C)C(Br)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936277	0	36	-1.0	-42.09	323.95	0.47	-41.62
COC1=NN(C)C(Br)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936277	1	36	-1.0	-42.08	324.12	0.46	-41.62
COC1=NN(C)C(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936277	1	37	0.0	-12.44	328.23	0.41	-12.03
CC(=O)NC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300019936278	0	39	-1.0	-54.10	327.16	3.08	-51.02
CC(=O)NC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300019936278	1	39	-1.0	-54.06	327.33	3.07	-50.99
CC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019936278	1	40	0.0	-22.16	331.39	3.03	-19.13
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936279	0	56	-1.0	-45.85	425.55	3.67	-42.18
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936279	1	56	-1.0	-45.78	425.72	3.67	-42.11
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936279	1	57	0.0	-14.34	434.19	2.48	-11.86
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936280	0	35	-1.0	-44.58	309.58	4.33	-40.25
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936280	1	35	-1.0	-44.56	309.75	4.33	-40.23
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019936280	1	36	0.0	-15.12	313.86	4.28	-10.84
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300019936281	0	45	-1.0	-45.92	375.31	3.55	-42.37
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300019936281	1	45	-1.0	-45.91	375.48	3.55	-42.36
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)CC1	REAL300019936281	1	46	0.0	-16.76	380.81	3.56	-13.20
CC1=C2C=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)SC2=C(C)S1	REAL300019936282	0	38	-1.0	-41.67	333.88	5.99	-35.68
CC1=C2C=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)SC2=C(C)S1	REAL300019936282	1	38	-1.0	-41.63	334.04	5.98	-35.65
CC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)SC2=C(C)S1	REAL300019936282	1	39	0.0	-10.36	338.15	5.94	-4.42
O=C(C1CCCC2=NN=CN21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936283	0	38	-1.0	-46.65	301.10	4.87	-41.78
O=C(C1CCCC2=NN=CN21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936283	1	38	-1.0	-46.61	301.27	4.87	-41.74
O=C(C1CCCC2=NN=CN21)N1CCN(C2=NNN=N2)CC1	REAL300019936283	1	39	0.0	-20.00	305.37	4.82	-15.18
CC1(C)CCCC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL300019936284	0	45	-1.0	-42.94	336.87	5.18	-37.76
CC1(C)CCCC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)O1	REAL300019936284	1	45	-1.0	-42.91	337.04	5.18	-37.73
CC1(C)CCCC(CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019936284	1	46	0.0	-12.37	341.14	5.14	-7.23
COC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=CN=C1	REAL300019936285	0	38	-1.0	-45.68	309.68	3.12	-42.56
COC(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=CN=C1	REAL300019936285	1	38	-1.0	-45.67	309.84	3.11	-42.56
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CN=C1	REAL300019936285	1	39	0.0	-17.43	313.95	3.05	-14.38
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936286	0	56	-1.0	-46.32	413.18	5.92	-40.40
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936286	1	56	-1.0	-46.27	413.34	5.93	-40.34
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936286	1	57	0.0	-15.69	417.46	5.88	-9.81
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936287	0	55	-1.0	-46.05	405.52	3.89	-42.16
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936287	1	55	-1.0	-46.00	405.69	3.88	-42.12
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936287	1	56	0.0	-16.41	411.52	3.80	-12.61
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936288	0	35	-1.0	-43.02	333.34	6.54	-36.48
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936288	1	35	-1.0	-42.99	333.50	6.53	-36.46
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936288	1	36	0.0	-12.91	337.41	6.50	-6.41
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCN(C3=NN=N[N-]3)CC1)C2	REAL300019936289	0	44	-1.0	-48.07	335.42	1.46	-46.61
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCN(C3=N[N-]N=N3)CC1)C2	REAL300019936289	1	44	-1.0	-47.99	335.59	1.45	-46.54
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019936289	1	45	0.0	-21.86	339.98	1.42	-20.44
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936290	0	39	-1.0	-46.37	327.67	6.60	-39.77
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936290	1	39	-1.0	-46.36	327.84	6.60	-39.76
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019936290	1	40	0.0	-17.48	331.90	6.54	-10.94
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C3=O	REAL300019936291	0	48	-1.0	-49.95	375.36	7.06	-42.89
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCN(C2=N[N-]N=N2)CC1)C3=O	REAL300019936291	1	48	-1.0	-49.96	375.53	7.06	-42.90
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCN(C2=NNN=N2)CC1)C3=O	REAL300019936291	1	49	0.0	-15.77	379.64	7.01	-8.76
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCN(C3=NN=N[N-]3)CC1)=C2	REAL300019936292	0	46	-1.0	-51.13	371.81	6.02	-45.11
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCN(C3=N[N-]N=N3)CC1)=C2	REAL300019936292	1	46	-1.0	-51.17	371.98	6.01	-45.16
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019936292	1	47	0.0	-18.78	376.06	5.98	-12.80
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936293	0	40	-1.0	-52.78	334.75	5.05	-47.73
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936293	1	40	-1.0	-52.77	334.92	5.04	-47.73
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019936293	1	41	0.0	-20.29	339.02	5.00	-15.29
COC1=CC2=NC=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=C2C=C1	REAL300019936294	0	41	-1.0	-43.79	331.39	3.73	-40.06
COC1=CC2=NC=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=C2C=C1	REAL300019936294	1	41	-1.0	-43.75	331.55	3.73	-40.02
COC1=CC2=NC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL300019936294	1	42	0.0	-14.14	335.66	3.69	-10.45
CCSC1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019936295	0	45	-1.0	-40.27	352.21	6.48	-33.79
CCSC1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019936295	1	45	-1.0	-40.22	352.38	6.47	-33.75
CCSC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936295	1	46	0.0	-12.88	346.35	6.14	-6.74
CC1=CC(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(C)=N1	REAL300019936296	0	43	-1.0	-42.52	347.47	5.37	-37.15
CC1=CC(CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC(C)=N1	REAL300019936296	1	43	-1.0	-42.47	347.64	5.37	-37.10
CC1=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=N1	REAL300019936296	1	44	0.0	-12.73	351.75	5.32	-7.41
CC1=CC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019936297	0	41	-1.0	-42.35	330.42	6.96	-35.39
CC1=CC2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019936297	1	41	-1.0	-42.33	330.59	6.97	-35.36
CC1=CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019936297	1	42	0.0	-11.55	334.77	6.93	-4.62
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936298	0	55	-1.0	-50.53	416.08	5.73	-44.80
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936298	1	55	-1.0	-50.50	416.24	5.73	-44.77
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936298	1	56	0.0	-17.52	420.47	5.68	-11.84
O=C(CCC1=CC=CC(=O)N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936299	0	38	-1.0	-48.79	314.05	2.72	-46.07
O=C(CCC1=CC=CC(=O)N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936299	1	38	-1.0	-48.77	314.22	2.71	-46.06
O=C(CCC1=CC=CC(=O)N1)N1CCN(C2=NNN=N2)CC1	REAL300019936299	1	39	0.0	-18.34	318.33	2.66	-15.68
O=C(C1=CSC(Cl)=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936300	0	29	-1.0	-43.13	285.69	4.21	-38.92
O=C(C1=CSC(Cl)=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936300	1	29	-1.0	-43.10	285.86	4.20	-38.90
O=C(C1=CSC(Cl)=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936300	1	30	0.0	-12.71	290.79	4.18	-8.53
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936301	0	44	-1.0	-51.17	355.41	3.51	-47.66
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936301	1	44	-1.0	-51.19	355.57	3.51	-47.68
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936301	1	45	0.0	-18.40	359.68	3.47	-14.93
CC1=NN(C2CCC2)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936302	0	42	-1.0	-43.67	330.43	4.31	-39.36
CC1=NN(C2CCC2)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936302	1	42	-1.0	-43.64	330.60	4.30	-39.34
CC1=NN(C2CCC2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936302	1	43	0.0	-13.79	334.71	4.26	-9.53
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936303	0	39	-1.0	-43.38	327.46	5.25	-38.13
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936303	1	39	-1.0	-43.38	327.62	5.26	-38.12
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936303	1	40	0.0	-13.85	331.92	5.22	-8.63
O=C(C1=CNC=C1Br)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936304	0	30	-1.0	-47.59	270.30	2.60	-44.99
O=C(C1=CNC=C1Br)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936304	1	30	-1.0	-47.58	270.46	2.60	-44.98
O=C(C1=CNC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019936304	1	31	0.0	-16.03	274.57	2.55	-13.48
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936305	0	42	-1.0	-51.58	361.18	4.06	-47.52
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936305	1	42	-1.0	-51.52	361.35	4.06	-47.46
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936305	1	43	0.0	-23.22	365.50	4.03	-19.19
CCC1=C(C)SC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936306	0	38	-1.0	-41.39	311.73	5.18	-36.21
CCC1=C(C)SC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936306	1	38	-1.0	-41.32	311.90	5.18	-36.14
CCC1=C(C)SC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936306	1	39	0.0	-10.02	316.00	5.13	-4.89
O=C(C1CC(OC(F)(F)F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936307	0	36	-1.0	-41.23	305.75	2.90	-38.33
O=C(C1CC(OC(F)(F)F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936307	1	36	-1.0	-41.18	305.91	2.89	-38.29
O=C(C1CC(OC(F)(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936307	1	37	0.0	-9.43	310.03	2.84	-6.59
CS(=O)(=O)C1=COC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936308	0	35	-1.0	-49.72	307.42	-0.21	-49.93
CS(=O)(=O)C1=COC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936308	1	35	-1.0	-49.70	307.59	-0.21	-49.91
CS(=O)(=O)C1=COC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936308	1	36	0.0	-19.23	311.69	-0.27	-19.50
O=C(CC1=CC=C2COCCC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936309	0	43	-1.0	-44.48	341.70	5.23	-39.25
O=C(CC1=CC=C2COCCC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936309	1	43	-1.0	-44.43	341.87	5.23	-39.20
O=C(CC1=CC=C2COCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936309	1	44	0.0	-13.78	345.97	5.15	-8.63
O=C(CC1=CC=C2CCOCC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936310	0	43	-1.0	-44.39	341.73	5.22	-39.17
O=C(CC1=CC=C2CCOCC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936310	1	43	-1.0	-44.32	341.90	5.21	-39.11
O=C(CC1=CC=C2CCOCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936310	1	44	0.0	-14.39	345.96	5.15	-9.24
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936311	0	41	-1.0	-41.37	338.33	5.66	-35.71
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936311	1	41	-1.0	-41.32	338.50	5.66	-35.66
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936311	1	42	0.0	-13.58	342.73	5.74	-7.84
CC1=NC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300019936312	0	34	-1.0	-40.10	297.35	4.29	-35.81
CC1=NC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300019936312	1	34	-1.0	-40.11	297.52	4.28	-35.83
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019936312	1	35	0.0	-8.32	301.63	4.24	-4.08
COC1=CC(Br)=CN=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936313	0	35	-1.0	-43.53	306.41	4.32	-39.21
COC1=CC(Br)=CN=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936313	1	35	-1.0	-43.52	306.57	4.31	-39.21
COC1=CC(Br)=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936313	1	36	0.0	-11.14	313.15	3.82	-7.32
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936314	0	41	-1.0	-51.96	344.68	1.65	-50.31
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936314	1	41	-1.0	-51.94	344.85	1.66	-50.28
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019936314	1	42	0.0	-20.93	348.95	1.61	-19.32
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936315	0	39	-1.0	-42.95	328.14	5.38	-37.57
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936315	1	39	-1.0	-42.92	328.31	5.38	-37.54
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936315	1	40	0.0	-11.60	332.41	5.33	-6.27
CCC1=CC=C(N2C=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)N=N2)C=C1	REAL300019936316	0	44	-1.0	-43.31	360.26	5.81	-37.50
CCC1=CC=C(N2C=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)N=N2)C=C1	REAL300019936316	1	44	-1.0	-43.29	360.43	5.80	-37.49
CCC1=CC=C(N2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=N2)C=C1	REAL300019936316	1	45	0.0	-10.37	364.53	5.76	-4.61
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019936317	0	47	-1.0	-44.65	391.67	3.50	-41.15
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019936317	1	47	-1.0	-44.60	391.83	3.49	-41.11
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936317	1	48	0.0	-15.17	395.79	3.44	-11.73
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936318	0	47	-1.0	-48.84	391.56	3.47	-45.37
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936318	1	47	-1.0	-48.81	391.73	3.47	-45.34
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936318	1	48	0.0	-18.35	396.72	3.46	-14.89
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936319	0	42	-1.0	-45.35	363.88	6.62	-38.73
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936319	1	42	-1.0	-45.32	364.04	6.61	-38.71
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936319	1	43	0.0	-12.65	368.15	6.57	-6.08
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CN(C)C1=O	REAL300019936320	0	38	-1.0	-45.53	313.05	3.72	-41.81
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CN(C)C1=O	REAL300019936320	1	38	-1.0	-45.49	313.22	3.71	-41.78
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CN(C)C1=O	REAL300019936320	1	39	0.0	-16.32	317.33	3.67	-12.65
O=C(CC1CCCC(F)(F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936321	0	41	-1.0	-42.19	318.98	5.53	-36.66
O=C(CC1CCCC(F)(F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936321	1	41	-1.0	-42.16	319.15	5.52	-36.64
O=C(CC1CCCC(F)(F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936321	1	42	0.0	-12.80	323.25	5.48	-7.32
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936322	0	53	-1.0	-41.47	395.47	8.70	-32.77
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936322	1	53	-1.0	-41.41	395.64	8.69	-32.72
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936322	1	54	0.0	-11.62	398.24	8.60	-3.02
O=C(CC1CC(C(F)F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936323	0	38	-1.0	-43.16	306.69	5.00	-38.16
O=C(CC1CC(C(F)F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936323	1	38	-1.0	-43.05	306.85	5.00	-38.05
O=C(CC1CC(C(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936323	1	39	0.0	-15.40	309.96	4.93	-10.47
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936324	0	43	-1.0	-42.80	348.68	5.83	-36.97
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936324	1	43	-1.0	-42.78	348.85	5.82	-36.96
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936324	1	44	0.0	-13.51	352.96	5.77	-7.74
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936325	0	40	-1.0	-47.33	337.37	4.17	-43.16
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936325	1	40	-1.0	-47.26	337.54	4.18	-43.08
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936325	1	41	0.0	-14.80	342.17	4.14	-10.66
CC1(C)CCC(=O)C2=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CC=C21	REAL300019936326	0	47	-1.0	-48.53	362.09	6.51	-42.02
CC1(C)CCC(=O)C2=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CC=C21	REAL300019936326	1	47	-1.0	-48.50	362.26	6.51	-41.99
CC1(C)CCC(=O)C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019936326	1	48	0.0	-17.85	366.36	6.46	-11.39
CC1=CC(Cl)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL300019936327	0	32	-1.0	-41.94	290.24	4.40	-37.54
CC1=CC(Cl)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL300019936327	1	32	-1.0	-41.93	290.41	4.40	-37.53
CC1=CC(Cl)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019936327	1	33	0.0	-11.53	294.50	4.35	-7.18
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936328	0	34	-1.0	-39.47	316.22	4.33	-35.14
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936328	1	34	-1.0	-39.45	316.39	4.32	-35.13
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019936328	1	35	0.0	-9.79	320.50	4.28	-5.51
O=C(C1CCC(=O)N(C2CC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936329	0	43	-1.0	-43.79	333.49	3.98	-39.81
O=C(C1CCC(=O)N(C2CC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936329	1	43	-1.0	-43.77	333.66	3.97	-39.80
O=C(C1CCC(=O)N(C2CC2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936329	1	44	0.0	-15.34	337.63	3.93	-11.41
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936330	0	48	-1.0	-44.00	372.02	3.96	-40.04
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936330	1	48	-1.0	-43.96	372.19	3.95	-40.01
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936330	1	49	0.0	-14.07	376.25	3.90	-10.17
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936331	0	45	-1.0	-44.81	359.92	5.59	-39.22
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936331	1	45	-1.0	-44.73	360.08	5.58	-39.15
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936331	1	46	0.0	-14.77	364.12	5.53	-9.24
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936332	0	39	-1.0	-42.22	336.17	6.89	-35.33
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936332	1	39	-1.0	-42.23	336.34	6.88	-35.35
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019936332	1	40	0.0	-11.39	340.16	6.84	-4.55
N#CC1=CN=C(Cl)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936333	0	32	-1.0	-43.76	294.38	3.05	-40.71
N#CC1=CN=C(Cl)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936333	1	32	-1.0	-43.75	294.55	3.04	-40.71
N#CC1=CN=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936333	1	33	0.0	-14.12	299.17	3.01	-11.11
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936334	0	37	-1.0	-58.74	304.85	2.48	-56.26
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936334	1	37	-1.0	-58.78	305.02	2.47	-56.31
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCN(C2=NNN=N2)CC1	REAL300019936334	1	38	0.0	-24.80	309.12	2.42	-22.38
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936335	0	42	-1.0	-43.38	342.36	3.83	-39.55
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936335	1	42	-1.0	-43.33	342.52	3.83	-39.50
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936335	1	43	0.0	-17.65	347.14	3.81	-13.84
CCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300019936336	0	38	-1.0	-41.87	319.41	5.91	-35.96
CCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300019936336	1	38	-1.0	-41.86	319.58	5.90	-35.96
CCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019936336	1	39	0.0	-11.47	323.68	5.86	-5.61
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936337	0	46	-1.0	-41.66	366.01	3.06	-38.60
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COC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019936372	0	41	-1.0	-45.24	347.41	4.45	-40.79
COC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL300019936372	1	41	-1.0	-45.23	347.58	4.44	-40.79
COC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936372	1	42	0.0	-15.51	351.68	4.39	-11.12
CC1=C(C)NC(=O)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936373	0	38	-1.0	-56.26	312.17	2.37	-53.89
CC1=C(C)NC(=O)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936373	1	38	-1.0	-56.24	312.34	2.36	-53.88
CC1=C(C)NC(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936373	1	39	0.0	-22.11	316.45	2.32	-19.79
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936374	0	41	-1.0	-42.44	343.85	6.61	-35.83
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936374	1	41	-1.0	-42.41	344.01	6.61	-35.80
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936374	1	42	0.0	-13.53	348.12	6.57	-6.96
CC(CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C(F)C(F)=C1	REAL300019936375	0	41	-1.0	-43.61	335.52	6.46	-37.15
CC(CC(=O)N1CCN(C2=N[N-]N=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300019936375	1	41	-1.0	-43.56	335.69	6.46	-37.10
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300019936375	1	42	0.0	-13.65	339.78	6.42	-7.23
CC(C)(C)N1C=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019936376	0	44	-1.0	-45.30	350.79	4.93	-40.37
CC(C)(C)N1C=C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C=N1	REAL300019936376	1	44	-1.0	-45.23	350.96	4.92	-40.31
CC(C)(C)N1C=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936376	1	45	0.0	-15.95	355.08	4.88	-11.07
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936377	0	39	-1.0	-48.06	328.58	4.19	-43.87
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936377	1	39	-1.0	-48.03	328.74	4.18	-43.85
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936377	1	40	0.0	-15.50	332.85	4.14	-11.36
CC1=CC=C(C2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)CC2)C(F)=C1	REAL300019936378	0	42	-1.0	-45.56	338.75	6.68	-38.88
CC1=CC=C(C2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)CC2)C(F)=C1	REAL300019936378	1	42	-1.0	-45.52	338.91	6.67	-38.85
CC1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)C(F)=C1	REAL300019936378	1	43	0.0	-15.65	343.02	6.62	-9.03
CCCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)N=NN1CC	REAL300019936379	0	43	-1.0	-44.33	337.49	3.71	-40.62
CCCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N=NN1CC	REAL300019936379	1	43	-1.0	-44.28	337.65	3.70	-40.58
CCCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1CC	REAL300019936379	1	44	0.0	-10.54	341.76	3.66	-6.88
CCC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC(C2=NNC=N2)=N1	REAL300019936380	0	40	-1.0	-46.76	342.95	3.39	-43.37
CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)SC(C2=NNC=N2)=N1	REAL300019936380	1	40	-1.0	-46.71	343.12	3.38	-43.33
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=NNC=N2)=N1	REAL300019936380	1	41	0.0	-16.78	348.51	3.38	-13.40
O=C(NC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1)N1CCCCC1	REAL300019936381	0	51	-1.0	-43.77	390.81	6.15	-37.62
O=C(NC1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1)N1CCCCC1	REAL300019936381	1	51	-1.0	-43.74	390.98	6.15	-37.59
O=C(NC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1)N1CCCCC1	REAL300019936381	1	52	0.0	-14.47	396.09	6.12	-8.35
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936382	0	41	-1.0	-43.88	358.17	5.25	-38.63
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936382	1	41	-1.0	-43.83	358.34	5.24	-38.59
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936383	0	35	-1.0	-41.82	311.30	4.34	-37.48
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936383	1	35	-1.0	-41.79	311.47	4.33	-37.46
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936384	0	42	-1.0	-44.97	340.63	5.11	-39.86
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936384	1	42	-1.0	-45.00	340.79	5.10	-39.90
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936384	1	43	0.0	-12.91	344.90	5.05	-7.86
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936385	0	44	-1.0	-46.81	361.27	2.78	-44.03
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936385	1	44	-1.0	-46.78	361.43	2.78	-44.00
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936385	1	45	0.0	-14.02	365.58	2.75	-11.27
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936386	0	45	-1.0	-48.66	374.45	6.69	-41.97
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936386	1	45	-1.0	-48.60	374.62	6.68	-41.92
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936386	1	46	0.0	-17.75	378.72	6.64	-11.11
CC1=NNC2=C1CC(C(=O)N1CCN(C3=NN=N[N-]3)CC1)CC2	REAL300019936387	0	42	-1.0	-44.79	327.93	3.60	-41.19
CC1=NNC2=C1CC(C(=O)N1CCN(C3=N[N-]N=N3)CC1)CC2	REAL300019936387	1	42	-1.0	-44.78	328.10	3.59	-41.19
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936388	0	43	-1.0	-46.18	347.85	4.31	-41.87
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936388	1	43	-1.0	-46.17	348.02	4.31	-41.86
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936388	1	44	0.0	-16.86	352.08	4.24	-12.62
CSC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300019936389	0	38	-1.0	-42.15	327.40	5.65	-36.50
CSC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019936389	1	38	-1.0	-42.13	327.57	5.64	-36.49
CSC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019936389	1	39	0.0	-14.21	331.67	5.60	-8.61
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936390	0	42	-1.0	-47.26	330.76	5.61	-41.65
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936390	1	42	-1.0	-47.18	330.92	5.62	-41.56
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936390	1	43	0.0	-17.21	335.02	5.58	-11.63
C=C1CCC1(C(=O)OC)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936391	0	39	-1.0	-39.80	317.34	4.13	-35.67
C=C1CCC1(C(=O)OC)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936391	1	39	-1.0	-39.79	317.51	4.12	-35.67
C=C1CCC1(C(=O)OC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936391	1	40	0.0	-10.16	321.61	4.08	-6.08
NS(=O)(=O)C1=COC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936392	0	34	-1.0	-47.90	300.82	-2.79	-50.69
NS(=O)(=O)C1=COC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936392	1	34	-1.0	-47.86	300.99	-2.78	-50.64
NS(=O)(=O)C1=COC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936392	1	35	0.0	-18.20	305.46	-2.71	-20.91
N#CC1=CC2=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=NN2C=C1	REAL300019936393	0	36	-1.0	-46.81	313.17	4.27	-42.54
N#CC1=CC2=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=NN2C=C1	REAL300019936393	1	36	-1.0	-46.75	313.34	4.27	-42.48
N#CC1=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=NN2C=C1	REAL300019936393	1	37	0.0	-16.02	316.61	4.20	-11.82
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936394	0	38	-1.0	-44.79	339.90	6.37	-38.42
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936394	1	38	-1.0	-44.78	340.06	6.36	-38.42
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936394	1	39	0.0	-14.35	344.17	6.32	-8.03
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936395	0	42	-1.0	-43.35	349.37	5.45	-37.90
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936395	1	42	-1.0	-43.29	349.54	5.44	-37.85
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCN(C2=NNN=N2)CC1	REAL300019936395	1	43	0.0	-16.24	353.30	5.36	-10.88
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936396	0	46	-1.0	-49.30	363.93	3.11	-46.19
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936396	1	46	-1.0	-49.25	364.10	3.10	-46.15
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936396	1	47	0.0	-20.43	367.27	3.03	-17.40
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936397	0	36	-1.0	-41.41	313.71	3.27	-38.14
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936397	1	36	-1.0	-41.34	313.88	3.26	-38.08
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936397	1	37	0.0	-10.37	317.75	3.23	-7.14
C[C@@H]1CC2=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)NN=C2[C@H](C)O1	REAL300019936398	0	43	-1.0	-40.02	343.78	2.22	-37.80
C[C@@H]1CC2=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)NN=C2[C@H](C)O1	REAL300019936398	1	43	-1.0	-39.91	343.94	2.21	-37.70
C[C@@H]1CC2=C(NN=C2C(=O)N2CCN(C3=N[N-]N=N3)CC2)[C@H](C)O1	REAL300019936398	1	43	-1.0	-43.46	338.59	2.64	-40.82
O=C(CCC1=C(Br)C=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936399	0	35	-1.0	-40.27	319.08	5.56	-34.71
O=C(CCC1=C(Br)C=CS1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936399	1	35	-1.0	-40.24	319.25	5.56	-34.68
O=C(CCC1=C(Br)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019936399	1	36	0.0	-10.34	323.32	5.50	-4.84
O=C(CCNC1=CN=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936400	0	38	-1.0	-45.04	312.92	2.10	-42.94
O=C(CCNC1=CN=CN=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936400	1	38	-1.0	-44.99	313.09	2.10	-42.89
O=C(CCNC1=CN=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936400	1	39	0.0	-15.99	317.19	2.05	-13.94
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936401	0	38	-1.0	-47.26	331.35	5.25	-42.01
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936401	1	38	-1.0	-47.23	331.52	5.24	-41.99
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936402	0	53	-1.0	-45.92	397.47	7.15	-38.77
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936402	1	53	-1.0	-45.86	397.63	7.14	-38.72
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936402	1	54	0.0	-16.53	402.56	7.15	-9.38
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936403	0	41	-1.0	-45.85	343.19	5.73	-40.12
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936403	1	41	-1.0	-45.86	343.36	5.72	-40.14
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936403	1	42	0.0	-11.89	348.26	5.47	-6.42
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936404	0	39	-1.0	-44.98	339.10	5.21	-39.77
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936404	1	39	-1.0	-44.99	339.27	5.21	-39.78
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O=C(C1CCCC(F)(F)CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936405	1	41	-1.0	-41.25	313.20	5.07	-36.18
O=C(C1CCCC(F)(F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936405	1	42	0.0	-11.64	317.31	5.02	-6.62
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936406	0	39	-1.0	-43.74	316.31	3.63	-40.11
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936406	1	39	-1.0	-43.70	316.48	3.62	-40.08
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936406	1	40	0.0	-13.73	320.58	3.58	-10.15
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936407	0	40	-1.0	-50.06	333.05	5.77	-44.29
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936407	1	40	-1.0	-50.00	333.21	5.76	-44.24
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019936407	1	41	0.0	-25.08	337.32	5.72	-19.36
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936408	0	39	-1.0	-43.86	324.27	6.31	-37.55
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936408	1	39	-1.0	-43.80	324.44	6.30	-37.50
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936408	1	40	0.0	-12.37	329.33	6.29	-6.08
O=C(CCCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1)NC1=CC=CC=C1	REAL300019936409	0	51	-1.0	-51.03	407.38	6.52	-44.51
O=C(CCCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1)NC1=CC=CC=C1	REAL300019936409	1	51	-1.0	-50.99	407.54	6.52	-44.47
O=C(CCCCCC(=O)N1CCN(C2=NNN=N2)CC1)NC1=CC=CC=C1	REAL300019936409	1	52	0.0	-21.20	411.69	6.49	-14.71
O=C(C1CCC2=CC=NN2C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936410	0	39	-1.0	-44.28	308.76	3.57	-40.71
O=C(C1CCC2=CC=NN2C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936410	1	39	-1.0	-44.19	308.93	3.56	-40.63
O=C(C1CCC2=CC=NN2C1)N1CCN(C2=NNN=N2)CC1	REAL300019936410	1	40	0.0	-13.27	313.03	3.52	-9.75
O=C(C1=C2C=NSC2=CC=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936411	0	34	-1.0	-44.98	294.13	4.15	-40.83
O=C(C1=C2C=NSC2=CC=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936411	1	34	-1.0	-44.98	294.29	4.14	-40.84
O=C(C1=C2C=NSC2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936411	1	35	0.0	-14.41	298.40	4.09	-10.32
O=C(C1=CC=CC2=NON=C21)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936412	0	33	-1.0	-50.37	280.27	2.95	-47.42
O=C(C1=CC=CC2=NON=C21)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936412	1	33	-1.0	-50.29	280.43	2.94	-47.35
O=C(C1=CC=CC2=NON=C21)N1CCN(C2=NNN=N2)CC1	REAL300019936412	1	34	0.0	-19.50	284.54	2.89	-16.61
CS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300019936413	0	38	-1.0	-49.27	339.11	2.11	-47.16
CS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300019936413	1	38	-1.0	-49.29	339.27	2.11	-47.18
CS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019936413	1	39	0.0	-20.60	344.61	2.11	-18.49
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936414	0	38	-1.0	-43.82	336.76	6.08	-37.74
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936414	1	38	-1.0	-43.85	336.93	6.08	-37.77
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936414	1	39	0.0	-13.47	341.04	6.03	-7.44
NC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C(F)C(Br)=C1F	REAL300019936415	0	34	-1.0	-37.71	307.54	2.85	-34.86
NC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C(F)C(Br)=C1F	REAL300019936415	1	34	-1.0	-37.69	307.70	2.85	-34.84
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(F)C(Br)=C1F	REAL300019936415	1	35	0.0	-8.98	311.89	2.83	-6.15
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC(C2CC2)=NO1	REAL300019936416	0	40	-1.0	-40.80	319.18	3.90	-36.90
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC(C2CC2)=NO1	REAL300019936416	1	40	-1.0	-40.75	319.34	3.90	-36.85
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C2CC2)=NO1	REAL300019936416	1	41	0.0	-9.53	323.46	3.86	-5.67
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL300019936417	0	48	-1.0	-42.32	387.32	2.55	-39.77
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NO1	REAL300019936417	1	48	-1.0	-42.27	387.48	2.55	-39.72
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019936417	1	49	0.0	-11.30	391.59	2.51	-8.79
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936418	0	37	-1.0	-40.05	317.70	5.12	-34.93
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936418	1	37	-1.0	-39.98	317.86	5.12	-34.86
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936418	1	38	0.0	-8.86	324.73	4.91	-3.95
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019936419	0	39	-1.0	-43.23	324.86	6.19	-37.04
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019936419	1	39	-1.0	-43.19	325.02	6.18	-37.01
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019936419	1	40	0.0	-14.63	328.05	6.07	-8.56
CN(C)C1=CC2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019936420	0	46	-1.0	-43.69	362.18	6.76	-36.93
CN(C)C1=CC2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019936420	1	46	-1.0	-43.67	362.35	6.75	-36.92
CN(C)C1=CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019936420	1	47	0.0	-12.50	366.46	6.70	-5.80
COC1(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019936421	0	53	-1.0	-51.58	410.31	3.22	-48.36
COC1(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019936421	1	53	-1.0	-51.50	410.48	3.22	-48.28
COC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019936421	1	54	0.0	-20.21	414.28	4.18	-16.03
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(CC2=NNN=C2)CCCC1	REAL300019936422	0	44	-1.0	-46.45	331.35	2.82	-43.63
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(CC2=NNN=C2)CCCC1	REAL300019936422	1	44	-1.0	-46.36	331.51	2.81	-43.55
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936423	0	53	-1.0	-43.01	401.67	6.22	-36.79
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936423	1	53	-1.0	-42.97	401.83	6.21	-36.76
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936423	1	54	0.0	-12.13	405.26	6.13	-6.00
C#CC1=CC=C(C2CC2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019936424	0	41	-1.0	-42.65	342.63	7.62	-35.03
C#CC1=CC=C(C2CC2C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019936424	1	41	-1.0	-42.60	342.79	7.62	-34.98
C#CC1=CC=C(C2CC2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936424	1	42	0.0	-13.05	346.88	7.57	-5.48
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C=N1	REAL300019936425	0	40	-1.0	-44.15	327.64	5.15	-39.00
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C=N1	REAL300019936425	1	40	-1.0	-44.12	327.81	5.15	-38.97
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2C=N1	REAL300019936425	1	41	0.0	-12.43	331.92	5.12	-7.31
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2CCC2)CC1(F)F	REAL300019936426	0	39	-1.0	-39.54	305.50	5.24	-34.30
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2CCC2)CC1(F)F	REAL300019936426	1	39	-1.0	-39.55	305.66	5.24	-34.31
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCC2)CC1(F)F	REAL300019936426	1	40	0.0	-14.53	314.41	5.54	-8.99
CN1N=CC2=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C(C3CC3)N=C21	REAL300019936427	0	44	-1.0	-43.34	357.55	5.24	-38.10
CN1N=CC2=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C(C3CC3)N=C21	REAL300019936427	1	44	-1.0	-43.26	357.72	5.23	-38.03
CN1N=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C(C3CC3)N=C21	REAL300019936427	1	45	0.0	-14.03	361.82	5.19	-8.84
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019936428	0	42	-1.0	-40.22	328.64	5.46	-34.76
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019936428	1	42	-1.0	-40.17	328.81	5.46	-34.71
O=C(N1CCN(C2=NNN=N2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019936428	1	43	0.0	-11.60	332.91	5.42	-6.18
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936429	0	52	-1.0	-53.77	393.54	3.39	-50.38
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936429	1	52	-1.0	-53.74	393.71	3.38	-50.36
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936429	1	53	0.0	-17.17	400.92	3.46	-13.71
COC1=CC=C(C=CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(OC)=C1OC	REAL300019936430	0	48	-1.0	-45.70	389.45	4.85	-40.85
COC1=CC=C(C=CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C(OC)=C1OC	REAL300019936430	1	48	-1.0	-45.67	389.61	4.84	-40.83
COC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=C1OC	REAL300019936430	1	49	0.0	-16.70	393.72	4.80	-11.90
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936431	0	48	-1.0	-47.81	373.26	3.84	-43.97
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936431	1	48	-1.0	-47.80	373.42	3.83	-43.97
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936431	1	49	0.0	-15.56	377.30	3.76	-11.80
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC(C)(C)C1	REAL300019936432	0	58	-1.0	-43.78	427.79	4.24	-39.54
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC(C)(C)C1	REAL300019936432	1	58	-1.0	-43.74	427.95	4.24	-39.50
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C)(C)C1	REAL300019936432	1	59	0.0	-11.24	431.80	4.25	-6.99
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)(C2CC2)C1	REAL300019936433	0	56	-1.0	-49.08	409.07	6.00	-43.08
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)(C2CC2)C1	REAL300019936433	1	56	-1.0	-49.01	409.24	5.99	-43.02
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)(C2CC2)C1	REAL300019936433	1	57	0.0	-19.57	413.34	5.95	-13.62
O=C(C1=C2C(=O)NCCN2N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936434	0	37	-1.0	-54.05	303.09	0.29	-53.76
O=C(C1=C2C(=O)NCCN2N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936434	1	37	-1.0	-54.04	303.26	0.28	-53.76
O=C(C1=C2C(=O)NCCN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936434	1	38	0.0	-21.45	307.36	0.24	-21.21
CC=CC1=CC=C(OCC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300019936435	0	47	-1.0	-48.15	378.94	6.77	-41.38
CC=CC1=CC=C(OCC(=O)N2CCN(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300019936435	1	47	-1.0	-48.10	379.11	6.77	-41.33
CC=CC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=C1	REAL300019936435	1	48	0.0	-18.65	383.18	6.71	-11.94
O=C(C1CC(=O)CC12CCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936436	0	41	-1.0	-46.89	311.91	5.06	-41.83
O=C(C1CC(=O)CC12CCC2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936436	1	41	-1.0	-46.88	312.08	5.05	-41.83
O=C(C1CC(=O)CC12CCC2)N1CCN(C2=NNN=N2)CC1	REAL300019936436	1	42	0.0	-11.81	317.07	4.73	-7.08
CC1=CNC2=NC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C12	REAL300019936437	0	38	-1.0	-44.28	311.00	4.03	-40.25
CC1=CNC2=NC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C12	REAL300019936437	1	38	-1.0	-44.23	311.17	4.02	-40.21
CC1=CNC2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019936437	1	39	0.0	-13.73	315.27	3.98	-9.75
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936438	0	56	-1.0	-47.81	427.77	3.83	-43.98
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936438	1	56	-1.0	-47.77	427.94	3.83	-43.94
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936438	1	57	0.0	-17.58	432.05	3.79	-13.79
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936439	0	56	-1.0	-45.90	407.65	5.66	-40.24
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936439	1	56	-1.0	-45.88	407.82	5.65	-40.23
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936439	1	57	0.0	-14.65	410.02	5.48	-9.17
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936440	0	39	-1.0	-44.82	327.56	2.79	-42.03
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936440	1	39	-1.0	-44.77	327.72	2.78	-41.99
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936440	1	40	0.0	-14.23	331.83	2.74	-11.49
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936441	0	49	-1.0	-45.03	365.44	6.66	-38.37
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936441	1	49	-1.0	-45.04	365.61	6.65	-38.39
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936441	1	50	0.0	-11.83	378.98	6.86	-4.97
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CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1Br	REAL300019936466	1	35	0.0	-9.21	301.98	4.15	-5.06
CN(C)C1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300019936467	0	42	-1.0	-42.06	344.36	5.39	-36.67
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COC(=O)C1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936469	1	36	0.0	-16.48	312.67	3.62	-12.86
CC(C)(C)C1=CN=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936470	0	43	-1.0	-40.76	333.09	4.46	-36.30
CC(C)(C)C1=CN=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936470	1	43	-1.0	-40.72	333.25	4.45	-36.27
CC(C)(C)C1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936470	1	44	0.0	-10.07	337.36	4.41	-5.66
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N#CC1=CC=C(C2=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=CO2)C=C1	REAL300019936472	1	40	0.0	-16.23	348.22	3.07	-13.16
COC1CC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1(C)C	REAL300019936473	0	45	-1.0	-40.91	345.21	4.27	-36.64
COC1CC(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1(C)C	REAL300019936473	1	45	-1.0	-40.84	345.38	4.26	-36.58
COC1CC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019936473	1	46	0.0	-11.02	349.48	4.22	-6.80
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936474	0	56	-1.0	-50.27	420.15	6.65	-43.62
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936474	1	56	-1.0	-50.30	420.31	6.64	-43.66
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936474	1	57	0.0	-12.56	420.66	6.16	-6.40
CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019936475	0	42	-1.0	-40.13	349.22	6.22	-33.91
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019936475	1	42	-1.0	-40.04	349.39	6.21	-33.83
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019936475	1	43	0.0	-9.29	353.50	6.17	-3.12
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936476	0	52	-1.0	-39.76	400.94	3.82	-35.94
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936476	1	52	-1.0	-39.74	401.10	3.81	-35.93
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936476	1	53	0.0	-10.56	405.21	3.77	-6.79
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=NN21	REAL300019936477	0	46	-1.0	-50.52	360.86	5.52	-45.00
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=NN21	REAL300019936477	1	46	-1.0	-50.48	361.03	5.52	-44.96
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=NN21	REAL300019936477	1	47	0.0	-18.18	365.11	5.47	-12.71
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CCCN1C(=O)CCCC2	REAL300019936478	0	46	-1.0	-48.24	334.58	3.98	-44.26
O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCCN1C(=O)CCCC2	REAL300019936478	1	46	-1.0	-48.24	334.75	3.97	-44.27
O=C(N1CCN(C2=NNN=N2)CC1)C12CCCN1C(=O)CCCC2	REAL300019936478	1	47	0.0	-20.85	338.86	3.93	-16.92
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019936479	0	42	-1.0	-42.92	340.37	7.01	-35.91
O=C(N1CCN(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019936479	1	42	-1.0	-42.86	340.54	7.00	-35.86
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019936479	1	43	0.0	-11.10	345.44	6.78	-4.32
O=C(C1CCC2(CC2(F)F)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936480	0	39	-1.0	-45.05	310.49	5.27	-39.78
O=C(C1CCC2(CC2(F)F)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936480	1	39	-1.0	-45.01	310.66	5.27	-39.74
O=C(C1CCC2(CC2(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936480	1	40	0.0	-12.08	316.39	5.26	-6.82
O=C(C1CCCC2C1C2(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936481	0	39	-1.0	-40.08	305.28	5.13	-34.95
O=C(C1CCCC2C1C2(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936481	1	39	-1.0	-40.06	305.45	5.13	-34.93
O=C(C1CCCC2C1C2(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936481	1	40	0.0	-10.02	308.99	5.06	-4.96
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936482	0	43	-1.0	-44.40	338.74	5.99	-38.41
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936482	1	43	-1.0	-44.31	338.91	5.98	-38.33
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936482	1	44	0.0	-14.58	342.97	5.67	-8.91
O=C(CCC1=CC=CC(Br)=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936483	0	38	-1.0	-42.08	335.46	6.56	-35.52
O=C(CCC1=CC=CC(Br)=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936483	1	38	-1.0	-42.01	335.63	6.56	-35.45
O=C(CCC1=CC=CC(Br)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936483	1	39	0.0	-12.87	339.69	6.50	-6.37
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936484	0	50	-1.0	-38.96	335.42	6.35	-32.61
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936484	1	50	-1.0	-38.93	335.60	6.35	-32.58
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936484	1	51	0.0	-8.10	338.33	6.55	-1.55
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C[C@@H]12	REAL300019936485	0	50	-1.0	-42.81	390.66	3.74	-39.07
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C[C@@H]12	REAL300019936485	1	50	-1.0	-42.79	390.82	3.74	-39.05
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(C4=NNN=N4)CC3)C[C@@H]12	REAL300019936485	1	51	0.0	-12.95	394.29	3.68	-9.27
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C(F)F)=NN1C	REAL300019936486	0	38	-1.0	-48.01	322.57	3.29	-44.72
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C(F)F)=NN1C	REAL300019936486	1	38	-1.0	-47.94	322.74	3.29	-44.65
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)F)=NN1C	REAL300019936486	1	39	0.0	-16.43	326.65	3.21	-13.22
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936487	0	43	-1.0	-50.24	337.73	3.12	-47.12
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936487	1	43	-1.0	-50.26	337.90	3.11	-47.15
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936487	1	44	0.0	-21.70	341.30	3.09	-18.61
CCC1=CC=C(C(=O)C(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL300019936488	0	37	-1.0	-39.31	316.06	4.71	-34.60
CCC1=CC=C(C(=O)C(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL300019936488	1	37	-1.0	-39.24	316.23	4.70	-34.54
CCC1=CC=C(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019936488	1	38	0.0	-7.41	320.33	4.65	-2.76
COC1=CC(Br)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1F	REAL300019936489	0	36	-1.0	-41.26	319.19	4.11	-37.15
COC1=CC(Br)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1F	REAL300019936489	1	36	-1.0	-41.23	319.36	4.10	-37.13
COC1=CC(Br)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019936489	1	37	0.0	-10.50	322.30	4.00	-6.50
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936490	0	50	-1.0	-42.88	388.47	3.67	-39.21
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936490	1	50	-1.0	-42.81	388.64	3.66	-39.15
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936490	1	51	0.0	-12.72	392.74	3.62	-9.10
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936491	0	53	-1.0	-48.33	403.03	5.39	-42.94
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936491	1	53	-1.0	-48.28	403.20	5.39	-42.89
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936491	1	54	0.0	-17.59	407.29	5.35	-12.24
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C12COC2	REAL300019936492	0	54	-1.0	-45.38	401.34	3.76	-41.62
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C12COC2	REAL300019936492	1	54	-1.0	-45.29	401.51	3.75	-41.54
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C12COC2	REAL300019936492	1	55	0.0	-20.26	405.29	3.90	-16.36
O=C(C1=CC(C2CCCC2)=NN1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936493	0	42	-1.0	-39.64	327.06	4.03	-35.61
O=C(C1=CC(C2CCCC2)=NN1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936493	1	42	-1.0	-39.61	327.22	4.02	-35.59
CC1(C)OC2=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CC=C2NC1=O	REAL300019936494	0	44	-1.0	-42.01	354.02	2.66	-39.35
CC1(C)OC2=CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CC=C2NC1=O	REAL300019936494	1	44	-1.0	-41.95	354.19	2.65	-39.30
CC1(C)OC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2NC1=O	REAL300019936494	1	45	0.0	-12.80	358.29	2.61	-10.19
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936495	0	40	-1.0	-44.57	321.52	3.22	-41.35
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936495	1	40	-1.0	-44.56	321.69	3.22	-41.34
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCN(C2=NNN=N2)CC1	REAL300019936495	1	41	0.0	-14.56	325.79	3.17	-11.39
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C21	REAL300019936496	0	40	-1.0	-46.15	337.20	2.99	-43.16
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C21	REAL300019936496	1	40	-1.0	-46.07	337.37	2.98	-43.09
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019936496	1	41	0.0	-13.62	342.11	2.95	-10.67
COC(=O)C1=CC=CC2=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=CC=C12	REAL300019936497	0	44	-1.0	-43.80	356.76	6.82	-36.98
COC(=O)C1=CC=CC2=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=CC=C12	REAL300019936497	1	44	-1.0	-43.75	356.93	6.81	-36.94
COC(=O)C1=CC=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C12	REAL300019936497	1	45	0.0	-13.14	361.03	6.77	-6.37
O=C(C1=CN=CC2=C1CCNC2=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936498	0	39	-1.0	-41.67	315.67	0.61	-41.06
O=C(C1=CN=CC2=C1CCNC2=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936498	1	39	-1.0	-41.61	315.84	0.60	-41.01
O=C(C1=CN=CC2=C1CCNC2=O)N1CCN(C2=NNN=N2)CC1	REAL300019936498	1	40	0.0	-13.64	319.75	0.54	-13.10
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NC=C1C(F)F	REAL300019936499	0	37	-1.0	-42.98	307.97	4.55	-38.43
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=NC=C1C(F)F	REAL300019936499	1	37	-1.0	-42.96	308.13	4.55	-38.41
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NC=C1C(F)F	REAL300019936499	1	38	0.0	-11.71	312.26	4.51	-7.20
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936500	0	40	-1.0	-48.49	329.89	2.29	-46.20
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936500	1	40	-1.0	-48.44	330.06	2.28	-46.16
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCN(C2=NNN=N2)CC1	REAL300019936500	1	41	0.0	-18.63	334.11	2.23	-16.40
CN(C)C(=O)C1=CN=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936501	0	41	-1.0	-48.14	326.65	1.86	-46.28
CN(C)C(=O)C1=CN=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019936501	1	41	-1.0	-48.08	326.82	1.87	-46.21
CN(C)C(=O)C1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936501	1	42	0.0	-14.17	332.55	1.99	-12.18
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936502	0	36	-1.0	-46.40	314.89	4.05	-42.35
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936502	1	36	-1.0	-46.38	315.06	4.05	-42.33
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936502	1	37	0.0	-12.11	319.16	4.01	-8.10
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936503	0	52	-1.0	-41.69	405.53	1.96	-39.73
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936503	1	52	-1.0	-41.64	405.70	1.95	-39.69
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936503	1	53	0.0	-11.83	409.36	1.89	-9.94
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936504	0	55	-1.0	-47.27	411.38	5.59	-41.68
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936504	1	55	-1.0	-47.19	411.54	5.60	-41.59
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936504	1	56	0.0	-17.41	415.65	5.55	-11.86
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936505	0	52	-1.0	-42.90	393.21	3.27	-39.63
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936505	1	52	-1.0	-42.89	393.37	3.27	-39.62
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936505	1	53	0.0	-12.40	397.37	3.24	-9.16
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936506	0	53	-1.0	-46.41	408.95	4.58	-41.83
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936506	1	53	-1.0	-46.38	409.11	4.57	-41.81
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936506	1	54	0.0	-14.28	413.22	4.53	-9.75
COC1=CC=CC=C1OC(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936507	0	43	-1.0	-48.06	340.13	5.11	-42.95
COC1=CC=CC=C1OC(C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936507	1	43	-1.0	-48.01	340.29	5.12	-42.89
COC1=CC=CC=C1OC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936507	1	44	0.0	-18.05	344.51	5.06	-12.99
CC1=C(Cl)C=NN1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936508	0	35	-1.0	-46.58	305.48	3.44	-43.14
CC1=C(Cl)C=NN1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936508	1	35	-1.0	-46.57	305.65	3.43	-43.14
CC1=C(Cl)C=NN1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936508	1	36	0.0	-16.93	309.72	3.37	-13.56
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C12CCC2	REAL300019936509	0	56	-1.0	-42.26	407.24	5.30	-36.96
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C12CCC2	REAL300019936509	1	56	-1.0	-42.19	407.40	5.29	-36.90
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C12CCC2	REAL300019936509	1	57	0.0	-13.54	410.49	5.23	-8.31
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936510	0	46	-1.0	-49.27	362.95	3.07	-46.20
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CCC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)N2C=C(C)SC2=N1	REAL300019936512	1	41	-1.0	-42.98	350.13	5.95	-37.03
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N2C=C(C)SC2=N1	REAL300019936512	1	42	0.0	-13.01	354.23	5.90	-7.11
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CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936514	0	53	-1.0	-51.40	396.15	6.33	-45.07
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936514	1	53	-1.0	-51.40	396.32	6.32	-45.08
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936514	1	54	0.0	-18.13	402.02	5.63	-12.50
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CC1=CC(F)=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300019936516	0	37	-1.0	-42.43	314.53	5.37	-37.06
CC1=CC(F)=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300019936516	1	37	-1.0	-42.36	314.70	5.36	-37.00
CC1=CC(F)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019936516	1	38	0.0	-11.92	317.76	5.28	-6.64
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CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936529	1	46	0.0	-10.32	364.93	2.76	-7.56
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CC1=CC2=C(OCC2)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019936532	0	40	-1.0	-46.94	322.70	4.69	-42.25
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COC1CC2(C1)CC(C(=O)N1CCN(C3=NN=N[N-]3)CC1)C2	REAL300019936534	0	43	-1.0	-41.28	335.91	4.16	-37.12
COC1CC2(C1)CC(C(=O)N1CCN(C3=N[N-]N=N3)CC1)C2	REAL300019936534	1	43	-1.0	-41.28	336.08	4.15	-37.13
COC1CC2(C1)CC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019936534	1	44	0.0	-11.60	340.19	4.11	-7.49
CC(C)OCC1=CC=CC=C1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936535	0	48	-1.0	-43.35	379.43	6.61	-36.74
CC(C)OCC1=CC=CC=C1CC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936535	1	48	-1.0	-43.30	379.60	6.61	-36.69
CC(C)OCC1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936535	1	49	0.0	-13.73	383.60	6.54	-7.19
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CC1(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1C(F)(F)F	REAL300019936538	0	35	-1.0	-44.67	285.06	4.18	-40.49
CC1(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1C(F)(F)F	REAL300019936538	1	35	-1.0	-44.68	285.23	4.18	-40.50
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1C(F)(F)F	REAL300019936538	1	36	0.0	-14.41	289.33	4.14	-10.27
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CC12CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)(CO1)CCC2	REAL300019936540	0	43	-1.0	-40.84	311.66	3.33	-37.51
CC12CC(C(=O)N3CCN(C4=N[N-]N=N4)CC3)(CO1)CCC2	REAL300019936540	1	43	-1.0	-40.82	311.83	3.32	-37.50
CC12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(CO1)CCC2	REAL300019936540	1	44	0.0	-10.06	316.75	3.28	-6.78
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CN1C=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019936544	1	39	0.0	-20.90	316.92	5.37	-15.53
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O=C(N1CCN(C2=N[N-]N=N2)CC1)C12CCCCC1C2(F)F	REAL300019936545	1	39	-1.0	-41.22	303.10	4.92	-36.30
O=C(N1CCN(C2=NNN=N2)CC1)C12CCCCC1C2(F)F	REAL300019936545	1	40	0.0	-9.41	307.32	4.87	-4.54
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936546	0	42	-1.0	-40.09	351.18	5.37	-34.72
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936546	1	42	-1.0	-40.11	351.35	5.37	-34.74
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019936546	1	43	0.0	-10.14	355.45	5.32	-4.82
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936547	0	38	-1.0	-44.11	318.20	2.79	-41.32
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936547	1	38	-1.0	-44.09	318.37	2.78	-41.31
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936548	0	42	-1.0	-54.20	349.32	0.47	-53.73
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936548	1	42	-1.0	-54.14	349.48	0.47	-53.67
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936548	1	43	0.0	-21.94	352.37	0.36	-21.58
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936549	0	32	-1.0	-36.66	303.38	0.10	-36.56
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936549	1	32	-1.0	-36.62	303.55	0.10	-36.52
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936549	1	33	0.0	-8.68	307.82	0.05	-8.63
COC1=C(Cl)C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C2=NC=CC=C21	REAL300019936550	0	41	-1.0	-46.53	354.54	4.73	-41.80
COC1=C(Cl)C=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C2=NC=CC=C21	REAL300019936550	1	41	-1.0	-46.52	354.70	4.72	-41.80
COC1=C(Cl)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C21	REAL300019936550	1	42	0.0	-14.88	358.81	4.68	-10.20
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936551	0	47	-1.0	-42.18	379.86	4.41	-37.77
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019936551	1	47	-1.0	-42.14	380.02	4.40	-37.74
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936551	1	48	0.0	-13.39	384.13	4.36	-9.03
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019936552	0	53	-1.0	-48.15	402.22	4.90	-43.25
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936552	1	53	-1.0	-48.07	402.39	4.90	-43.17
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936552	1	54	0.0	-12.96	406.51	4.86	-8.10
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NOC(CN2C=C(Br)C=N2)=C1	REAL300019940202	0	33	-1.0	-52.54	327.37	2.20	-50.34
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NOC(CN2C=C(Br)C=N2)=C1	REAL300019940202	1	33	-1.0	-52.56	327.44	2.22	-50.34
O=C(CC1=CSC2=CC=C(Cl)C=C12)NC1(C2=N[N-]N=N2)CC1	REAL300019940203	0	33	-1.0	-49.51	320.72	5.18	-44.33
O=C(CC1=CSC2=CC=C(Cl)C=C12)NC1(C2=NN=N[N-]2)CC1	REAL300019940203	1	33	-1.0	-49.52	320.78	5.19	-44.33
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940204	0	43	-1.0	-50.75	380.52	2.60	-48.15
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940204	1	43	-1.0	-50.72	380.45	2.59	-48.13
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)S(=O)(=O)C1CCOCC1	REAL300019940205	0	40	-1.0	-61.54	335.71	-0.63	-62.17
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)S(=O)(=O)C1CCOCC1	REAL300019940205	1	40	-1.0	-61.52	335.78	-0.62	-62.14
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1CCC(C)C	REAL300019940206	0	42	-1.0	-48.83	346.82	3.68	-45.15
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=NN1CCC(C)C	REAL300019940206	1	42	-1.0	-48.81	346.91	3.68	-45.13
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=C(F)C=C1Br	REAL300019940207	0	27	-1.0	-44.17	271.98	3.25	-40.92
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(F)=C(F)C=C1Br	REAL300019940207	1	27	-1.0	-44.22	272.07	3.25	-40.97
CC1=CC=C(C(C)C)C(OCCC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940208	0	46	-1.0	-46.92	377.47	5.63	-41.29
CC1=CC=C(C(C)C)C(OCCC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940208	1	46	-1.0	-46.96	377.53	5.63	-41.33
CC(C)C1=CC=CC=C1OCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940209	0	43	-1.0	-46.67	356.06	4.96	-41.71
CC(C)C1=CC=CC=C1OCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940209	1	43	-1.0	-46.68	356.12	4.97	-41.71
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CSC(C2=CC=NC=C2)=N1	REAL300019940210	0	32	-1.0	-49.60	305.58	1.55	-48.05
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CSC(C2=CC=NC=C2)=N1	REAL300019940210	1	32	-1.0	-49.59	305.66	1.53	-48.06
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940211	0	39	-1.0	-60.81	341.79	2.59	-58.22
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940211	1	39	-1.0	-60.83	341.86	2.61	-58.22
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL300019940212	0	42	-1.0	-54.64	357.88	0.61	-54.03
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL300019940212	1	42	-1.0	-54.63	357.95	0.63	-54.00
CC(C)(C)OC(=O)N1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL300019940213	0	41	-1.0	-48.95	341.63	1.91	-47.04
CC(C)(C)OC(=O)N1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL300019940213	1	41	-1.0	-48.97	341.70	1.92	-47.05
COC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1OC1CCCC1	REAL300019940214	0	45	-1.0	-50.40	365.52	4.72	-45.68
COC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1OC1CCCC1	REAL300019940214	1	45	-1.0	-50.42	365.58	4.71	-45.71
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)NC1(C2=NN=N[N-]2)CC1	REAL300019940215	0	36	-1.0	-48.07	336.72	4.12	-43.95
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)NC1(C2=N[N-]N=N2)CC1	REAL300019940215	1	36	-1.0	-48.11	336.64	4.11	-44.00
COC1=CC2=NNN=C2C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940216	0	33	-1.0	-51.86	289.84	0.36	-51.50
COC1=CC2=NNN=C2C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940216	1	33	-1.0	-51.88	289.93	0.35	-51.53
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])NC1(C2=N[N-]N=N2)CC1	REAL300019940217	0	33	-1.0	-53.52	326.00	4.81	-48.71
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])NC1(C2=NN=N[N-]2)CC1	REAL300019940217	1	33	-1.0	-53.55	326.08	4.82	-48.73
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019940218	0	43	-1.0	-52.01	371.27	2.06	-49.95
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019940218	1	43	-1.0	-52.04	371.35	2.06	-49.98
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300019940219	0	44	-1.0	-48.23	361.58	5.99	-42.24
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300019940219	1	44	-1.0	-48.21	361.66	5.99	-42.22
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300019940220	0	37	-1.0	-45.29	339.91	2.45	-42.84
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300019940220	1	37	-1.0	-45.24	339.83	2.43	-42.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300019940221	0	36	-1.0	-52.06	340.01	4.05	-48.01
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300019940221	1	36	-1.0	-52.11	340.11	4.04	-48.07
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC(C#N)=C1	REAL300019940222	0	38	-1.0	-56.92	343.34	4.49	-52.43
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC(C#N)=C1	REAL300019940222	1	38	-1.0	-56.93	343.42	4.50	-52.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300019940223	0	30	-1.0	-48.64	293.49	1.75	-46.89
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300019940223	1	30	-1.0	-48.65	293.42	1.74	-46.91
CC1=CC(F)=CC=C1N1C=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL300019940224	0	37	-1.0	-50.61	332.37	4.68	-45.93
CC1=CC(F)=CC=C1N1C=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL300019940224	1	37	-1.0	-50.65	332.29	4.69	-45.96
CCC1=NC2=CC=CC=C2N1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940225	0	39	-1.0	-52.63	337.01	4.77	-47.86
CCC1=NC2=CC=CC=C2N1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940225	1	39	-1.0	-52.63	337.08	4.77	-47.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2=CC=CS2)S1	REAL300019940226	0	31	-1.0	-48.82	306.36	4.39	-44.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2=CC=CS2)S1	REAL300019940226	1	31	-1.0	-48.78	306.45	4.39	-44.39
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(SC2CC2)C=C1	REAL300019940227	0	35	-1.0	-47.18	313.66	5.26	-41.92
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(SC2CC2)C=C1	REAL300019940227	1	35	-1.0	-47.19	313.74	5.28	-41.91
O=C(CCC1=CC(F)=CC=C1Br)NC1(C2=N[N-]N=N2)CC1	REAL300019940228	0	33	-1.0	-44.77	311.73	4.65	-40.12
O=C(CCC1=CC(F)=CC=C1Br)NC1(C2=NN=N[N-]2)CC1	REAL300019940228	1	33	-1.0	-44.80	311.79	4.66	-40.14
CC(C)COC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300019940229	0	39	-1.0	-45.16	349.83	2.35	-42.81
CC(C)COC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300019940229	1	39	-1.0	-45.18	349.76	2.35	-42.83
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019940230	0	39	-1.0	-47.82	359.59	2.76	-45.06
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019940230	1	39	-1.0	-47.81	359.52	2.74	-45.07
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019940231	0	34	-2.0	-87.36	332.18	0.01	-87.35
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019940231	1	34	-2.0	-87.41	332.24	0.03	-87.38
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2=CC=C(Br)S2)S1	REAL300019940232	0	31	-1.0	-47.39	328.02	5.11	-42.28
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2=CC=C(Br)S2)S1	REAL300019940232	1	31	-1.0	-47.42	328.11	5.10	-42.32
CC1=CC(N2CC(C(=O)NC3(C4=N[N-]N=N4)CC3)CC2=O)=CC=C1F	REAL300019940233	0	41	-1.0	-47.58	348.14	4.11	-43.47
CC1=CC(N2CC(C(=O)NC3(C4=NN=N[N-]4)CC3)CC2=O)=CC=C1F	REAL300019940233	1	41	-1.0	-47.58	348.21	4.13	-43.45
CCC(CC)N1N=C(C)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940234	0	42	-1.0	-48.67	345.42	3.90	-44.77
CCC(CC)N1N=C(C)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940234	1	42	-1.0	-48.68	345.50	3.90	-44.78
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300019940235	0	35	-1.0	-49.86	320.54	1.79	-48.07
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300019940235	1	35	-1.0	-49.86	320.61	1.79	-48.07
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=C(Cl)C=CC=C21	REAL300019940236	0	34	-1.0	-47.99	305.35	4.88	-43.11
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=C(Cl)C=CC=C21	REAL300019940236	1	34	-1.0	-47.97	305.40	4.89	-43.08
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NC1(C2=N[N-]N=N2)CC1	REAL300019940237	0	41	-1.0	-54.92	374.06	0.71	-54.21
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NC1(C2=NN=N[N-]2)CC1	REAL300019940237	1	41	-1.0	-54.94	374.13	0.72	-54.22
CN(C)C1=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N(C)C2=NC=N1	REAL300019940238	0	40	-1.0	-50.45	332.80	3.53	-46.92
CN(C)C1=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N(C)C2=NC=N1	REAL300019940238	1	40	-1.0	-50.43	332.89	3.53	-46.90
CCC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=C(OC)C=C1	REAL300019940239	0	40	-1.0	-47.77	332.68	3.82	-43.95
CCC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=C(OC)C=C1	REAL300019940239	1	40	-1.0	-47.82	332.75	3.83	-43.99
CC(CC(=O)NC1(C2=N[N-]N=N2)CC1)C(=O)C1=CC=C(Cl)C=C1	REAL300019940240	0	38	-1.0	-44.76	341.53	4.97	-39.79
CC(CC(=O)NC1(C2=NN=N[N-]2)CC1)C(=O)C1=CC=C(Cl)C=C1	REAL300019940240	1	38	-1.0	-44.73	341.60	4.97	-39.76
O=C(CCCC1=CC2=CC=CC=C2C=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019940241	0	42	-1.0	-50.33	356.59	7.16	-43.17
O=C(CCCC1=CC2=CC=CC=C2C=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019940241	1	42	-1.0	-50.28	356.65	7.16	-43.12
CC1=C(C)N2C(=NC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C2=O)S1	REAL300019940242	0	35	-1.0	-57.63	311.24	2.90	-54.73
CC1=C(C)N2C(=NC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C2=O)S1	REAL300019940242	1	35	-1.0	-57.62	311.18	2.89	-54.73
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1C1=CC=C(Cl)C=C1	REAL300019940243	0	37	-1.0	-51.63	340.96	4.60	-47.03
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C1=CC=C(Cl)C=C1	REAL300019940243	1	37	-1.0	-51.64	341.04	4.62	-47.02
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019940244	0	36	-1.0	-46.72	339.67	4.15	-42.57
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300019940244	1	36	-1.0	-46.68	339.58	4.15	-42.53
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2=CN=CC=N2)C=N1	REAL300019940245	0	34	-1.0	-51.41	306.90	0.78	-50.63
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2=CN=CC=N2)C=N1	REAL300019940245	1	34	-1.0	-51.43	306.99	0.78	-50.65
O=C(NC1(C2=N[N-]N=N2)CC1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300019940246	0	45	-1.0	-47.81	390.41	4.50	-43.31
O=C(NC1(C2=NN=N[N-]2)CC1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300019940246	1	45	-1.0	-47.79	390.51	4.49	-43.30
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2OCC(=O)NC2=C1	REAL300019940247	0	32	-1.0	-48.06	288.94	-3.23	-51.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2OCC(=O)NC2=C1	REAL300019940247	1	32	-1.0	-48.05	288.87	-3.21	-51.26
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019940248	0	34	-1.0	-47.59	329.13	2.85	-44.74
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019940248	1	34	-1.0	-47.61	329.20	2.85	-44.76
O=C(CC(O)C1=CC=C(Cl)C=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019940249	0	34	-1.0	-47.81	312.59	2.33	-45.48
O=C(CC(O)C1=CC=C(Cl)C=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019940249	1	34	-1.0	-47.84	312.66	2.34	-45.50
CC(C)(C)SC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=N1	REAL300019940250	0	39	-1.0	-47.27	333.33	4.96	-42.31
CC(C)(C)SC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=N1	REAL300019940250	1	39	-1.0	-47.27	333.26	4.95	-42.32
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300019940251	0	30	-1.0	-47.88	294.25	4.02	-43.86
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300019940251	1	30	-1.0	-47.87	294.34	4.01	-43.86
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300019940252	0	33	-1.0	-46.93	329.08	1.64	-45.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300019940252	1	33	-1.0	-46.90	328.99	1.64	-45.26
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940253	0	42	-1.0	-50.49	359.00	3.67	-46.82
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940253	1	42	-1.0	-50.48	359.04	3.67	-46.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300019940254	0	38	-1.0	-50.02	349.74	6.03	-43.99
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300019940254	1	38	-1.0	-50.04	349.81	6.02	-44.02
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL300019940255	0	33	-1.0	-50.33	315.28	2.11	-48.22
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL300019940255	1	33	-1.0	-50.32	315.21	2.08	-48.24
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SC2=NC(C)=NC(N)=C12	REAL300019940256	0	36	-1.0	-48.00	317.81	1.46	-46.54
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SC2=NC(C)=NC(N)=C12	REAL300019940256	1	36	-1.0	-47.96	317.89	1.47	-46.49
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940257	0	39	-1.0	-60.98	342.57	0.23	-60.75
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940257	1	39	-1.0	-61.04	342.64	0.23	-60.81
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940258	0	44	-1.0	-55.82	381.34	4.30	-51.52
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940258	1	44	-1.0	-55.81	381.27	4.29	-51.52
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300019940259	0	38	-1.0	-67.40	342.67	3.98	-63.42
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300019940259	1	38	-1.0	-67.43	342.76	3.97	-63.46
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300019940260	0	32	-1.0	-41.39	305.56	4.10	-37.29
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300019940260	1	32	-1.0	-41.38	305.49	4.10	-37.28
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300019940260	1	31	-2.0	-98.23	302.66	2.47	-95.76
COCCOC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=N1	REAL300019940261	0	37	-1.0	-50.33	325.03	-0.43	-50.76
COCCOC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=N1	REAL300019940261	1	37	-1.0	-50.34	324.96	-0.45	-50.79
COC1=CC(C(=O)CCC(=O)NC2(C3=N[N-]N=N3)CC2)=CC(OC)=C1OC	REAL300019940262	0	47	-1.0	-47.95	400.94	3.09	-44.86
COC1=CC(C(=O)CCC(=O)NC2(C3=NN=N[N-]3)CC2)=CC(OC)=C1OC	REAL300019940262	1	47	-1.0	-47.94	401.01	3.10	-44.84
COCC1=NN=C(C2=CC=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2)O1	REAL300019940263	0	39	-1.0	-57.76	349.08	-1.65	-59.41
COCC1=NN=C(C2=CC=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2)O1	REAL300019940263	1	39	-1.0	-57.76	349.17	-1.64	-59.40
CC1=CSC2=NC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C(=O)N12	REAL300019940264	0	32	-1.0	-58.60	291.63	2.20	-56.40
CC1=CSC2=NC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C(=O)N12	REAL300019940264	1	32	-1.0	-58.53	291.56	2.19	-56.34
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300019940265	0	34	-1.0	-52.57	337.34	4.77	-47.80
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300019940265	1	34	-1.0	-52.58	337.27	4.75	-47.83
CC(CC(=O)NC1(C2=N[N-]N=N2)CC1)CC1=CC=C(Cl)C=C1	REAL300019940266	0	39	-1.0	-47.46	339.90	5.82	-41.64
CC(CC(=O)NC1(C2=NN=N[N-]2)CC1)CC1=CC=C(Cl)C=C1	REAL300019940266	1	39	-1.0	-47.43	339.97	5.82	-41.61
CC1=CC=C(S(=O)(=O)NC(C(=O)NC2(C3=N[N-]N=N3)CC2)C(C)O)C=C1	REAL300019940267	0	45	-1.0	-54.63	389.99	-2.18	-56.81
CC1=CC=C(S(=O)(=O)NC(C(=O)NC2(C3=NN=N[N-]3)CC2)C(C)O)C=C1	REAL300019940267	1	45	-1.0	-54.63	390.05	-2.17	-56.80
O=C(NC1(C2=N[N-]N=N2)CC1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300019940268	0	37	-1.0	-51.10	338.16	-1.12	-52.22
O=C(NC1(C2=NN=N[N-]2)CC1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300019940268	1	37	-1.0	-51.08	338.22	-1.12	-52.20
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Br)=CC(Br)=C1	REAL300019940269	0	27	-1.0	-42.89	284.68	3.85	-39.04
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Br)=CC(Br)=C1	REAL300019940269	1	27	-1.0	-42.92	284.75	3.87	-39.05
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)C=C1O	REAL300019940270	0	31	-1.0	-49.92	290.88	2.04	-47.88
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C=C1O	REAL300019940270	1	31	-1.0	-49.89	290.97	2.03	-47.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019940270	1	30	-2.0	-112.42	286.99	3.05	-109.37
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019940270	1	30	-2.0	-112.43	287.08	3.04	-109.39
CC(C)C1=CC=CC(C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)O2)=C1	REAL300019940271	0	43	-1.0	-49.12	366.89	6.16	-42.96
CC(C)C1=CC=CC(C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)O2)=C1	REAL300019940271	1	43	-1.0	-49.12	366.98	6.16	-42.96
O=C(CC(O)(C1=NC2=CC=CC=C2S1)C(F)(F)F)NC1(C2=NN=N[N-]2)CC1	REAL300019940272	0	39	-1.0	-47.14	358.29	2.39	-44.75
O=C(CC(O)(C1=NC2=CC=CC=C2S1)C(F)(F)F)NC1(C2=N[N-]N=N2)CC1	REAL300019940272	1	39	-1.0	-47.16	358.23	2.38	-44.78
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(Br)N=CS1	REAL300019940273	0	23	-1.0	-49.73	248.20	0.16	-49.57
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(Br)N=CS1	REAL300019940273	1	23	-1.0	-49.75	248.11	0.17	-49.58
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1N=NN=C1C(C)(C)C	REAL300019940274	0	40	-1.0	-58.13	329.15	1.64	-56.49
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1N=NN=C1C(C)(C)C	REAL300019940274	1	40	-1.0	-58.07	329.08	1.63	-56.44
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019940275	0	37	-1.0	-52.45	354.99	5.05	-47.40
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300019940275	1	37	-1.0	-52.48	355.07	5.04	-47.44
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1C1=CC=C(F)C=C1	REAL300019940276	0	37	-1.0	-51.90	330.65	4.15	-47.75
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C1=CC=C(F)C=C1	REAL300019940276	1	37	-1.0	-51.91	330.71	4.17	-47.74
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1C1=CC=C(C)C=C1	REAL300019940277	0	40	-1.0	-53.52	345.64	4.76	-48.76
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C1=CC=C(C)C=C1	REAL300019940277	1	40	-1.0	-53.51	345.71	4.78	-48.73
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC(Cl)=C1	REAL300019940278	0	37	-1.0	-53.51	339.20	4.62	-48.89
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC(Cl)=C1	REAL300019940278	1	37	-1.0	-53.54	339.30	4.63	-48.91
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1C1=CC(C)=CC(C)=C1	REAL300019940279	0	43	-1.0	-53.41	365.94	5.42	-47.99
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C1=CC(C)=CC(C)=C1	REAL300019940279	1	43	-1.0	-53.38	366.03	5.40	-47.98
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940280	0	44	-1.0	-51.58	373.15	6.63	-44.95
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940280	1	44	-1.0	-51.57	373.22	6.62	-44.95
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NC(OC2CCCCC2)=C1	REAL300019940281	0	43	-1.0	-48.72	354.04	3.13	-45.59
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC(OC2CCCCC2)=C1	REAL300019940281	1	43	-1.0	-48.70	353.96	3.14	-45.56
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300019940282	0	38	-1.0	-46.09	359.56	7.25	-38.84
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300019940282	1	38	-1.0	-46.14	359.63	7.26	-38.88
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NN1C(C)C1CC1	REAL300019940283	0	40	-1.0	-53.63	341.67	3.87	-49.76
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C(C)C1CC1	REAL300019940283	1	40	-1.0	-53.64	341.76	3.85	-49.79
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940284	0	47	-1.0	-49.14	388.54	3.54	-45.60
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940284	1	47	-1.0	-49.16	388.61	3.54	-45.62
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019940285	0	42	-1.0	-47.89	352.76	5.34	-42.55
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019940285	1	42	-1.0	-47.94	352.83	5.34	-42.60
CC1=CN2C(=NC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C2=O)S1	REAL300019940286	0	32	-1.0	-57.46	297.06	2.42	-55.04
CC1=CN2C(=NC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C2=O)S1	REAL300019940286	1	32	-1.0	-57.48	296.99	2.40	-55.08
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(OCC(F)F)=CC=N1	REAL300019940287	0	33	-1.0	-58.27	304.92	1.34	-56.93
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(OCC(F)F)=CC=N1	REAL300019940287	1	33	-1.0	-58.29	304.83	1.35	-56.94
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL300019940288	0	36	-1.0	-47.81	326.47	1.06	-46.75
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL300019940288	1	36	-1.0	-47.77	326.40	1.05	-46.72
COC1=C2C(CC(=O)NC3(C4=N[N-]N=N4)CC3)=CNC2=CC=C1	REAL300019940289	0	38	-1.0	-54.42	327.62	2.69	-51.73
COC1=C2C(CC(=O)NC3(C4=NN=N[N-]4)CC3)=CNC2=CC=C1	REAL300019940289	1	38	-1.0	-54.42	327.69	2.70	-51.72
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CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300019940319	0	45	-1.0	-48.07	379.02	7.11	-40.96
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CC(C)NC(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019940321	1	40	-1.0	-52.28	341.72	2.57	-49.71
CC(C)(C)OC(=O)N1CCC(CCC(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL300019940322	0	50	-1.0	-51.54	399.72	4.17	-47.37
CC(C)(C)OC(=O)N1CCC(CCC(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL300019940322	1	50	-1.0	-51.56	399.78	4.17	-47.39
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CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC=C1Cl	REAL300019940323	1	37	-1.0	-56.31	338.33	4.76	-51.55
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COC1=CC2=C(CC(=O)NC3(C4=N[N-]N=N4)CC3)C=CC=C2C=C1	REAL300019940325	0	40	-1.0	-55.32	339.59	4.73	-50.59
COC1=CC2=C(CC(=O)NC3(C4=NN=N[N-]4)CC3)C=CC=C2C=C1	REAL300019940325	1	40	-1.0	-55.30	339.65	4.73	-50.57
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CC(=O)N(CCC1=CC=CC=C1)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940327	0	43	-1.0	-53.29	366.85	4.99	-48.30
CC(=O)N(CCC1=CC=CC=C1)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940327	1	43	-1.0	-53.33	366.93	4.98	-48.35
CC(SC1=NC2=CC=CC=C2S1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940328	0	36	-1.0	-48.60	338.13	4.37	-44.23
CC(SC1=NC2=CC=CC=C2S1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940328	1	36	-1.0	-48.63	338.07	4.36	-44.27
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CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940330	0	50	-1.0	-57.74	395.62	4.04	-53.70
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940330	1	50	-1.0	-57.31	395.95	4.06	-53.25
CC1=CC(F)=CC=C1N1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=N1	REAL300019940331	0	36	-1.0	-47.14	322.44	2.99	-44.15
CC1=CC(F)=CC=C1N1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=N1	REAL300019940331	1	36	-1.0	-47.15	322.38	2.99	-44.16
COC1=CC=CC(C2=NC(C)=C(C(=O)NC3(C4=N[N-]N=N4)CC3)N2)=C1	REAL300019940332	0	41	-1.0	-52.60	352.27	2.84	-49.76
COC1=CC=CC(C2=NC(C)=C(C(=O)NC3(C4=NN=N[N-]4)CC3)N2)=C1	REAL300019940332	1	41	-1.0	-52.60	352.35	2.84	-49.76
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NS(=O)(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL300019940334	0	31	-1.0	-51.61	293.36	-4.33	-55.94
NS(=O)(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL300019940334	1	31	-1.0	-51.67	293.29	-4.32	-55.99
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CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300019940336	0	40	-1.0	-51.72	361.84	4.55	-47.17
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CN(C(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1)C1=CC=CC=C1	REAL300019940337	1	44	-1.0	-53.79	364.55	5.67	-48.12
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CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1C1CCCC1	REAL300019940371	0	40	-1.0	-49.71	329.09	3.67	-46.04
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=NN1C1CCCC1	REAL300019940371	1	40	-1.0	-49.69	329.18	3.66	-46.03
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CCC1=CSC(N2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=N2)=N1	REAL300019940373	1	36	-1.0	-50.80	334.26	3.34	-47.46
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CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1CCOC1CCCCO1	REAL300019940377	0	48	-1.0	-50.74	393.99	3.01	-47.73
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CCC(CC)N1N=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1C	REAL300019940381	0	42	-1.0	-53.29	348.67	3.84	-49.45
CCC(CC)N1N=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1C	REAL300019940381	1	42	-1.0	-53.29	348.76	3.82	-49.47
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CC(CC1=CC=CC=C1Cl)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940383	0	36	-1.0	-48.96	317.97	4.98	-43.98
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CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=NN1C1=CC=NC=C1	REAL300019940390	0	36	-1.0	-49.87	313.98	2.32	-47.55
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=NN1C1=CC=NC=C1	REAL300019940390	1	36	-1.0	-49.90	314.07	2.32	-47.58
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940391	0	39	-1.0	-51.67	348.42	3.32	-48.35
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940391	1	39	-1.0	-51.71	348.49	3.34	-48.37
CC(C)(C)OC(=O)NCC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CCCCC1	REAL300019940392	0	56	-1.0	-48.29	415.23	3.81	-44.48
CC(C)(C)OC(=O)NCC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CCCCC1	REAL300019940392	1	56	-1.0	-48.32	415.30	3.80	-44.52
CCS(=O)(=O)C1=CC=CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940393	0	39	-1.0	-61.07	349.74	1.72	-59.35
CCS(=O)(=O)C1=CC=CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940393	1	39	-1.0	-61.11	349.81	1.72	-59.39
CC(C)CN1N=C(C(=O)NC2(C3=N[N-]N=N3)CC2)CCC1=O	REAL300019940394	0	40	-1.0	-43.33	332.31	2.01	-41.32
CC(C)CN1N=C(C(=O)NC2(C3=NN=N[N-]3)CC2)CCC1=O	REAL300019940394	1	40	-1.0	-43.29	332.38	2.03	-41.26
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CC1=CC(C)=C(Br)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940396	0	33	-1.0	-50.72	298.87	4.37	-46.35
CC1=CC(C)=C(Br)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940396	1	33	-1.0	-50.73	298.96	4.36	-46.37
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CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940400	0	41	-1.0	-52.57	348.68	6.02	-46.55
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940400	1	41	-1.0	-52.58	348.75	6.01	-46.57
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CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940402	0	54	-1.0	-63.08	438.00	2.10	-60.98
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940402	1	54	-1.0	-63.11	438.07	2.10	-61.01
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CC1=NC=CC(NCC2=CC=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300019940405	0	43	-1.0	-53.62	371.16	4.11	-49.51
CC1=NC=CC(NCC2=CC=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300019940405	1	43	-1.0	-53.61	371.22	4.11	-49.50
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300019940405	1	44	0.0	-67.93	374.36	4.56	-63.37
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019940406	0	32	-2.0	-87.64	313.08	-1.15	-88.79
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NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940407	0	31	-2.0	-91.31	286.48	0.44	-90.87
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940407	1	31	-2.0	-91.34	286.55	0.45	-90.89
CC(C)(C)OC(=O)N1CC2CC(C(=O)NC3(C4=N[N-]N=N4)CC3)CC(C1)C2=O	REAL300019940408	0	53	-1.0	-50.03	381.78	4.24	-45.79
CC(C)(C)OC(=O)N1CC2CC(C(=O)NC3(C4=NN=N[N-]4)CC3)CC(C1)C2=O	REAL300019940408	1	53	-1.0	-50.09	381.84	4.25	-45.84
COC1=CC=C(C(=O)C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300019940409	0	33	-1.0	-44.98	308.97	2.34	-42.64
COC1=CC=C(C(=O)C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300019940409	1	33	-1.0	-44.99	309.03	2.34	-42.65
CN1C=C(N2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CC2=O)C=N1	REAL300019940410	0	37	-1.0	-48.80	323.31	2.46	-46.34
CN1C=C(N2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=CC2=O)C=N1	REAL300019940410	1	37	-1.0	-48.80	323.24	2.47	-46.33
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=NO2)CC1	REAL300019940411	0	52	-1.0	-46.48	416.04	3.10	-43.38
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=NO2)CC1	REAL300019940411	1	52	-1.0	-46.47	416.11	3.11	-43.36
O=C(CCCC(=O)C1=CC=C2OCCOC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019940412	0	44	-1.0	-62.43	375.44	3.87	-58.56
O=C(CCCC(=O)C1=CC=C2OCCOC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019940412	1	44	-1.0	-62.49	375.52	3.88	-58.61
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=N1	REAL300019940413	0	46	-1.0	-48.62	385.35	1.22	-47.40
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=N1	REAL300019940413	1	46	-1.0	-48.67	385.42	1.23	-47.44
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NOC(COC2=CC=CC=C2F)=C1	REAL300019940414	0	37	-1.0	-54.50	339.76	3.28	-51.22
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NOC(COC2=CC=CC=C2F)=C1	REAL300019940414	1	37	-1.0	-54.47	339.85	3.27	-51.20
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NC(OC2CCOC2)=C1	REAL300019940415	0	38	-1.0	-48.95	326.18	-0.09	-49.04
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NC(OC2CCOC2)=C1	REAL300019940415	1	38	-1.0	-48.94	326.11	-0.11	-49.05
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019940416	0	39	-1.0	-49.40	349.51	5.89	-43.51
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019940416	1	39	-1.0	-49.42	349.59	5.89	-43.53
CC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019940417	0	47	-1.0	-53.98	374.48	6.44	-47.54
CC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019940417	1	47	-1.0	-53.94	374.55	6.45	-47.49
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)NN=C1C1=CC=CC=C1	REAL300019940418	0	37	-1.0	-48.36	320.30	3.07	-45.29
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)NN=C1C1=CC=CC=C1	REAL300019940418	1	37	-1.0	-48.33	320.37	3.07	-45.26
N#CC1=CC=C(C(=O)NCC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019940419	0	35	-1.0	-46.16	322.72	1.52	-44.64
N#CC1=CC=C(C(=O)NCC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019940419	1	35	-1.0	-46.16	322.79	1.53	-44.63
CC1=C(Br)C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300019940420	0	30	-1.0	-56.16	281.92	0.96	-55.20
CC1=C(Br)C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300019940420	1	30	-1.0	-56.17	281.99	0.96	-55.21
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940421	0	35	-2.0	-99.22	316.05	-0.70	-99.92
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940421	1	35	-2.0	-99.18	316.17	-0.71	-99.89
CCNS(=O)(=O)C1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019940422	0	41	-1.0	-54.20	365.22	0.34	-53.86
CCNS(=O)(=O)C1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019940422	1	41	-1.0	-54.24	365.28	0.34	-53.90
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(I)=C1[O-]	REAL300019940423	0	27	-2.0	-111.78	275.00	3.16	-108.62
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(I)=C1[O-]	REAL300019940423	1	27	-2.0	-111.79	275.09	3.15	-108.64
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(I)=C1O	REAL300019940423	1	28	-1.0	-51.82	278.56	2.16	-49.66
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(I)=C1O	REAL300019940423	1	28	-1.0	-51.81	278.65	2.15	-49.66
CNS(=O)(=O)C1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019940424	0	38	-1.0	-54.62	344.18	-0.52	-55.14
CNS(=O)(=O)C1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019940424	1	38	-1.0	-54.56	344.24	-0.52	-55.08
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940425	0	34	-1.0	-48.89	322.39	5.34	-43.55
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940425	1	34	-1.0	-48.88	322.45	5.34	-43.54
CC1=CC(Br)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940426	0	30	-1.0	-44.77	284.80	3.91	-40.86
CC1=CC(Br)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940426	1	30	-1.0	-44.78	284.86	3.92	-40.86
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019940427	0	35	-1.0	-45.37	315.23	4.55	-40.82
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300019940427	1	35	-1.0	-45.40	315.30	4.57	-40.83
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300019940428	0	37	-1.0	-57.75	334.38	5.08	-52.67
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300019940428	1	37	-1.0	-57.79	334.29	5.10	-52.69
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019940429	0	38	-1.0	-43.87	341.49	5.08	-38.79
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019940429	1	38	-1.0	-43.90	341.55	5.09	-38.81
O=C(CC1=CC(Cl)=CC2=C1OCC2)NC1(C2=N[N-]N=N2)CC1	REAL300019940430	0	35	-1.0	-49.23	319.70	3.67	-45.56
O=C(CC1=CC(Cl)=CC2=C1OCC2)NC1(C2=NN=N[N-]2)CC1	REAL300019940430	1	35	-1.0	-49.20	319.77	3.68	-45.52
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019940431	0	48	-1.0	-55.02	382.37	5.08	-49.94
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019940431	1	48	-1.0	-55.07	382.44	5.09	-49.98
O=C(NC1(C2=N[N-]N=N2)CC1)C1=COC(C2CCOCC2)=N1	REAL300019940432	0	37	-1.0	-47.93	318.53	-1.32	-49.25
O=C(NC1(C2=NN=N[N-]2)CC1)C1=COC(C2CCOCC2)=N1	REAL300019940432	1	37	-1.0	-47.97	318.60	-1.29	-49.26
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940433	0	38	-2.0	-118.88	343.85	0.04	-118.84
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940433	1	38	-2.0	-118.84	343.94	0.03	-118.81
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019940433	1	39	-1.0	-53.10	347.40	-0.97	-54.07
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019940433	1	39	-1.0	-53.13	347.49	-0.97	-54.10
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=C(Br)C=C1Br	REAL300019940434	0	26	-1.0	-45.60	277.55	2.01	-43.59
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=C(Br)C=C1Br	REAL300019940434	1	26	-1.0	-45.62	277.49	1.99	-43.63
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(OC2CCCC2)N=C1	REAL300019940435	0	40	-1.0	-45.84	336.12	2.52	-43.32
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(OC2CCCC2)N=C1	REAL300019940435	1	40	-1.0	-45.86	336.05	2.53	-43.33
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300019940436	0	36	-1.0	-45.77	352.76	2.74	-43.03
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O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC1C1=CC=CC=C1Cl	REAL300019943247	1	37	-1.0	-50.45	325.07	5.51	-44.94
COCCN1C=CC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C21	REAL300019943248	0	41	-1.0	-52.12	352.38	4.34	-47.78
COCCN1C=CC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C21	REAL300019943248	1	41	-1.0	-52.09	352.44	4.35	-47.74
CC(C)N1C=CC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C21	REAL300019943249	0	40	-1.0	-52.29	336.73	5.76	-46.53
CC(C)N1C=CC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C21	REAL300019943249	1	40	-1.0	-52.29	336.80	5.75	-46.54
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1Cl	REAL300019943250	0	34	-1.0	-46.18	348.62	5.59	-40.59
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1Cl	REAL300019943250	1	34	-1.0	-46.17	348.69	5.60	-40.57
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O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300019943251	1	32	-1.0	-51.18	302.83	3.65	-47.53
CC12CCCN1S(=O)(=O)C(C(=O)NC1(C3=N[N-]N=N3)CC1)C2	REAL300019943252	0	39	-1.0	-61.28	326.26	-1.02	-62.30
CC12CCCN1S(=O)(=O)C(C(=O)NC1(C3=NN=N[N-]3)CC1)C2	REAL300019943252	1	39	-1.0	-61.29	326.33	-1.01	-62.30
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=NN1CCC(F)(F)F	REAL300019943253	0	33	-1.0	-48.41	305.05	2.20	-46.21
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=NN1CCC(F)(F)F	REAL300019943253	1	33	-1.0	-48.44	304.97	2.21	-46.23
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943254	0	38	-1.0	-50.73	339.27	4.57	-46.16
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943254	1	38	-1.0	-50.76	339.34	4.59	-46.17
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019943255	0	33	-1.0	-45.23	317.26	1.52	-43.71
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019943255	1	33	-1.0	-45.25	317.34	1.52	-43.73
O=C(C=CC1=CC=C(Cl)C=C1F)NC1(C2=N[N-]N=N2)CC1	REAL300019943256	0	31	-1.0	-48.49	299.71	4.38	-44.11
O=C(C=CC1=CC=C(Cl)C=C1F)NC1(C2=NN=N[N-]2)CC1	REAL300019943256	1	31	-1.0	-48.47	299.78	4.38	-44.09
CCCCOC1=CC=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019943257	0	44	-1.0	-48.57	372.06	5.63	-42.94
CCCCOC1=CC=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019943257	1	44	-1.0	-48.64	372.14	5.63	-43.01
COC1=CC2=CC=C(CC(=O)NC3(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019943258	0	40	-1.0	-50.90	343.03	4.86	-46.04
COC1=CC2=CC=C(CC(=O)NC3(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019943258	1	40	-1.0	-50.91	343.10	4.86	-46.05
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943259	0	45	-1.0	-46.24	359.91	7.05	-39.19
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943259	1	45	-1.0	-46.26	359.98	7.04	-39.22
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=C(Br)C(F)=C1	REAL300019943260	0	27	-1.0	-42.28	275.80	3.34	-38.94
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(F)=C(Br)C(F)=C1	REAL300019943260	1	27	-1.0	-42.31	275.87	3.33	-38.98
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300019943261	0	33	-1.0	-49.78	304.96	3.30	-46.48
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300019943261	1	33	-1.0	-49.78	305.03	3.31	-46.47
COC(=O)C1=CC=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL300019943262	0	36	-1.0	-49.06	328.09	2.66	-46.40
COC(=O)C1=CC=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL300019943262	1	36	-1.0	-49.09	328.16	2.67	-46.42
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943263	0	36	-1.0	-46.52	322.65	4.79	-41.73
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943263	1	36	-1.0	-46.49	322.72	4.80	-41.69
CC(CC(=O)NC1(C2=N[N-]N=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300019943264	0	36	-1.0	-46.09	315.12	4.67	-41.42
CC(CC(=O)NC1(C2=NN=N[N-]2)CC1)C1=CC=C(F)C(F)=C1	REAL300019943264	1	36	-1.0	-46.06	315.18	4.68	-41.38
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019943265	0	34	-1.0	-57.80	306.44	2.63	-55.17
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019943265	1	34	-1.0	-57.74	306.53	2.62	-55.12
CCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SC(C2=NNC=N2)=N1	REAL300019943266	0	35	-1.0	-53.93	325.37	1.84	-52.09
CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SC(C2=NNC=N2)=N1	REAL300019943266	1	35	-1.0	-53.94	325.46	1.83	-52.11
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300019943267	0	36	-1.0	-51.28	339.12	2.98	-48.30
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300019943267	1	36	-1.0	-51.28	339.03	2.99	-48.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2N=CNC2=CC(Br)=C1	REAL300019943268	0	30	-1.0	-58.71	289.48	2.94	-55.77
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2N=CNC2=CC(Br)=C1	REAL300019943268	1	30	-1.0	-58.70	289.57	2.93	-55.77
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019943269	0	37	-1.0	-55.84	320.75	3.68	-52.16
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300019943269	1	37	-1.0	-55.81	320.82	3.67	-52.14
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943270	0	39	-1.0	-49.98	341.18	1.02	-48.96
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943270	1	39	-1.0	-50.01	341.25	1.03	-48.98
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019943271	0	40	-1.0	-54.27	353.70	5.26	-49.01
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300019943271	1	40	-1.0	-54.30	353.77	5.28	-49.02
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)NN=C2C1	REAL300019943272	0	48	-1.0	-49.52	388.90	2.11	-47.41
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)NN=C2C1	REAL300019943272	1	48	-1.0	-49.51	388.99	2.10	-47.41
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300019943273	0	45	-1.0	-52.60	390.18	5.77	-46.83
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300019943273	1	45	-1.0	-52.59	390.11	5.76	-46.83
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019943274	0	38	-1.0	-50.40	327.41	2.50	-47.90
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019943274	1	38	-1.0	-50.41	327.48	2.50	-47.91
CSC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019943275	0	33	-1.0	-44.94	305.84	4.17	-40.77
CSC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300019943275	1	33	-1.0	-44.94	305.90	4.19	-40.75
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019943276	0	37	-1.0	-47.86	328.77	3.77	-44.09
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019943276	1	37	-1.0	-47.87	328.83	3.77	-44.10
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943277	0	41	-1.0	-59.40	347.45	1.39	-58.01
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943277	1	41	-1.0	-59.41	347.54	1.38	-58.03
O=C(NC1(C2=N[N-]N=N2)CC1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019943278	0	31	-1.0	-45.75	298.07	2.07	-43.68
O=C(NC1(C2=NN=N[N-]2)CC1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019943278	1	31	-1.0	-45.73	298.14	2.07	-43.66
C[C@@H]1CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)NN=C2[C@H](C)O1	REAL300019943279	0	38	-1.0	-46.16	319.67	0.63	-45.53
C[C@@H]1CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)NN=C2[C@H](C)O1	REAL300019943279	1	38	-1.0	-46.16	319.74	0.63	-45.53
O=C(CCC1=C(Br)C=CS1)NC1(C2=N[N-]N=N2)CC1	REAL300019943280	0	30	-1.0	-45.32	298.85	3.75	-41.57
O=C(CCC1=C(Br)C=CS1)NC1(C2=NN=N[N-]2)CC1	REAL300019943280	1	30	-1.0	-45.33	298.92	3.75	-41.58
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019943281	0	33	-1.0	-50.21	310.91	3.43	-46.78
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019943281	1	33	-1.0	-50.20	310.98	3.43	-46.77
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019943281	1	33	-1.0	-53.02	310.76	3.43	-49.59
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019943281	1	33	-1.0	-53.07	310.83	3.43	-49.64
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL300019943282	0	48	-1.0	-52.55	378.11	5.54	-47.01
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL300019943282	1	48	-1.0	-52.57	378.17	5.54	-47.03
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019943283	0	35	-1.0	-55.95	315.54	4.09	-51.86
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019943283	1	35	-1.0	-55.96	315.61	4.10	-51.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019943284	0	34	-1.0	-49.22	304.58	4.87	-44.35
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019943284	1	34	-1.0	-49.24	304.65	4.86	-44.38
O=C(CCCCCC(=O)NC1(C2=N[N-]N=N2)CC1)NC1=CC=CC=C1	REAL300019943285	0	46	-1.0	-56.74	386.13	4.71	-52.03
O=C(CCCCCC(=O)NC1(C2=NN=N[N-]2)CC1)NC1=CC=CC=C1	REAL300019943285	1	46	-1.0	-56.76	386.20	4.71	-52.05
CS(=O)(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300019943286	0	33	-1.0	-58.32	316.20	0.56	-57.76
CS(=O)(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300019943286	1	33	-1.0	-58.35	316.29	0.56	-57.79
NC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C(F)C(Br)=C1F	REAL300019943287	0	29	-1.0	-42.97	284.60	1.43	-41.54
NC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C(F)C(Br)=C1F	REAL300019943287	1	29	-1.0	-42.98	284.68	1.42	-41.56
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=NO1	REAL300019943288	0	43	-1.0	-48.70	369.80	0.37	-48.33
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=NO1	REAL300019943288	1	43	-1.0	-48.69	369.87	0.40	-48.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC(C2CC2)=NC=C1Cl	REAL300019943289	0	32	-1.0	-46.13	300.36	2.75	-43.38
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC(C2CC2)=NC=C1Cl	REAL300019943289	1	32	-1.0	-46.19	300.45	2.75	-43.44
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943290	0	49	-1.0	-48.82	397.09	0.72	-48.10
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943290	1	49	-1.0	-48.83	397.15	0.71	-48.12
CN(C)C1=CC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019943291	0	41	-1.0	-50.69	341.50	5.31	-45.38
CN(C)C1=CC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019943291	1	41	-1.0	-50.72	341.56	5.30	-45.42
COC1(CC(=O)NC2(C3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019943292	0	48	-1.0	-56.15	387.72	1.38	-54.77
COC1(CC(=O)NC2(C3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019943292	1	48	-1.0	-56.17	387.79	1.38	-54.79
CN1N=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C(C3CC3)N=C21	REAL300019943293	0	39	-1.0	-50.45	334.70	3.62	-46.83
CN1N=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C(C3CC3)N=C21	REAL300019943293	1	39	-1.0	-50.50	334.79	3.62	-46.88
COC1=CC=C(C=CC(=O)NC2(C3=N[N-]N=N3)CC2)C(OC)=C1OC	REAL300019943294	0	43	-1.0	-52.09	371.41	3.12	-48.97
COC1=CC=C(C=CC(=O)NC2(C3=NN=N[N-]3)CC2)C(OC)=C1OC	REAL300019943294	1	43	-1.0	-52.12	371.48	3.11	-49.01
CC=CC1=CC=C(OCC(=O)NC2(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300019943295	0	42	-1.0	-54.66	358.50	4.93	-49.73
CC=CC1=CC=C(OCC(=O)NC2(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300019943295	1	42	-1.0	-54.70	358.57	4.93	-49.77
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL300019943296	0	51	-1.0	-55.33	403.19	2.30	-53.03
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL300019943296	1	51	-1.0	-55.32	403.27	2.32	-53.00
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943297	0	51	-1.0	-49.68	387.70	3.85	-45.83
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943297	1	51	-1.0	-49.71	387.78	3.84	-45.87
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NC1(C3=N[N-]N=N3)CC1)CC2	REAL300019943298	0	57	-1.0	-54.26	438.78	4.30	-49.96
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NC1(C3=NN=N[N-]3)CC1)CC2	REAL300019943298	1	57	-1.0	-54.27	438.85	4.31	-49.96
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019943299	0	34	-1.0	-51.77	304.67	1.21	-50.56
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019943299	1	34	-1.0	-51.76	304.77	1.20	-50.56
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019943300	0	44	-1.0	-45.61	353.77	5.28	-40.33
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019943300	1	44	-1.0	-45.56	353.84	5.29	-40.27
CC1=NN=C(CC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2)O1	REAL300019943301	0	38	-1.0	-52.90	337.43	0.02	-52.88
CC1=NN=C(CC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2)O1	REAL300019943301	1	38	-1.0	-52.95	337.52	0.04	-52.91
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3(C4=N[N-]N=N4)CC3)C2)CC1	REAL300019943302	0	54	-1.0	-51.30	416.81	5.08	-46.22
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3(C4=NN=N[N-]4)CC3)C2)CC1	REAL300019943302	1	54	-1.0	-51.27	416.90	5.08	-46.19
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL300019943303	0	51	-1.0	-57.20	407.68	3.40	-53.80
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL300019943303	1	51	-1.0	-57.19	407.74	3.42	-53.77
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019943304	0	33	-1.0	-52.44	307.61	5.41	-47.03
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300019943304	1	33	-1.0	-52.43	307.68	5.41	-47.02
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019943305	0	39	-1.0	-50.22	339.09	6.41	-43.81
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019943305	1	39	-1.0	-50.20	339.16	6.43	-43.77
CC1=CC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CN=C2C(F)=C1	REAL300019943306	0	35	-1.0	-47.33	311.06	3.76	-43.57
CC1=CC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CN=C2C(F)=C1	REAL300019943306	1	35	-1.0	-47.28	310.99	3.75	-43.53
CC(C)(C)OC1=CC(Br)=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019943307	0	40	-1.0	-47.85	344.51	4.39	-43.46
CC(C)(C)OC1=CC(Br)=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019943307	1	40	-1.0	-47.84	344.58	4.38	-43.46
CN1C=C(C2=NC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CO2)C=N1	REAL300019943308	0	33	-1.0	-51.76	306.60	-1.35	-53.11
CN1C=C(C2=NC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CO2)C=N1	REAL300019943308	1	33	-1.0	-51.75	306.53	-1.37	-53.12
COC1=C2C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)NC2=C(C)C=C1	REAL300019943309	0	38	-1.0	-52.88	327.50	2.40	-50.48
COC1=C2C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)NC2=C(C)C=C1	REAL300019943309	1	38	-1.0	-52.91	327.59	2.39	-50.52
CCCCOC1=CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019943310	0	43	-1.0	-48.68	361.93	5.12	-43.56
CCCCOC1=CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019943310	1	43	-1.0	-48.68	362.00	5.12	-43.56
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL300019943311	0	44	-1.0	-64.51	380.37	0.87	-63.64
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL300019943311	1	44	-1.0	-64.54	380.44	0.90	-63.64
COC1=NC2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019943312	0	36	-1.0	-48.09	316.42	1.52	-46.57
COC1=NC2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019943312	1	36	-1.0	-48.05	316.35	1.53	-46.52
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019943313	0	37	-1.0	-48.97	339.58	3.25	-45.72
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019943313	1	37	-1.0	-48.95	339.65	3.27	-45.68
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Cl)=C(Cl)S1	REAL300019943314	0	24	-1.0	-44.75	268.20	2.61	-42.14
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Cl)=C(Cl)S1	REAL300019943314	1	24	-1.0	-44.73	268.29	2.60	-42.13
COC1CC2(C1)CCC(C(=O)NC1(C3=N[N-]N=N3)CC1)CC2	REAL300019943315	0	44	-1.0	-48.57	346.26	3.51	-45.06
COC1CC2(C1)CCC(C(=O)NC1(C3=NN=N[N-]3)CC1)CC2	REAL300019943315	1	44	-1.0	-48.58	346.33	3.51	-45.07
CCCC(CCC1=CC=CC=C1)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943316	0	45	-1.0	-49.04	366.46	6.94	-42.10
CCCC(CCC1=CC=CC=C1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943316	1	45	-1.0	-49.04	366.53	6.95	-42.09
CCC(C)(C)C1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL300019943317	0	48	-1.0	-44.00	343.75	5.23	-38.77
CCC(C)(C)C1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL300019943317	1	48	-1.0	-44.06	343.82	5.24	-38.82
CN1C=C(C2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=NO2)N=N1	REAL300019943318	0	32	-1.0	-54.97	300.58	0.11	-54.86
CN1C=C(C2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=NO2)N=N1	REAL300019943318	1	32	-1.0	-54.97	300.67	0.10	-54.87
COC1(C(F)(F)C(=O)NC2(C3=NN=N[N-]3)CC2)CCCC1	REAL300019943319	0	37	-1.0	-45.84	301.94	2.85	-42.99
COC1(C(F)(F)C(=O)NC2(C3=N[N-]N=N3)CC2)CCCC1	REAL300019943319	1	37	-1.0	-45.78	301.85	2.85	-42.93
O=C(CCC1=CC=C2CCOCC2=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019943320	0	41	-1.0	-47.39	342.68	4.20	-43.19
O=C(CCC1=CC=C2CCOCC2=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019943320	1	41	-1.0	-47.42	342.75	4.21	-43.21
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N=C1Br	REAL300019943321	0	29	-1.0	-48.01	280.01	1.85	-46.16
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N=C1Br	REAL300019943321	1	29	-1.0	-48.04	279.93	1.85	-46.19
CN(C)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019943322	0	37	-1.0	-45.25	322.50	3.89	-41.36
CN(C)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300019943322	1	37	-1.0	-45.25	322.57	3.90	-41.35
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019943323	0	31	-1.0	-50.08	289.58	2.16	-47.92
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019943323	1	31	-1.0	-50.09	289.51	2.14	-47.95
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300019943324	0	30	-1.0	-48.61	302.84	4.17	-44.44
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300019943324	1	30	-1.0	-48.63	302.93	4.16	-44.47
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019943325	0	35	-1.0	-49.03	332.86	4.65	-44.38
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019943325	1	35	-1.0	-49.04	332.95	4.64	-44.40
CC(C)(C)C1=CC=NC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=NN21	REAL300019943326	0	41	-1.0	-60.66	341.29	3.91	-56.75
CC(C)(C)C1=CC=NC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=NN21	REAL300019943326	1	41	-1.0	-60.72	341.21	3.92	-56.80
O=C(CCC1=CC=CC(Br)=C1F)NC1(C2=N[N-]N=N2)CC1	REAL300019943327	0	33	-1.0	-50.45	315.13	4.76	-45.69
O=C(CCC1=CC=CC(Br)=C1F)NC1(C2=NN=N[N-]2)CC1	REAL300019943327	1	33	-1.0	-50.49	315.20	4.76	-45.73
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943328	0	38	-1.0	-55.05	309.69	1.37	-53.68
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943328	1	38	-1.0	-55.06	309.74	1.37	-53.69
COC1=CC(Br)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1F	REAL300019943329	0	31	-1.0	-47.06	294.89	2.52	-44.54
COC1=CC(Br)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1F	REAL300019943329	1	31	-1.0	-47.10	294.98	2.51	-44.59
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943330	0	45	-1.0	-52.27	366.35	2.48	-49.79
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943330	1	45	-1.0	-52.33	366.42	2.47	-49.86
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O	REAL300019943331	0	45	-1.0	-51.28	385.55	1.30	-49.98
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O	REAL300019943331	1	45	-1.0	-51.20	385.61	1.31	-49.89
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1	REAL300019943332	0	45	-1.0	-61.16	378.99	0.64	-60.52
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1	REAL300019943332	1	45	-1.0	-61.21	379.06	0.65	-60.56
CC1(C)OC2=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC=C2NC1=O	REAL300019943333	0	39	-1.0	-49.64	333.45	1.20	-48.44
CC1(C)OC2=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC=C2NC1=O	REAL300019943333	1	39	-1.0	-49.66	333.52	1.19	-48.47
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C21	REAL300019943334	0	35	-1.0	-55.05	311.71	1.43	-53.62
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C21	REAL300019943334	1	35	-1.0	-55.06	311.79	1.42	-53.64
COC(=O)C1=CC=CC2=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=CC=C12	REAL300019943335	0	39	-1.0	-51.41	333.25	5.17	-46.24
COC(=O)C1=CC=CC2=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=CC=C12	REAL300019943335	1	39	-1.0	-51.39	333.18	5.17	-46.22
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=C(CCCNC2=O)S1	REAL300019943336	0	35	-1.0	-58.76	312.56	0.78	-57.98
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=C(CCCNC2=O)S1	REAL300019943336	1	35	-1.0	-58.78	312.65	0.77	-58.01
CN(C)C(=O)C1=CN=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019943337	0	36	-1.0	-47.50	310.45	0.74	-46.76
CN(C)C(=O)C1=CN=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019943337	1	36	-1.0	-47.50	310.39	0.74	-46.76
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019943338	0	31	-1.0	-51.10	297.34	1.70	-49.40
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019943338	1	31	-1.0	-51.07	297.28	1.68	-49.39
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943339	0	47	-1.0	-47.30	386.31	0.41	-46.89
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943339	1	47	-1.0	-47.30	386.37	0.41	-46.89
CC(C)(C)OC(=O)N1CC(CC(=O)NC2(C3=N[N-]N=N3)CC2)OCC12CCC2	REAL300019943340	0	55	-1.0	-54.96	422.97	3.96	-51.00
CC(C)(C)OC(=O)N1CC(CC(=O)NC2(C3=NN=N[N-]3)CC2)OCC12CCC2	REAL300019943340	1	55	-1.0	-55.06	423.01	3.97	-51.09
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300019943341	0	49	-1.0	-47.70	415.68	1.67	-46.03
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300019943341	1	49	-1.0	-47.70	415.77	1.66	-46.04
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NC3(C4=N[N-]N=N4)CC3)C2)C1	REAL300019943342	0	54	-1.0	-52.80	416.89	5.03	-47.77
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NC3(C4=NN=N[N-]4)CC3)C2)C1	REAL300019943342	1	54	-1.0	-52.79	416.98	5.02	-47.77
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL300019943343	0	50	-1.0	-54.23	391.55	3.82	-50.41
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL300019943343	1	50	-1.0	-54.25	391.62	3.83	-50.42
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL300019943344	0	54	-1.0	-52.75	424.61	5.64	-47.11
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL300019943344	1	54	-1.0	-52.81	424.68	5.65	-47.16
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL300019943345	0	47	-1.0	-48.68	373.43	2.32	-46.36
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL300019943345	1	47	-1.0	-48.66	373.50	2.34	-46.32
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NC2(C3=N[N-]N=N3)CC2)O[C@@H]2COC[C@H]21	REAL300019943346	0	53	-1.0	-54.16	409.62	1.64	-52.52
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NC2(C3=NN=N[N-]3)CC2)O[C@@H]2COC[C@H]21	REAL300019943346	1	53	-1.0	-54.21	409.69	1.66	-52.55
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL300019943347	0	48	-1.0	-51.31	391.35	2.72	-48.59
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL300019943347	1	48	-1.0	-51.33	391.43	2.71	-48.62
COC1=CC=CC=C1OC(C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943348	0	38	-1.0	-56.97	321.97	3.54	-53.43
COC1=CC=CC=C1OC(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943348	1	38	-1.0	-56.99	322.04	3.54	-53.45
CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1S(=O)(=O)N(C)C	REAL300019943349	0	41	-1.0	-49.98	351.88	1.46	-48.52
CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1S(=O)(=O)N(C)C	REAL300019943349	1	41	-1.0	-50.01	351.94	1.47	-48.54
CCC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)N2C=C(C)SC2=N1	REAL300019943350	0	36	-1.0	-53.76	317.72	4.07	-49.69
CCC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)N2C=C(C)SC2=N1	REAL300019943350	1	36	-1.0	-53.76	317.79	4.08	-49.68
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019943351	0	30	-1.0	-50.24	294.36	3.93	-46.31
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019943351	1	30	-1.0	-50.27	294.45	3.92	-46.35
CC1=CC(F)=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300019943352	0	32	-1.0	-49.44	294.80	3.89	-45.55
CC1=CC(F)=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300019943352	1	32	-1.0	-49.48	294.89	3.89	-45.59
O=C(NC1(C2=N[N-]N=N2)CC1)C(F)(F)CCC1=CC=CC=C1	REAL300019943353	0	36	-1.0	-41.98	320.81	5.04	-36.94
O=C(NC1(C2=NN=N[N-]2)CC1)C(F)(F)CCC1=CC=CC=C1	REAL300019943353	1	36	-1.0	-42.00	320.88	5.04	-36.96
CC1=CC2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)S2)S1	REAL300019943354	0	30	-1.0	-49.16	294.16	3.81	-45.35
CC1=CC2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)S2)S1	REAL300019943354	1	30	-1.0	-49.17	294.24	3.80	-45.37
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943355	0	38	-1.0	-53.30	336.94	-1.13	-54.43
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943355	1	38	-1.0	-53.35	337.02	-1.11	-54.46
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019943356	0	33	-1.0	-46.41	320.80	4.91	-41.50
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300019943356	1	33	-1.0	-46.40	320.89	4.89	-41.51
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1(C2=N[N-]N=N2)CC1	REAL300019943357	0	40	-1.0	-49.78	353.72	6.07	-43.71
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1(C2=NN=N[N-]2)CC1	REAL300019943357	1	40	-1.0	-49.77	353.80	6.07	-43.70
CON(CCC(=O)NC1(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300019943358	0	44	-1.0	-47.03	366.81	2.68	-44.35
CON(CCC(=O)NC1(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300019943358	1	44	-1.0	-47.08	366.89	2.69	-44.39
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC2=NNN=C2C(Br)=C1	REAL300019943359	0	29	-1.0	-45.05	283.21	0.50	-44.55
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=NNN=C2C(Br)=C1	REAL300019943359	1	29	-1.0	-45.06	283.28	0.51	-44.55
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019943360	0	40	-1.0	-47.63	343.12	1.08	-46.55
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019943360	1	40	-1.0	-47.68	343.19	1.10	-46.58
COC(=O)C1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C(F)C=N1	REAL300019943361	0	32	-1.0	-48.96	298.67	1.45	-47.51
COC(=O)C1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C(F)C=N1	REAL300019943361	1	32	-1.0	-48.94	298.58	1.45	-47.49
CC(C)OCC1=CC=CC=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943362	0	43	-1.0	-47.84	358.50	4.80	-43.04
CC(C)OCC1=CC=CC=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943362	1	43	-1.0	-47.82	358.57	4.81	-43.01
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019943363	0	34	-1.0	-48.47	324.00	5.45	-43.02
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019943363	1	34	-1.0	-48.47	324.06	5.46	-43.01
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943364	0	33	-1.0	-53.98	327.77	2.67	-51.31
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943364	1	33	-1.0	-53.99	327.84	2.68	-51.31
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC(C2=CC=CC(Br)=C2)=NO1	REAL300019943365	0	35	-1.0	-51.43	332.31	4.56	-46.87
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC(C2=CC=CC(Br)=C2)=NO1	REAL300019943365	1	35	-1.0	-51.48	332.37	4.57	-46.91
O=C(CN1C=C(I)C=N1)NC1(C2=NN=N[N-]2)CC1	REAL300019943366	0	27	-1.0	-49.37	276.09	1.83	-47.54
O=C(CN1C=C(I)C=N1)NC1(C2=N[N-]N=N2)CC1	REAL300019943366	1	27	-1.0	-49.32	276.03	1.82	-47.50
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C2C=C(Br)C=CN12	REAL300019943367	0	30	-1.0	-49.07	285.47	3.78	-45.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C2C=C(Br)C=CN12	REAL300019943367	1	30	-1.0	-49.17	285.40	3.77	-45.40
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019943368	0	37	-1.0	-54.94	330.52	-0.99	-55.93
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019943368	1	37	-1.0	-54.97	330.44	-1.00	-55.97
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943369	0	27	-1.0	-40.21	276.79	-1.15	-41.36
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943369	1	27	-1.0	-40.16	276.72	-1.17	-41.33
COC1=C(Cl)C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C2=NC=CC=C21	REAL300019943370	0	36	-1.0	-54.88	331.10	3.37	-51.51
COC1=C(Cl)C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C2=NC=CC=C21	REAL300019943370	1	36	-1.0	-54.86	331.01	3.37	-51.49
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019943371	0	42	-1.0	-49.15	358.90	2.58	-46.57
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019943371	1	42	-1.0	-49.17	358.83	2.59	-46.58
CC1=CC=C(C2=NC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CS2)N1C	REAL300019948202	0	45	-1.0	-46.10	369.94	3.53	-42.57
CC1=CC=C(C2=NC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CS2)N1C	REAL300019948202	1	45	-1.0	-46.09	369.88	3.53	-42.56
CN1C(=O)CCC2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC=C21	REAL300019948203	0	46	-1.0	-46.87	358.88	2.83	-44.04
CN1C(=O)CCC2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CC=C21	REAL300019948203	1	46	-1.0	-46.88	358.94	2.83	-44.05
CC1=C(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=NN1C	REAL300019948204	0	44	-1.0	-42.09	349.49	1.98	-40.11
CC1=C(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=NN1C	REAL300019948204	1	44	-1.0	-42.06	349.55	1.98	-40.08
COC1CCC(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019948205	0	48	-1.0	-38.19	357.74	2.39	-35.80
COC1CCC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019948205	1	48	-1.0	-38.19	357.80	2.39	-35.80
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948206	0	40	-1.0	-42.53	330.83	2.31	-40.22
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948206	1	40	-1.0	-42.53	330.77	2.30	-40.23
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948207	0	41	-1.0	-43.16	344.29	0.20	-42.96
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948207	1	41	-1.0	-43.14	344.23	0.19	-42.95
O=C(CCC1=CC(Br)=CC=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948208	0	41	-1.0	-38.24	355.68	4.42	-33.82
O=C(CCC1=CC(Br)=CC=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948208	1	41	-1.0	-38.25	355.74	4.43	-33.82
CCC(CC)N1N=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1C	REAL300019948209	0	50	-1.0	-44.16	387.12	4.21	-39.95
CCC(CC)N1N=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1C	REAL300019948209	1	50	-1.0	-44.13	387.18	4.21	-39.92
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=NN1C1CCCCC1	REAL300019948210	0	51	-1.0	-45.26	389.51	4.58	-40.68
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=NN1C1CCCCC1	REAL300019948210	1	51	-1.0	-45.24	389.57	4.58	-40.66
CC(CC1=CC=CC=C1Cl)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948211	0	44	-1.0	-43.78	347.46	4.15	-39.63
CC(CC1=CC=CC=C1Cl)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948211	1	44	-1.0	-43.78	347.52	4.16	-39.62
CC1=C(C=CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=NN1C	REAL300019948212	0	42	-1.0	-48.21	338.96	1.76	-46.45
CC1=C(C=CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=NN1C	REAL300019948212	1	42	-1.0	-48.22	339.02	1.76	-46.46
O=C(C1=CC=CN=C1OCC(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948213	0	41	-1.0	-53.36	345.62	0.62	-52.74
O=C(C1=CC=CN=C1OCC(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948213	1	41	-1.0	-53.35	345.56	0.61	-52.74
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948214	0	46	-1.0	-41.85	373.45	3.85	-38.00
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948214	1	46	-1.0	-41.87	373.51	3.86	-38.01
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CC=C1F	REAL300019948215	0	38	-1.0	-40.84	316.98	3.03	-37.81
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C(F)(F)C1=CC=CC=C1F	REAL300019948215	1	38	-1.0	-40.80	317.04	3.04	-37.76
COCC1=NC(C)=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)S1	REAL300019948216	0	41	-1.0	-40.55	343.17	-0.19	-40.74
COCC1=NC(C)=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)S1	REAL300019948216	1	41	-1.0	-40.52	343.23	-0.19	-40.71
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)NC(C2=CC(C)=CC=C2)=N1	REAL300019948217	0	48	-1.0	-40.64	383.96	4.09	-36.55
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)NC(C2=CC(C)=CC=C2)=N1	REAL300019948217	1	48	-1.0	-40.64	384.02	4.09	-36.55
CC(C)(C)S(=O)(=O)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948218	0	43	-1.0	-48.99	344.32	-0.97	-49.96
CC(C)(C)S(=O)(=O)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948218	1	43	-1.0	-49.00	344.38	-0.97	-49.97
COC1=CC=CC=C1SCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948219	0	43	-1.0	-42.26	354.75	2.82	-39.44
COC1=CC=CC=C1SCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948219	1	43	-1.0	-42.26	354.82	2.82	-39.44
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948220	0	44	-1.0	-37.49	358.53	4.49	-33.00
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948220	1	44	-1.0	-37.49	358.59	4.50	-32.99
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948221	0	41	-1.0	-45.22	345.07	-0.17	-45.39
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948221	1	41	-1.0	-45.24	345.01	-0.17	-45.41
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=NN1C1=CC=NC=C1	REAL300019948222	0	44	-1.0	-42.23	355.39	2.08	-40.15
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=NN1C1=CC=NC=C1	REAL300019948222	1	44	-1.0	-42.24	355.45	2.08	-40.16
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948223	0	45	-1.0	-43.57	368.89	4.51	-39.06
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948223	1	45	-1.0	-43.56	368.95	4.51	-39.05
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948224	0	47	-1.0	-43.13	387.37	2.95	-40.18
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948224	1	47	-1.0	-43.15	387.43	2.96	-40.19
CCC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300019948225	0	44	-1.0	-37.40	350.08	4.14	-33.26
CCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300019948225	1	44	-1.0	-37.38	350.14	4.14	-33.24
CC1=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C2=CC=CC=C2O1	REAL300019948226	0	44	-1.0	-43.45	357.52	4.49	-38.96
CC1=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C2=CC=CC=C2O1	REAL300019948226	1	44	-1.0	-43.44	357.58	4.50	-38.94
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019948227	0	47	-1.0	-46.03	390.75	1.73	-44.30
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019948227	1	47	-1.0	-46.06	390.81	1.74	-44.32
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CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=C2)=N1	REAL300019948258	1	52	0.0	-60.94	412.36	3.81	-57.13
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C[N@@H+](CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1CCCCC1	REAL300019948262	1	53	0.0	-56.61	381.51	4.31	-52.30
C[N@H+](CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CCCCC1	REAL300019948262	1	53	0.0	-56.93	381.58	4.31	-52.62
C[N@@H+](CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CCCCC1	REAL300019948262	1	53	0.0	-56.61	381.57	4.31	-52.30
CCC1CCCCC1OCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948263	0	51	-1.0	-39.79	380.13	4.39	-35.40
CCC1CCCCC1OCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948263	1	51	-1.0	-39.82	380.19	4.39	-35.43
COC1=CC=C(C(=O)C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1Cl	REAL300019948264	0	41	-1.0	-40.40	347.51	2.22	-38.18
COC1=CC=C(C(=O)C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300019948264	1	41	-1.0	-40.38	347.57	2.23	-38.15
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CN1C=C(N2C=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=CC2=O)C=N1	REAL300019948265	1	45	-1.0	-43.96	367.73	1.90	-42.06
CC1=NN(CC(F)F)C(C)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948266	0	44	-1.0	-43.50	367.65	2.46	-41.04
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O=C(C1=COC(C2CC2)=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948267	1	38	-1.0	-41.62	313.45	0.46	-41.16
CC(C)(O)C(F)(F)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948268	0	38	-1.0	-40.40	302.16	-0.75	-41.15
CC(C)(O)C(F)(F)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948268	1	38	-1.0	-40.44	302.22	-0.75	-41.19
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CC1=CN=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(O)=C1	REAL300019948270	1	38	-1.0	-46.61	310.92	0.10	-46.51
CC1=CN=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C([O-])=C1	REAL300019948270	1	37	-2.0	-99.81	307.30	1.04	-98.77
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CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019948302	1	46	-2.0	-94.82	386.44	-0.91	-95.73
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019948302	1	47	-1.0	-43.77	390.68	-1.84	-45.61
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019948302	1	47	-1.0	-43.78	390.74	-1.84	-45.62
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CC(C)(C)OC(=O)C1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC=CC1	REAL300019950204	0	51	-1.0	-40.74	384.43	4.26	-36.48
CC(C)(C)OC(=O)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC=CC1	REAL300019950204	1	51	-1.0	-40.75	384.49	4.27	-36.48
CC(C)(C)OC(=O)C(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(C)(C)C	REAL300019950205	0	55	-1.0	-40.39	398.04	4.80	-35.59
CC(C)(C)OC(=O)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(C)(C)C	REAL300019950205	1	55	-1.0	-40.38	398.10	4.81	-35.57
CC(C)(C)OC(=O)C(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1CC1	REAL300019950206	0	50	-1.0	-41.73	389.01	4.37	-37.36
CC(C)(C)OC(=O)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CC1	REAL300019950206	1	50	-1.0	-41.77	389.08	4.37	-37.40
CC(C)(C)OC(=O)C1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC2CCC1C2	REAL300019950207	0	57	-1.0	-40.31	407.47	5.11	-35.20
CC(C)(C)OC(=O)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC2CCC1C2	REAL300019950207	1	57	-1.0	-40.31	407.53	5.11	-35.20
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019950208	0	56	-1.0	-43.08	409.24	5.13	-37.95
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019950208	1	56	-1.0	-43.05	409.30	5.13	-37.92
C=C(C)CC(NC(C)=O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950209	0	45	-1.0	-43.77	351.11	1.57	-42.20
C=C(C)CC(NC(C)=O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950209	1	45	-1.0	-43.75	351.17	1.58	-42.17
COC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCC(F)(F)CC1	REAL300019950210	0	45	-1.0	-36.63	333.85	1.45	-35.18
COC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCC(F)(F)CC1	REAL300019950210	1	45	-1.0	-36.64	333.91	1.46	-35.18
CN1C=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1C1=CC=CC=C1	REAL300019950211	0	46	-1.0	-43.42	363.32	5.30	-38.12
CN1C=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1C1=CC=CC=C1	REAL300019950211	1	46	-1.0	-43.41	363.38	5.30	-38.11
CCCCCC1=NNC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019950212	0	47	-1.0	-41.00	370.27	2.80	-38.20
CCCCCC1=NNC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019950212	1	47	-1.0	-40.99	370.33	2.80	-38.19
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950213	0	45	-1.0	-40.13	353.55	0.76	-39.37
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950213	1	45	-1.0	-40.13	353.61	0.77	-39.36
CNC1=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CS1	REAL300019950214	0	36	-1.0	-44.14	305.63	0.17	-43.97
CNC1=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CS1	REAL300019950214	1	36	-1.0	-44.12	305.57	0.16	-43.96
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C(C)N1C1CCOCC1	REAL300019950215	0	53	-1.0	-45.61	390.71	3.50	-42.11
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C(C)N1C1CCOCC1	REAL300019950215	1	53	-1.0	-45.59	390.77	3.51	-42.08
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950216	0	41	-1.0	-39.92	345.88	3.44	-36.48
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950216	1	41	-1.0	-39.93	345.82	3.43	-36.50
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC(NCC(F)(F)F)=N1	REAL300019950217	0	45	-1.0	-39.41	374.55	1.67	-37.74
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC(NCC(F)(F)F)=N1	REAL300019950217	1	45	-1.0	-39.42	374.61	1.67	-37.75
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL300019950218	0	39	-1.0	-39.82	327.29	2.28	-37.54
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019950218	1	39	-1.0	-39.82	327.35	2.29	-37.53
CC1(C)CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC(C)(C)C1	REAL300019950219	0	53	-1.0	-36.93	379.72	4.30	-32.63
CC1(C)CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC(C)(C)C1	REAL300019950219	1	53	-1.0	-36.92	379.78	4.30	-32.62
O=C(CN1C=C(C2CC2)C=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950220	0	42	-1.0	-44.35	340.08	2.83	-41.52
O=C(CN1C=C(C2CC2)C=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950220	1	42	-1.0	-44.37	340.14	2.83	-41.54
O=C(C1=CC=CC2=C1COCC2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950221	0	43	-1.0	-41.25	336.39	2.38	-38.87
O=C(C1=CC=CC2=C1COCC2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950221	1	43	-1.0	-41.21	336.45	2.39	-38.82
CC(C)(C)N1N=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1Br	REAL300019950222	0	44	-1.0	-40.41	360.51	2.28	-38.13
CC(C)(C)N1N=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1Br	REAL300019950222	1	44	-1.0	-40.44	360.45	2.28	-38.16
O=C(C1CC2(CC2(F)F)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950223	0	39	-1.0	-40.48	320.27	3.11	-37.37
O=C(C1CC2(CC2(F)F)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950223	1	39	-1.0	-40.46	320.33	3.11	-37.35
CC1=CC(F)=CC(C)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950224	0	41	-1.0	-38.26	333.47	3.58	-34.68
CC1=CC(F)=CC(C)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950224	1	41	-1.0	-38.23	333.51	3.58	-34.65
CN1N=CC(C2CCC2)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950225	0	45	-1.0	-39.72	358.00	2.77	-36.95
CN1N=CC(C2CCC2)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950225	1	45	-1.0	-39.75	358.06	2.78	-36.97
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(N2C=NN=N2)CC1	REAL300019950226	0	37	-1.0	-42.83	307.51	1.06	-41.77
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(N2C=NN=N2)CC1	REAL300019950226	1	37	-1.0	-42.80	307.57	1.06	-41.74
C[C@@H](C(=O)N1CCN(CC2=N[N-]N=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019950227	0	51	-1.0	-44.20	385.59	2.38	-41.82
C[C@@H](C(=O)N1CCN(CC2=NN=N[N-]2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019950227	1	51	-1.0	-44.22	385.65	2.39	-41.83
COC(=O)C1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C(C)O1	REAL300019950228	0	41	-1.0	-42.54	342.32	1.93	-40.61
COC(=O)C1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C(C)O1	REAL300019950228	1	41	-1.0	-42.54	342.38	1.94	-40.60
O=C(C(CO)C1=CC=CC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950229	0	42	-1.0	-39.26	333.21	-0.05	-39.31
O=C(C(CO)C1=CC=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950229	1	42	-1.0	-39.26	333.27	-0.05	-39.31
O=C(C1CC[N@@H+]1C1CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950230	0	48	0.0	-64.58	355.62	3.90	-60.68
O=C(C1CC[N@H+]1C1CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950230	1	48	0.0	-51.64	350.24	3.34	-48.30
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950231	0	34	-1.0	-40.16	315.01	2.40	-37.76
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950231	1	34	-1.0	-40.14	314.95	2.39	-37.75
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950232	0	42	-1.0	-48.12	343.10	-1.43	-49.55
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950232	1	42	-1.0	-48.12	343.16	-1.43	-49.55
CCC1=CNC(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL300019950233	0	41	-1.0	-45.83	330.50	1.39	-44.44
CCC1=CNC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019950233	1	41	-1.0	-45.85	330.56	1.39	-44.46
O=C(CC1=CN=CC2=CC=CC=C21)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950234	0	43	-1.0	-43.23	346.49	3.68	-39.55
O=C(CC1=CN=CC2=CC=CC=C21)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950234	1	43	-1.0	-43.23	346.55	3.69	-39.54
CC(=CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)CN1CCOCC1	REAL300019950235	0	48	-1.0	-38.76	364.11	-0.31	-39.07
CC(=CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)CN1CCOCC1	REAL300019950235	1	48	-1.0	-38.77	364.17	-0.30	-39.07
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950236	0	37	-1.0	-43.42	317.30	-2.62	-46.04
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950236	1	37	-1.0	-43.42	317.36	-2.62	-46.04
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950237	0	38	-1.0	-43.68	324.38	1.40	-42.28
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950237	1	38	-1.0	-43.67	324.44	1.41	-42.26
CN(C)C1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC(C(F)(F)F)=C1	REAL300019950238	0	46	-1.0	-39.83	372.91	3.33	-36.50
CN(C)C1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300019950238	1	46	-1.0	-39.82	372.97	3.33	-36.49
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950239	0	39	-1.0	-37.82	338.50	3.67	-34.15
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950239	1	39	-1.0	-37.79	338.56	3.68	-34.11
CC1=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)SC(SCC(C)C)=N1	REAL300019950240	0	50	-1.0	-40.51	418.31	4.55	-35.96
CC1=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)SC(SCC(C)C)=N1	REAL300019950240	1	50	-1.0	-40.53	418.37	4.55	-35.98
O=C(C1=NN2C=CC=NC2=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950241	0	36	-1.0	-52.90	301.63	3.28	-49.62
O=C(C1=NN2C=CC=NC2=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950241	1	36	-1.0	-52.90	301.57	3.28	-49.62
CC(=CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1=CC=CO1	REAL300019950242	0	39	-1.0	-39.79	315.93	2.32	-37.47
CC(=CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CO1	REAL300019950242	1	39	-1.0	-39.78	315.99	2.32	-37.46
COC1=CC=CC=C1C(F)(F)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950243	0	42	-1.0	-42.18	339.37	2.91	-39.27
COC1=CC=CC=C1C(F)(F)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950243	1	42	-1.0	-42.17	339.43	2.91	-39.26
CC1=NNC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C12	REAL300019950244	0	41	-1.0	-40.59	330.98	1.20	-39.39
CC1=NNC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C12	REAL300019950244	1	41	-1.0	-40.62	331.04	1.20	-39.42
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950245	0	40	-1.0	-48.64	334.62	2.87	-45.77
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950245	1	40	-1.0	-48.65	334.68	2.87	-45.78
NC(=O)N=NC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019950246	0	41	-1.0	-48.09	345.36	-2.53	-50.62
NC(=O)N=NC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019950246	1	41	-1.0	-48.10	345.42	-2.53	-50.63
O=C(C1=CNC(=S)N1C1CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950247	0	40	-1.0	-46.30	334.57	2.65	-43.65
O=C(C1=CNC(=S)N1C1CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950247	1	40	-1.0	-46.29	334.63	2.65	-43.64
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950248	0	45	-1.0	-46.37	368.74	1.71	-44.66
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950248	1	45	-1.0	-46.33	368.80	1.71	-44.62
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950249	0	40	-1.0	-44.64	335.84	0.20	-44.44
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950249	1	40	-1.0	-44.59	335.78	0.20	-44.39
CC1=CC=NC=C1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950250	0	40	-1.0	-41.19	320.86	2.09	-39.10
CC1=CC=NC=C1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950250	1	40	-1.0	-41.20	320.93	2.09	-39.11
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950251	0	45	-1.0	-42.37	383.06	2.27	-40.10
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950251	1	45	-1.0	-42.40	383.12	2.27	-40.13
COCCCN1N=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=CC1=O	REAL300019950252	0	47	-1.0	-43.58	381.34	0.64	-42.94
COCCCN1N=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=CC1=O	REAL300019950252	1	47	-1.0	-43.58	381.40	0.65	-42.93
CC(C)(C)N1C=C(Br)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019950253	0	44	-1.0	-42.84	365.62	3.32	-39.52
CC(C)(C)N1C=C(Br)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL300019950253	1	44	-1.0	-42.81	365.56	3.31	-39.50
O=C(C1=C2C=CSC2=NC=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950254	0	36	-1.0	-41.97	309.62	2.29	-39.68
O=C(C1=C2C=CSC2=NC=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950254	1	36	-1.0	-41.95	309.68	2.29	-39.66
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950255	0	52	-1.0	-41.00	364.89	3.03	-37.97
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CC1=NC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(N)=N1	REAL300019950287	0	38	-1.0	-39.58	308.27	-0.88	-40.46
CC1=NC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(N)=N1	REAL300019950287	1	38	-1.0	-39.57	308.33	-0.88	-40.45
CCC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019950288	0	54	-1.0	-41.76	404.90	3.16	-38.60
CCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019950288	1	54	-1.0	-41.74	404.96	3.16	-38.58
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CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950292	0	48	-1.0	-38.39	370.66	1.43	-36.96
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950292	1	48	-1.0	-38.42	370.72	1.43	-36.99
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CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950293	1	55	-1.0	-44.03	417.36	3.07	-40.96
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CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=N1	REAL300019950299	1	54	0.0	-63.81	394.84	3.12	-60.69
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COC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1CCCC1	REAL300019950305	0	45	-1.0	-38.98	330.78	2.05	-36.93
COC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CCCC1	REAL300019950305	1	45	-1.0	-39.02	330.84	2.05	-36.97
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COC1=CC(OC)=C2C(=O)C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CNC2=C1	REAL300019950324	1	49	-1.0	-57.83	396.46	2.14	-55.69
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CSCC[C@H](NC(N)=O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950342	1	44	-1.0	-49.11	355.89	-1.11	-50.22
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CC1=CCC(C)(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019950344	0	45	-1.0	-37.79	327.97	2.88	-34.91
CC1=CCC(C)(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019950344	1	45	-1.0	-37.78	328.03	2.89	-34.89
CCN1C(=O)NC2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC=C21	REAL300019950345	0	45	-1.0	-43.61	362.24	1.72	-41.89
CCN1C(=O)NC2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CC=C21	REAL300019950345	1	45	-1.0	-43.60	362.30	1.73	-41.87
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CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950347	1	45	-1.0	-38.48	349.44	2.11	-36.37
CC1(C)CCCC(O)(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019950348	0	48	-1.0	-37.11	340.81	1.14	-35.97
CC1(C)CCCC(O)(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950348	1	48	-1.0	-37.10	340.87	1.15	-35.95
COC(=O)N1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019950349	0	46	-1.0	-49.28	355.55	1.00	-48.28
COC(=O)N1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019950349	1	46	-1.0	-49.30	355.61	1.00	-48.30
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CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019950351	0	58	-1.0	-43.10	427.40	4.51	-38.59
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950351	1	58	-1.0	-43.09	427.46	4.51	-38.58
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950352	0	47	-1.0	-46.34	396.58	4.47	-41.87
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950352	1	47	-1.0	-46.34	396.52	4.46	-41.88
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950353	0	58	-1.0	-40.06	446.15	0.91	-39.15
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950353	1	58	-1.0	-40.07	446.21	0.92	-39.15
CN1C(=O)CO[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)[C@H]1C1=CC=CN=C1	REAL300019950354	0	49	-1.0	-41.87	376.83	0.36	-41.51
CN1C(=O)CO[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)[C@H]1C1=CC=CN=C1	REAL300019950354	1	49	-1.0	-41.90	376.89	0.36	-41.54
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950355	0	50	-1.0	-46.11	376.36	2.85	-43.26
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950355	1	50	-1.0	-46.15	376.42	2.85	-43.30
CC(C)(C)OC(=O)C1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1(C)C	REAL300019950356	0	53	-1.0	-41.68	398.57	4.09	-37.59
CC(C)(C)OC(=O)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1(C)C	REAL300019950356	1	53	-1.0	-41.67	398.63	4.10	-37.57
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COC(=O)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC2(CCC2)C1	REAL300019950436	1	48	-1.0	-40.26	369.84	3.23	-37.03
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CC(C)C1=CC=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019950438	0	44	-1.0	-43.51	344.38	4.19	-39.32
CC(C)C1=CC=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019950438	1	44	-1.0	-43.55	344.44	4.20	-39.35
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CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)OC(S(N)(=O)=O)=C1	REAL300019950502	1	40	-1.0	-46.02	340.16	-3.65	-49.67
CSC1=CC=C(O)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019950503	0	40	-1.0	-44.35	334.52	1.22	-43.13
CSC1=CC=C(O)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019950503	1	40	-1.0	-44.33	334.57	1.23	-43.10
CCCCC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(C)C	REAL300019950504	0	49	-1.0	-36.94	351.68	3.64	-33.30
CCCCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(C)C	REAL300019950504	1	49	-1.0	-36.97	351.74	3.65	-33.32
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950505	0	53	-1.0	-46.43	401.08	4.05	-42.38
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950505	1	53	-1.0	-46.41	401.14	4.06	-42.35
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL300019950506	0	45	-1.0	-52.25	372.88	2.65	-49.60
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL300019950506	1	45	-1.0	-52.29	372.94	2.65	-49.64
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019950507	0	54	-1.0	-38.28	368.07	6.52	-31.76
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019950507	1	54	-1.0	-38.25	368.13	6.53	-31.72
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950508	0	39	-1.0	-43.93	331.91	0.60	-43.33
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950508	1	39	-1.0	-43.94	331.97	0.60	-43.34
CC1=CC(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C(C)N1C1=CC=CC=C1	REAL300019950509	0	52	-1.0	-43.05	415.05	7.30	-35.75
CC1=CC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C(C)N1C1=CC=CC=C1	REAL300019950509	1	52	-1.0	-43.07	415.11	7.31	-35.76
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=C21	REAL300019950510	0	43	-1.0	-38.97	359.56	1.70	-37.27
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=C21	REAL300019950510	1	43	-1.0	-38.96	359.62	1.71	-37.25
O=C(C1CCC2(CC2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950511	0	45	-1.0	-43.01	340.86	4.01	-39.00
O=C(C1CCC2(CC2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950511	1	45	-1.0	-43.01	340.92	4.01	-39.00
O=C(C1CCC2=CC(F)=CC=C21)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950512	0	42	-1.0	-39.49	337.16	4.33	-35.16
O=C(C1CCC2=CC(F)=CC=C21)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950512	1	42	-1.0	-39.49	337.22	4.34	-35.15
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1C	REAL300019950513	0	48	-1.0	-39.59	374.37	5.83	-33.76
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1C	REAL300019950513	1	48	-1.0	-39.59	374.43	5.84	-33.75
CCOCCN1C=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=N1	REAL300019950514	0	45	-1.0	-41.16	361.86	0.53	-40.63
CCOCCN1C=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=N1	REAL300019950514	1	45	-1.0	-41.14	361.80	0.52	-40.62
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950515	0	46	-1.0	-38.38	372.56	3.62	-34.76
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950515	1	46	-1.0	-38.39	372.62	3.62	-34.77
O=C(C1=C(C(F)(F)F)SC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950516	0	35	-1.0	-40.72	312.05	2.38	-38.34
O=C(C1=C(C(F)(F)F)SC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950516	1	35	-1.0	-40.71	312.11	2.39	-38.32
CC1=NN(C2CCOCC2)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019950517	0	49	-1.0	-39.43	377.74	1.67	-37.76
CC1=NN(C2CCOCC2)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019950517	1	49	-1.0	-39.40	377.80	1.68	-37.72
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950518	0	54	-1.0	-39.50	401.50	-0.51	-40.01
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950518	1	54	-1.0	-39.52	401.56	-0.51	-40.03
CN1N=C(Cl)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1Cl	REAL300019950519	0	35	-1.0	-40.52	324.42	1.05	-39.47
CN1N=C(Cl)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1Cl	REAL300019950519	1	35	-1.0	-40.54	324.36	1.04	-39.50
O=C(C1CCCC1CC1=CC=CC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950520	0	51	-1.0	-38.61	383.55	6.68	-31.93
O=C(C1CCCC1CC1=CC=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950520	1	51	-1.0	-38.60	383.61	6.68	-31.92
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950521	0	48	-1.0	-39.71	385.30	4.68	-35.03
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950521	1	48	-1.0	-39.67	385.23	4.66	-35.01
CN1C=C(Cl)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019950522	0	35	-1.0	-43.87	300.82	0.86	-43.01
CN1C=C(Cl)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL300019950522	1	35	-1.0	-43.87	300.76	0.85	-43.02
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(C2CCCC2)CCNC1=O	REAL300019950523	0	49	-1.0	-42.10	354.47	-0.22	-42.32
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(C2CCCC2)CCNC1=O	REAL300019950523	1	49	-1.0	-42.15	354.53	-0.21	-42.36
CCOC1=CC=CC(C=CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019950524	0	46	-1.0	-40.18	367.68	3.67	-36.51
CCOC1=CC=CC(C=CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019950524	1	46	-1.0	-40.12	367.75	3.67	-36.45
COC1=CC=C(C=CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019950525	0	43	-1.0	-40.75	345.77	2.76	-37.99
COC1=CC=C(C=CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019950525	1	43	-1.0	-40.78	345.84	2.76	-38.02
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950526	0	38	-1.0	-40.25	331.17	3.88	-36.37
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950526	1	38	-1.0	-40.23	331.23	3.89	-36.34
O=C(C1=C(Cl)SC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950527	0	32	-1.0	-39.64	289.58	1.83	-37.81
O=C(C1=C(Cl)SC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950527	1	32	-1.0	-39.64	289.64	1.84	-37.80
CC1(C)CC1(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300019950528	0	48	-1.0	-38.44	364.39	4.82	-33.62
CC1(C)CC1(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019950528	1	48	-1.0	-38.45	364.45	4.83	-33.62
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950529	0	42	-1.0	-38.78	359.98	3.17	-35.61
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950529	1	42	-1.0	-38.76	360.04	3.17	-35.59
CC(=CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1=CC=CS1	REAL300019950530	0	39	-1.0	-42.35	324.87	3.30	-39.05
CC(=CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300019950530	1	39	-1.0	-42.32	324.93	3.30	-39.02
O=C(C1=CSC=C1C(F)(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950531	0	35	-1.0	-41.58	310.25	2.34	-39.24
O=C(C1=CSC=C1C(F)(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950531	1	35	-1.0	-41.57	310.31	2.34	-39.23
CCCC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019950532	0	47	-1.0	-36.93	381.93	5.37	-31.56
CCCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300019950532	1	47	-1.0	-36.94	381.99	5.37	-31.57
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950533	0	52	-1.0	-42.60	406.84	2.33	-40.27
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950533	1	52	-1.0	-42.65	406.90	2.33	-40.32
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950534	0	45	-1.0	-39.62	358.09	0.82	-38.80
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950534	1	45	-1.0	-39.67	358.15	0.83	-38.84
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950535	0	41	-1.0	-47.32	333.22	-1.34	-48.66
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950535	1	41	-1.0	-47.30	333.28	-1.34	-48.64
CC(C)(C)OC(=O)C1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCCCC1	REAL300019950536	0	59	-1.0	-39.11	406.00	5.71	-33.40
CC(C)(C)OC(=O)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCCCCC1	REAL300019950536	1	59	-1.0	-39.11	406.06	5.71	-33.40
CN1C=C(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)N=N1	REAL300019950537	0	40	-1.0	-46.09	325.71	0.25	-45.84
CN1C=C(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)N=N1	REAL300019950537	1	40	-1.0	-46.11	325.77	0.26	-45.85
CCOCCOCCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950538	0	48	-1.0	-42.01	380.02	1.02	-40.99
CCOCCOCCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950538	1	48	-1.0	-42.03	380.09	1.02	-41.01
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950539	0	43	-1.0	-44.21	363.01	1.63	-42.58
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950539	1	43	-1.0	-44.23	363.07	1.63	-42.60
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019950540	0	44	-1.0	-42.40	370.15	2.85	-39.55
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019950540	1	44	-1.0	-42.44	370.21	2.86	-39.58
COC1=CC=CC(C(OC)C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019950541	0	46	-1.0	-41.40	364.82	2.40	-39.00
COC1=CC=CC(C(OC)C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019950541	1	46	-1.0	-41.40	364.88	2.41	-38.99
COCCOCCOCCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950542	0	52	-1.0	-43.77	413.65	0.38	-43.39
COCCOCCOCCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950542	1	52	-1.0	-43.74	413.71	0.38	-43.36
COC1=CC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C2C=C1OC	REAL300019950543	0	49	-1.0	-42.51	386.49	3.70	-38.81
COC1=CC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2C=C1OC	REAL300019950543	1	49	-1.0	-42.56	386.55	3.71	-38.85
CSC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C(C)O1	REAL300019950544	0	39	-1.0	-41.79	330.09	2.37	-39.42
CSC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C(C)O1	REAL300019950544	1	39	-1.0	-41.77	330.15	2.38	-39.39
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950545	0	47	-1.0	-48.96	359.24	1.48	-47.48
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950545	1	47	-1.0	-49.04	359.30	1.48	-47.56
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL300019950546	0	48	-2.0	-106.65	393.81	2.93	-103.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019950546	1	48	-2.0	-106.70	393.88	2.93	-103.77
CC(=O)NC1=CNC(=O)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019950547	0	42	-1.0	-59.16	343.95	-1.86	-61.02
CC(=O)NC1=CNC(=O)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019950547	1	42	-1.0	-59.11	344.02	-1.85	-60.96
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C(N2C=CC=C2)S1	REAL300019950548	0	43	-1.0	-41.95	355.71	4.94	-37.01
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C(N2C=CC=C2)S1	REAL300019950548	1	43	-1.0	-41.94	355.77	4.95	-36.99
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950549	0	41	-2.0	-91.37	338.10	1.62	-89.75
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950549	1	41	-2.0	-91.37	338.16	1.63	-89.74
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950549	1	41	-2.0	-91.24	338.26	1.65	-89.59
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950549	1	41	-2.0	-91.24	338.20	1.64	-89.60
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950550	0	38	-2.0	-80.90	324.20	-0.25	-81.15
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950550	1	38	-2.0	-80.87	324.14	-0.25	-81.12
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950550	1	38	-2.0	-80.85	324.27	-0.25	-81.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950550	1	38	-2.0	-80.86	324.21	-0.25	-81.11
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950551	0	47	-1.0	-47.51	392.91	2.02	-45.49
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C[N@@H+]1CCCC1CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950563	0	47	0.0	-59.13	351.49	3.53	-55.60
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CN1CCOC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1=O	REAL300019950589	0	40	-1.0	-46.72	313.13	-0.49	-47.21
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CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950667	0	49	-1.0	-41.44	381.90	-3.21	-44.65
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950667	1	49	-1.0	-41.46	381.96	-3.20	-44.66
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COC1=CC(CO)=CC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950671	1	43	-1.0	-49.03	345.70	-0.40	-49.43
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COC1=CC(OC)=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1C=O	REAL300019950673	1	45	-1.0	-50.97	362.07	2.07	-48.90
NC1=C2N=CN(CCCC(=O)N3CCN(CC4=N[N-]N=N4)CC3)C2=NC=N1	REAL300019950674	0	47	-1.0	-47.99	382.51	3.14	-44.85
NC1=C2N=CN(CCCC(=O)N3CCN(CC4=NN=N[N-]4)CC3)C2=NC=N1	REAL300019950674	1	47	-1.0	-48.00	382.57	3.14	-44.86
NC1=C2N=CN(CCCCC(=O)N3CCN(CC4=N[N-]N=N4)CC3)C2=NC=N1	REAL300019950675	0	50	-1.0	-45.53	404.02	3.91	-41.62
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CC(C)(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)[NH+]1CCCCC1	REAL300019950676	0	50	0.0	-45.10	345.09	2.96	-42.14
CC(C)(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300019950676	1	50	0.0	-45.08	345.15	2.96	-42.12
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CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(Cl)=NN1	REAL300019950678	0	35	-1.0	-42.10	306.85	-0.08	-42.18
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(Cl)=NN1	REAL300019950678	1	35	-1.0	-42.09	306.91	-0.08	-42.17
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CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019950680	0	55	-1.0	-41.16	414.99	3.41	-37.75
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950680	1	55	-1.0	-41.18	415.05	3.41	-37.77
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CS(C)(=O)=NC1=CC=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019950682	0	45	-1.0	-57.35	361.62	0.18	-57.17
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019950682	1	45	-1.0	-57.35	361.68	0.18	-57.17
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CC1CCC2=NC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CN2C1	REAL300019950683	1	45	-1.0	-46.09	348.80	3.88	-42.21
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O=CC1=CC=C(C=CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019950700	1	41	-1.0	-48.27	339.53	3.17	-45.10
O=CC1=CC(F)=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1F	REAL300019950701	0	37	-1.0	-48.03	317.54	2.13	-45.90
O=CC1=CC(F)=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1F	REAL300019950701	1	37	-1.0	-48.02	317.60	2.14	-45.88
CN1CCOC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C21	REAL300019950702	0	45	-1.0	-41.05	347.94	0.82	-40.23
CN1CCOC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C21	REAL300019950702	1	45	-1.0	-41.06	348.00	0.83	-40.23
CC1CCN2C=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)N=C2C1	REAL300019950703	0	45	-1.0	-46.30	348.72	3.89	-42.41
CC1CCN2C=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)N=C2C1	REAL300019950703	1	45	-1.0	-46.33	348.78	3.89	-42.44
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950704	0	51	0.0	-51.28	357.27	1.21	-50.07
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950704	1	51	0.0	-51.24	357.34	1.22	-50.02
CC(C)(CN1CCOCC1)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950704	1	50	-1.0	-43.99	357.93	0.31	-43.68
CC(C)(CN1CCOCC1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950704	1	50	-1.0	-43.98	357.99	0.31	-43.67
CN1CC[N@H+](C)CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019950705	0	49	0.0	-56.16	348.90	0.61	-55.55
CN1CC[N@@H+](C)CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019950705	1	49	0.0	-63.37	354.26	0.90	-62.47
CN1CC[N@H+](C)CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950705	1	49	0.0	-56.14	348.96	0.61	-55.53
CN1CC[N@@H+](C)CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950705	1	49	0.0	-63.34	354.32	0.90	-62.44
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953202	0	51	-1.0	-37.90	404.14	6.74	-31.16
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953202	1	51	-1.0	-37.87	404.20	6.74	-31.13
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953203	0	41	-1.0	-41.62	351.50	3.24	-38.38
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953203	1	41	-1.0	-41.61	351.44	3.23	-38.38
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953204	0	41	-1.0	-41.26	361.82	3.69	-37.57
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953204	1	41	-1.0	-41.24	361.76	3.69	-37.55
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953205	0	41	-1.0	-42.12	361.76	3.68	-38.44
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953205	1	41	-1.0	-42.10	361.69	3.68	-38.42
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)NC2=CC(F)=CC(F)=C21	REAL300019953206	0	42	-1.0	-38.43	350.83	2.93	-35.50
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)NC2=CC(F)=CC(F)=C21	REAL300019953206	1	42	-1.0	-38.44	350.89	2.93	-35.51
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953207	0	58	-1.0	-40.86	435.41	2.55	-38.31
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953207	1	58	-1.0	-40.86	435.47	2.56	-38.30
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953208	0	35	-1.0	-40.40	312.83	2.90	-37.50
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953208	1	35	-1.0	-40.48	312.90	2.91	-37.57
COC(=O)CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019953209	0	44	-1.0	-45.06	360.36	3.72	-41.34
COC(=O)CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019953209	1	44	-1.0	-45.09	360.42	3.72	-41.37
NC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C(F)C(F)=C1F	REAL300019953210	0	37	-1.0	-37.20	314.50	0.55	-36.65
NC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C(F)C(F)=C1F	REAL300019953210	1	37	-1.0	-37.21	314.56	0.56	-36.65
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953211	0	58	-1.0	-54.31	431.25	4.23	-50.08
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953211	1	58	-1.0	-54.28	431.31	4.24	-50.04
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953212	0	52	-1.0	-47.49	392.24	2.95	-44.54
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953212	1	52	-1.0	-47.47	392.31	2.96	-44.51
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953213	0	60	-1.0	-38.55	426.48	3.49	-35.06
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953213	1	60	-1.0	-38.53	426.55	3.49	-35.04
O=C(C1=C(Br)C=CN=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953214	0	34	-1.0	-42.02	309.57	1.15	-40.87
O=C(C1=C(Br)C=CN=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953214	1	34	-1.0	-42.02	309.51	1.15	-40.87
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953215	0	37	-1.0	-39.04	319.50	0.52	-38.52
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953215	1	37	-1.0	-39.09	319.56	0.53	-38.56
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CO1	REAL300019953216	0	51	-1.0	-44.36	408.10	-1.36	-45.72
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CO1	REAL300019953216	1	51	-1.0	-44.34	408.16	-1.35	-45.69
CN(C)C1=CC=C(Br)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953217	0	43	-1.0	-40.57	356.69	3.33	-37.24
CN(C)C1=CC=C(Br)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953217	1	43	-1.0	-40.55	356.75	3.33	-37.22
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953218	0	45	-1.0	-50.04	362.38	0.42	-49.62
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953218	1	45	-1.0	-50.02	362.45	0.43	-49.59
O=C(C1=NN2CC(F)CC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953219	0	39	-1.0	-45.57	316.66	1.58	-43.99
O=C(C1=NN2CC(F)CC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953219	1	39	-1.0	-45.56	316.72	1.58	-43.98
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C12CCN(CCC1)S2(=O)=O	REAL300019953220	0	44	-1.0	-44.96	335.14	-1.49	-46.45
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CCN(CCC1)S2(=O)=O	REAL300019953220	1	44	-1.0	-44.93	335.20	-1.49	-46.42
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953221	0	44	-1.0	-51.41	362.40	1.76	-49.65
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953221	1	44	-1.0	-51.42	362.34	1.75	-49.67
CC1=CC=CC(C2(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)CC2(F)F)=C1	REAL300019953222	0	45	-1.0	-40.67	364.98	4.96	-35.71
CC1=CC=CC(C2(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)CC2(F)F)=C1	REAL300019953222	1	45	-1.0	-40.65	365.04	4.97	-35.68
O=C(C1=C(C2CC2)ON=C1Br)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953223	0	38	-1.0	-37.50	338.22	2.54	-34.96
O=C(C1=C(C2CC2)ON=C1Br)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953223	1	38	-1.0	-37.54	338.28	2.54	-35.00
N#CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC2C=CC1C2	REAL300019953224	0	41	-1.0	-39.46	318.54	2.71	-36.75
N#CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC2C=CC1C2	REAL300019953224	1	41	-1.0	-39.50	318.60	2.71	-36.79
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953225	0	36	-1.0	-42.20	316.59	1.45	-40.75
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953225	1	36	-1.0	-42.19	316.65	1.45	-40.74
CC1=CC2=C(C=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)N2)O1	REAL300019953226	0	39	-1.0	-40.78	316.81	1.64	-39.14
CC1=CC2=C(C=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)N2)O1	REAL300019953226	1	39	-1.0	-40.76	316.87	1.64	-39.12
CC(C)C1=CNC2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=NC2=C1	REAL300019953227	0	47	-1.0	-56.55	370.90	3.20	-53.35
CC(C)C1=CNC2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=NC2=C1	REAL300019953227	1	47	-1.0	-56.52	370.96	3.21	-53.31
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953229	0	37	-1.0	-56.14	326.96	1.75	-54.39
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953229	1	37	-1.0	-56.17	327.02	1.75	-54.42
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953230	0	58	-1.0	-39.66	440.82	0.34	-39.32
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953230	1	58	-1.0	-39.64	440.88	0.35	-39.29
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953231	0	42	-1.0	-40.68	354.21	5.11	-35.57
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953231	1	42	-1.0	-40.70	354.27	5.12	-35.58
C=CCN(CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300019953232	0	55	-1.0	-42.49	428.56	3.93	-38.56
C=CCN(CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300019953232	1	55	-1.0	-42.50	428.62	3.93	-38.57
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953233	0	58	-1.0	-43.62	435.15	3.61	-40.01
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953233	1	58	-1.0	-43.68	435.21	3.62	-40.06
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=CC2=CC=CC=C21	REAL300019953234	0	44	-1.0	-40.78	344.42	5.05	-35.73
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=CC2=CC=CC=C21	REAL300019953234	1	44	-1.0	-40.77	344.48	5.06	-35.71
COC1=CC=CC(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL300019953235	0	44	-1.0	-40.86	355.31	0.53	-40.33
COC1=CC=CC(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019953235	1	44	-1.0	-40.82	355.37	0.54	-40.28
CN1N=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C2=C1CCOC2	REAL300019953236	0	43	-1.0	-47.58	337.81	0.63	-46.95
CN1N=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C2=C1CCOC2	REAL300019953236	1	43	-1.0	-47.62	337.87	0.64	-46.98
CC1=CC=CC([C@@H](C)C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953237	0	44	-1.0	-38.32	346.48	4.39	-33.93
CC1=CC=CC([C@@H](C)C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953237	1	44	-1.0	-38.33	346.54	4.39	-33.94
COC1=CC(C)=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=N1	REAL300019953238	0	41	-1.0	-39.30	330.11	-0.36	-39.66
COC1=CC(C)=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=N1	REAL300019953238	1	41	-1.0	-39.26	330.17	-0.36	-39.62
CC1=CC=C(C2(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)CCC(=O)CC2)C=C1	REAL300019953239	0	53	-1.0	-38.99	392.11	5.14	-33.85
CC1=CC=C(C2(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)CCC(=O)CC2)C=C1	REAL300019953239	1	53	-1.0	-38.98	392.17	5.14	-33.84
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(C2CCOCC2)CC1(F)F	REAL300019953240	0	46	-1.0	-39.46	349.91	1.45	-38.01
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(C2CCOCC2)CC1(F)F	REAL300019953240	1	46	-1.0	-39.47	349.97	1.45	-38.02
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C21	REAL300019953241	0	43	-1.0	-40.80	363.09	1.34	-39.46
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C21	REAL300019953241	1	43	-1.0	-40.81	363.03	1.34	-39.47
CN1C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC2=C1C=CS2	REAL300019953242	0	39	-1.0	-40.74	323.20	2.92	-37.82
CN1C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC2=C1C=CS2	REAL300019953242	1	39	-1.0	-40.78	323.26	2.92	-37.86
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=NN1CC(F)F	REAL300019953243	0	41	-1.0	-43.87	340.69	1.65	-42.22
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=NN1CC(F)F	REAL300019953243	1	41	-1.0	-43.90	340.75	1.66	-42.24
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=NN1C1CCC1	REAL300019953244	0	45	-1.0	-42.21	353.10	2.76	-39.45
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=NN1C1CCC1	REAL300019953244	1	45	-1.0	-42.27	353.16	2.76	-39.51
O=C(C1=C2CCCCC2=CN1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953245	0	43	-1.0	-40.21	336.25	2.63	-37.58
O=C(C1=C2CCCCC2=CN1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953245	1	43	-1.0	-40.25	336.31	2.64	-37.61
COCCOCC=CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953246	0	43	-1.0	-48.97	348.81	-0.19	-49.16
COCCOCC=CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953246	1	43	-1.0	-48.94	348.87	-0.19	-49.13
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CO1	REAL300019953247	0	56	-1.0	-44.82	425.24	0.00	-44.82
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CO1	REAL300019953247	1	56	-1.0	-44.83	425.30	0.00	-44.83
COC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019953248	0	53	-1.0	-43.49	410.20	1.01	-42.48
COC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019953248	1	53	-1.0	-43.52	410.26	1.02	-42.50
CC1=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)SC=C1	REAL300019953249	0	38	-1.0	-39.44	317.94	3.00	-36.44
CC1=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)SC=C1	REAL300019953249	1	38	-1.0	-39.47	318.00	3.01	-36.46
CCC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)N1C=NC=N1	REAL300019953250	0	40	-1.0	-39.06	322.08	2.86	-36.20
CCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)N1C=NC=N1	REAL300019953250	1	40	-1.0	-39.10	322.14	2.86	-36.24
CC1=NN(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(C)=C1C	REAL300019953251	0	44	-1.0	-44.26	350.14	2.30	-41.96
CC1=NN(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(C)=C1C	REAL300019953251	1	44	-1.0	-44.25	350.20	2.31	-41.94
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL300019953252	0	52	-1.0	-44.62	405.14	1.03	-43.59
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019953252	1	52	-1.0	-44.63	405.20	1.03	-43.60
C#CCC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCOC1	REAL300019953253	0	41	-1.0	-38.36	317.31	0.40	-37.96
C#CCC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCOC1	REAL300019953253	1	41	-1.0	-38.37	317.37	0.41	-37.96
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953254	0	38	-1.0	-41.64	330.42	3.56	-38.08
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953254	1	38	-1.0	-41.67	330.48	3.56	-38.11
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019953255	0	42	-1.0	-39.79	350.27	4.52	-35.27
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019953255	1	42	-1.0	-39.82	350.33	4.52	-35.30
CC(=O)C1=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CS1	REAL300019953256	0	36	-1.0	-49.08	312.77	0.69	-48.39
CC(=O)C1=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CS1	REAL300019953256	1	36	-1.0	-49.01	312.83	0.69	-48.32
COC1=NN(C)C(Br)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953257	0	39	-1.0	-42.30	344.57	-1.33	-43.63
COC1=NN(C)C(Br)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953257	1	39	-1.0	-42.29	344.51	-1.34	-43.63
CC(=O)NC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(F)=C1	REAL300019953258	0	42	-1.0	-48.62	345.82	1.25	-47.37
CC(=O)NC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(F)=C1	REAL300019953258	1	42	-1.0	-48.65	345.88	1.25	-47.40
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953259	0	38	-1.0	-41.42	330.14	2.53	-38.89
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953259	1	38	-1.0	-41.37	330.20	2.53	-38.84
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=C2)CC1	REAL300019953260	0	48	-1.0	-48.02	395.22	1.77	-46.25
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=C2)CC1	REAL300019953260	1	48	-1.0	-48.02	395.28	1.79	-46.23
CC1=C2C=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)SC2=C(C)S1	REAL300019953261	0	41	-1.0	-41.30	354.42	4.18	-37.12
CC1=C2C=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)SC2=C(C)S1	REAL300019953261	1	41	-1.0	-41.33	354.48	4.19	-37.14
O=C(C1=CN2N=CC=C2C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953262	0	38	-1.0	-41.50	314.76	1.86	-39.64
O=C(C1=CN2N=CC=C2C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953262	1	38	-1.0	-41.52	314.82	1.87	-39.65
O=C(C1CCCC2=NN=CN21)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953263	0	41	-1.0	-44.54	318.57	3.03	-41.51
O=C(C1CCCC2=NN=CN21)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953263	1	41	-1.0	-44.56	318.63	3.04	-41.52
CC1(C)CCCC(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL300019953264	0	48	-1.0	-40.59	357.43	3.38	-37.21
CC1(C)CCCC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL300019953264	1	48	-1.0	-40.60	357.49	3.39	-37.21
COC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1=CC=CN=C1	REAL300019953265	0	41	-1.0	-41.28	329.40	1.31	-39.97
COC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CN=C1	REAL300019953265	1	41	-1.0	-41.28	329.46	1.32	-39.96
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953266	0	58	-1.0	-42.49	427.21	2.10	-40.39
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953266	1	58	-1.0	-42.50	427.27	2.10	-40.40
CCN1C(=O)CCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953267	0	42	-1.0	-41.90	327.48	1.05	-40.85
CCN1C(=O)CCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953267	1	42	-1.0	-41.92	327.54	1.06	-40.86
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953268	0	38	-1.0	-44.35	353.89	4.73	-39.62
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953268	1	38	-1.0	-44.37	353.96	4.73	-39.64
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCN(CC3=N[N-]N=N3)CC1)C2	REAL300019953269	0	47	-1.0	-54.53	355.14	-0.72	-55.25
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCN(CC3=NN=N[N-]3)CC1)C2	REAL300019953269	1	47	-1.0	-54.54	355.20	-0.72	-55.26
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953270	0	42	-1.0	-42.51	348.23	4.79	-37.72
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953270	1	42	-1.0	-42.51	348.29	4.80	-37.71
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCN(CC3=N[N-]N=N3)CC1)=C2	REAL300019953271	0	49	-1.0	-48.94	392.34	4.23	-44.71
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCN(CC3=NN=N[N-]3)CC1)=C2	REAL300019953271	1	49	-1.0	-48.94	392.41	4.23	-44.71
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953272	0	43	-1.0	-52.70	352.27	3.19	-49.51
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953272	1	43	-1.0	-52.70	352.33	3.20	-49.50
COC1=CC2=NC=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=C2C=C1	REAL300019953273	0	44	-1.0	-45.32	350.92	1.58	-43.74
COC1=CC2=NC=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=C2C=C1	REAL300019953273	1	44	-1.0	-45.31	350.98	1.58	-43.73
O=C(C1=CC=NC2=C1CCC2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953274	0	41	-1.0	-43.19	324.80	2.41	-40.78
O=C(C1=CC=NC2=C1CCC2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953274	1	41	-1.0	-43.15	324.86	2.41	-40.74
CCSC1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019953275	0	48	-1.0	-38.08	372.27	4.65	-33.43
CCSC1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019953275	1	48	-1.0	-38.08	372.33	4.66	-33.42
CC1=CC(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC(C)=N1	REAL300019953276	0	46	-1.0	-39.89	367.03	3.23	-36.66
CC1=CC(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC(C)=N1	REAL300019953276	1	46	-1.0	-39.92	367.09	3.23	-36.69
CC1=CC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019953277	0	44	-1.0	-40.46	350.02	4.82	-35.64
CC1=CC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019953277	1	44	-1.0	-40.44	350.08	4.82	-35.62
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953278	0	58	-1.0	-45.44	436.88	3.94	-41.50
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953278	1	58	-1.0	-45.47	436.94	3.95	-41.52
O=C(CCC1=CC=CC(=O)N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953279	0	41	-1.0	-45.67	333.56	0.56	-45.11
O=C(CCC1=CC=CC(=O)N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953279	1	41	-1.0	-45.66	333.62	0.57	-45.09
O=C(C1=CSC(Cl)=C1Cl)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953280	0	32	-1.0	-44.16	306.10	2.39	-41.77
O=C(C1=CSC(Cl)=C1Cl)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953280	1	32	-1.0	-44.15	306.16	2.39	-41.76
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953281	0	47	-1.0	-48.29	374.91	1.36	-46.93
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953281	1	47	-1.0	-48.25	374.98	1.36	-46.89
CC1=NN(C2CCC2)C=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953282	0	45	-1.0	-40.45	351.72	2.62	-37.83
CC1=NN(C2CCC2)C=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953282	1	45	-1.0	-40.44	351.78	2.62	-37.82
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953283	0	42	-1.0	-43.61	347.23	3.11	-40.50
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953283	1	42	-1.0	-43.56	347.17	3.11	-40.45
O=C(C1=CNC=C1Br)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953284	0	33	-1.0	-49.05	290.79	0.80	-48.25
O=C(C1=CNC=C1Br)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953284	1	33	-1.0	-49.01	290.85	0.80	-48.21
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953285	0	45	-1.0	-46.27	380.74	1.92	-44.35
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953285	1	45	-1.0	-46.31	380.80	1.93	-44.38
CCC1=C(C)SC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953286	0	41	-1.0	-39.51	335.14	3.48	-36.03
CCC1=C(C)SC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953286	1	41	-1.0	-39.48	335.20	3.48	-36.00
O=C(C1CC(OC(F)(F)F)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953287	0	39	-1.0	-37.63	326.53	1.11	-36.52
O=C(C1CC(OC(F)(F)F)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953287	1	39	-1.0	-37.69	326.59	1.12	-36.57
CS(=O)(=O)C1=COC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953288	0	38	-1.0	-47.85	327.98	-2.02	-49.87
CS(=O)(=O)C1=COC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953288	1	38	-1.0	-47.86	328.04	-2.03	-49.89
O=C(CC1=CC=C2COCCC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953289	0	46	-1.0	-41.59	362.27	3.43	-38.16
O=C(CC1=CC=C2COCCC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953289	1	46	-1.0	-41.58	362.33	3.43	-38.15
O=C(CC1=CC=C2CCOCC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953290	0	46	-1.0	-41.58	362.28	3.41	-38.17
O=C(CC1=CC=C2CCOCC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953290	1	46	-1.0	-41.58	362.34	3.41	-38.17
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953291	0	44	-1.0	-40.25	359.11	3.85	-36.40
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953291	1	44	-1.0	-40.29	359.05	3.85	-36.44
CC1=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC=C1Br	REAL300019953292	0	37	-1.0	-39.41	317.91	2.48	-36.93
CC1=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC=C1Br	REAL300019953292	1	37	-1.0	-39.38	317.97	2.49	-36.89
COC1=CC(Br)=CN=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953293	0	38	-1.0	-44.86	328.42	1.74	-43.12
COC1=CC(Br)=CN=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953293	1	38	-1.0	-44.85	328.35	1.74	-43.11
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953294	0	44	-1.0	-49.30	365.26	-0.15	-49.45
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953294	1	44	-1.0	-49.33	365.32	-0.15	-49.48
O=C(C1CCOC(=O)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953295	0	41	-1.0	-43.52	314.10	1.66	-41.86
O=C(C1CCOC(=O)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953295	1	41	-1.0	-43.51	314.16	1.67	-41.84
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953296	0	42	-1.0	-45.37	347.66	3.22	-42.15
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953296	1	42	-1.0	-45.34	347.72	3.23	-42.11
CCN1N=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1C	REAL300019953297	0	40	-1.0	-44.09	319.09	0.53	-43.56
CCN1N=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1C	REAL300019953297	1	40	-1.0	-44.10	319.15	0.54	-43.56
CCC1=CC=C(N2C=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)N=N2)C=C1	REAL300019953298	0	47	-1.0	-43.02	380.88	4.01	-39.01
CCC1=CC=C(N2C=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)N=N2)C=C1	REAL300019953298	1	47	-1.0	-43.06	380.82	4.00	-39.06
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953299	0	40	-2.0	-79.66	346.09	0.84	-78.82
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953299	1	40	-2.0	-79.61	346.15	0.85	-78.76
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953300	0	45	-1.0	-46.30	384.51	4.82	-41.48
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953300	1	45	-1.0	-46.29	384.45	4.82	-41.47
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CN(C)C1=O	REAL300019953301	0	41	-1.0	-43.48	332.57	1.56	-41.92
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CN(C)C1=O	REAL300019953301	1	41	-1.0	-43.46	332.63	1.57	-41.89
O=C(CC1CCCC(F)(F)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953302	0	44	-1.0	-39.75	339.53	3.72	-36.03
O=C(CC1CCCC(F)(F)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953302	1	44	-1.0	-39.75	339.59	3.72	-36.03
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953303	0	56	-1.0	-38.82	423.85	6.85	-31.97
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953303	1	56	-1.0	-38.80	423.91	6.86	-31.94
O=C(CC1CC(C(F)F)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953304	0	41	-1.0	-41.03	326.17	3.19	-37.84
O=C(CC1CC(C(F)F)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953304	1	41	-1.0	-41.04	326.23	3.19	-37.85
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953305	0	46	-1.0	-39.60	369.25	4.02	-35.58
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953305	1	46	-1.0	-39.57	369.31	4.03	-35.54
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953306	0	43	-1.0	-43.58	357.41	2.04	-41.54
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953306	1	43	-1.0	-43.57	357.48	2.04	-41.53
CC1(C)CCC(=O)C2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC=C21	REAL300019953307	0	50	-1.0	-50.33	382.68	4.70	-45.63
CC1(C)CCC(=O)C2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CC=C21	REAL300019953307	1	50	-1.0	-50.35	382.74	4.70	-45.65
CC1=CC(Cl)=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)S1	REAL300019953308	0	35	-1.0	-39.31	310.77	2.60	-36.71
CC1=CC(Cl)=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)S1	REAL300019953308	1	35	-1.0	-39.33	310.82	2.60	-36.73
O=C(C1CCC(=O)N(C2CC2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953309	0	46	-1.0	-45.55	351.09	2.01	-43.54
O=C(C1CCC(=O)N(C2CC2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953309	1	46	-1.0	-45.55	351.15	2.01	-43.54
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953310	0	51	-1.0	-40.57	391.54	1.80	-38.77
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953310	1	51	-1.0	-40.56	391.60	1.81	-38.75
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953311	0	48	-1.0	-42.72	380.41	3.77	-38.95
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953311	1	48	-1.0	-42.72	380.47	3.78	-38.94
N#CC1=CN=C(Cl)C=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953312	0	35	-1.0	-44.96	314.94	1.21	-43.75
N#CC1=CN=C(Cl)C=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953312	1	35	-1.0	-44.94	314.88	1.21	-43.73
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953313	0	40	-1.0	-53.20	325.41	0.67	-52.53
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953313	1	40	-1.0	-53.23	325.47	0.67	-52.56
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953314	0	45	-1.0	-42.01	363.43	2.05	-39.96
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953314	1	45	-1.0	-42.07	363.49	2.06	-40.01
CCC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1Cl	REAL300019953315	0	41	-1.0	-43.19	340.78	4.12	-39.07
CCC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300019953315	1	41	-1.0	-43.22	340.84	4.13	-39.09
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953316	0	49	-1.0	-42.53	386.63	1.26	-41.27
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953316	1	49	-1.0	-42.50	386.56	1.26	-41.24
O=C(C1=CC=C(CC2CC2)C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953317	0	45	-1.0	-38.87	357.65	4.95	-33.92
O=C(C1=CC=C(CC2CC2)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953317	1	45	-1.0	-38.89	357.71	4.95	-33.94
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953318	0	38	-1.0	-40.34	331.00	2.89	-37.45
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953318	1	38	-1.0	-40.37	331.06	2.89	-37.48
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953319	0	37	-1.0	-47.33	331.58	2.32	-45.01
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953319	1	37	-1.0	-47.29	331.52	2.31	-44.98
N#CC1=CC=C(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(F)=C1	REAL300019953320	0	42	-1.0	-40.75	355.22	4.18	-36.57
N#CC1=CC=C(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(F)=C1	REAL300019953320	1	42	-1.0	-40.76	355.28	4.19	-36.57
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953321	0	41	-1.0	-46.96	341.02	-0.42	-47.38
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953321	1	41	-1.0	-46.94	341.08	-0.42	-47.36
O=C(C1=CN=C2CCCCC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953322	0	44	-1.0	-40.24	340.13	2.80	-37.44
O=C(C1=CN=C2CCCCC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953322	1	44	-1.0	-40.24	340.19	2.82	-37.42
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953323	0	43	-1.0	-42.55	350.38	4.28	-38.27
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953323	1	43	-1.0	-42.54	350.44	4.28	-38.26
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953324	0	45	-1.0	-39.15	358.63	5.26	-33.89
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953324	1	45	-1.0	-39.16	358.70	5.27	-33.89
COCCN1C=CC2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC=C21	REAL300019953325	0	49	-1.0	-46.04	392.49	3.65	-42.39
COCCN1C=CC2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CC=C21	REAL300019953325	1	49	-1.0	-46.08	392.55	3.65	-42.43
CC(C)N1C=CC2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC=C21	REAL300019953326	0	48	-1.0	-42.34	376.10	5.03	-37.31
CC(C)N1C=CC2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CC=C21	REAL300019953326	1	48	-1.0	-42.37	376.16	5.03	-37.34
O=C(C=CC1=CC=C2OCOC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953327	0	42	-1.0	-40.97	342.40	2.12	-38.85
O=C(C=CC1=CC=C2OCOC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953327	1	42	-1.0	-40.95	342.46	2.13	-38.82
CC1(C)COCCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953328	0	45	-1.0	-38.16	325.87	1.40	-36.76
CC1(C)COCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953328	1	45	-1.0	-38.18	325.93	1.40	-36.78
O=C(C1=CC=CC2=NN=CN21)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953329	0	37	-1.0	-45.73	309.15	3.42	-42.31
O=C(C1=CC=CC2=NN=CN21)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953329	1	37	-1.0	-45.71	309.21	3.43	-42.28
C=CCOCC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(C)(C)C	REAL300019953330	0	51	-1.0	-37.07	377.10	3.13	-33.94
C=CCOCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(C)(C)C	REAL300019953330	1	51	-1.0	-37.08	377.16	3.13	-33.95
CC12CCCN1S(=O)(=O)C(C(=O)N1CCN(CC3=N[N-]N=N3)CC1)C2	REAL300019953331	0	47	-1.0	-51.35	367.58	-1.11	-52.46
CC12CCCN1S(=O)(=O)C(C(=O)N1CCN(CC3=NN=N[N-]3)CC1)C2	REAL300019953331	1	47	-1.0	-51.36	367.64	-1.11	-52.47
CN1N=CC(C(F)F)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953332	0	38	-1.0	-43.13	324.76	1.09	-42.04
CN1N=CC(C(F)F)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953332	1	38	-1.0	-43.12	324.69	1.09	-42.03
CC1=NN(C2CCC2)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953333	0	45	-1.0	-39.30	349.98	2.84	-36.46
CC1=NN(C2CCC2)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953333	1	45	-1.0	-39.30	350.04	2.84	-36.46
O=C(C1=CC=NN1CCC(F)(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953334	0	41	-1.0	-38.37	340.45	1.99	-36.38
O=C(C1=CC=NN1CCC(F)(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953334	1	41	-1.0	-38.36	340.39	1.98	-36.38
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953335	0	46	-1.0	-40.91	379.91	4.55	-36.36
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953335	1	46	-1.0	-40.89	379.97	4.56	-36.33
CC1(C)CCCOC1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953336	0	48	-1.0	-39.02	351.23	2.67	-36.35
CC1(C)CCCOC1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953336	1	48	-1.0	-39.03	351.29	2.67	-36.36
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953337	0	41	-1.0	-41.28	355.02	1.38	-39.90
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953337	1	41	-1.0	-41.32	355.08	1.39	-39.93
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953338	0	39	-1.0	-38.91	338.59	4.00	-34.91
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953338	1	39	-1.0	-38.90	338.65	4.01	-34.89
CC(=O)NC(COC(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953339	0	48	-1.0	-43.42	372.55	0.12	-43.30
CC(=O)NC(COC(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953339	1	48	-1.0	-43.45	372.62	0.12	-43.33
CC1(C)OCC(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL300019953340	0	46	-1.0	-39.65	360.36	1.50	-38.15
CC1(C)OCC(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL300019953340	1	46	-1.0	-39.60	360.42	1.50	-38.10
CCCCOC1=CC=C(C=CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019953341	0	52	-1.0	-39.46	410.62	5.26	-34.20
CCCCOC1=CC=C(C=CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019953341	1	52	-1.0	-39.45	410.69	5.27	-34.18
COC1=CC2=CC=C(CC(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019953342	0	48	-1.0	-42.53	384.03	4.86	-37.67
COC1=CC2=CC=C(CC(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019953342	1	48	-1.0	-42.51	384.09	4.87	-37.64
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953343	0	53	-1.0	-37.42	387.75	5.76	-31.66
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953343	1	53	-1.0	-37.43	387.81	5.76	-31.67
COC1=CC=C(Br)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1C	REAL300019953344	0	42	-1.0	-41.04	355.78	2.90	-38.14
COC1=CC=C(Br)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1C	REAL300019953344	1	42	-1.0	-41.01	355.84	2.90	-38.11
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953345	0	41	-1.0	-40.03	348.87	0.20	-39.83
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953345	1	41	-1.0	-40.06	348.93	0.20	-39.86
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953346	0	45	-1.0	-57.12	374.74	1.80	-55.32
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953346	1	45	-1.0	-57.09	374.80	1.80	-55.29
CC12CCC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)(CC1)OC2	REAL300019953347	0	46	-1.0	-42.29	337.38	2.17	-40.12
CC12CCC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)(CC1)OC2	REAL300019953347	1	46	-1.0	-42.31	337.44	2.18	-40.13
O=C(C1=CC=C2C=COC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953348	0	38	-1.0	-46.62	310.44	2.27	-44.35
O=C(C1=CC=C2C=COC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953348	1	38	-1.0	-46.62	310.50	2.28	-44.34
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O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953349	1	35	-1.0	-36.73	316.96	3.01	-33.72
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C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953376	0	49	-1.0	-45.83	384.49	1.30	-44.53
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953376	1	49	-1.0	-45.78	384.55	1.31	-44.47
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C[C@@H]1CC2=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)NN=C2[C@H](C)O1	REAL300019953379	0	46	-1.0	-45.11	358.67	0.81	-44.30
C[C@@H]1CC2=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)NN=C2[C@H](C)O1	REAL300019953379	1	46	-1.0	-45.13	358.73	0.81	-44.32
C[C@@H]1CC2=C(NN=C2C(=O)N2CCN(CC3=N[N-]N=N3)CC2)[C@H](C)O1	REAL300019953379	1	46	-1.0	-45.11	358.67	0.81	-44.30
C[C@@H]1CC2=C(NN=C2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)[C@H](C)O1	REAL300019953379	1	46	-1.0	-45.13	358.73	0.81	-44.32
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CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953383	0	56	-1.0	-41.37	418.28	5.04	-36.33
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953383	1	56	-1.0	-41.40	418.34	5.05	-36.35
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953384	0	44	-1.0	-46.90	363.81	3.93	-42.97
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953384	1	44	-1.0	-46.85	363.75	3.92	-42.93
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CN1C=C(OCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=N1	REAL300019953395	0	39	-1.0	-43.70	321.24	0.65	-43.05
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CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC(C2CC2)=NO1	REAL300019953397	1	43	-1.0	-43.76	337.89	1.72	-42.04
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=NO1	REAL300019953398	0	51	-1.0	-43.30	408.19	0.78	-42.52
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=NO1	REAL300019953398	1	51	-1.0	-43.30	408.25	0.78	-42.52
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953399	0	40	-1.0	-40.92	341.01	3.15	-37.77
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953399	1	40	-1.0	-40.92	341.08	3.16	-37.76
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019953400	0	42	-1.0	-40.69	344.02	3.97	-36.72
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019953400	1	42	-1.0	-40.71	344.08	3.97	-36.74
CN(C)C1=CC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019953401	0	49	-1.0	-45.97	381.69	4.60	-41.37
CN(C)C1=CC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019953401	1	49	-1.0	-45.94	381.75	4.60	-41.34
COC1(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019953402	0	56	-1.0	-47.19	429.28	1.41	-45.78
COC1(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019953402	1	56	-1.0	-47.19	429.34	1.42	-45.77
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(CC2=NNN=C2)CCCC1	REAL300019953403	0	47	-1.0	-43.50	351.84	1.01	-42.49
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(CC2=NNN=C2)CCCC1	REAL300019953403	1	47	-1.0	-43.47	351.90	1.02	-42.45
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953404	0	56	-1.0	-40.42	421.74	4.40	-36.02
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953404	1	56	-1.0	-40.40	421.68	4.40	-36.00
C#CC1=CC=C(C2CC2C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019953405	0	44	-1.0	-39.98	362.14	5.47	-34.51
C#CC1=CC=C(C2CC2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019953405	1	44	-1.0	-39.96	362.20	5.47	-34.49
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C2=CC=CC=C2C=N1	REAL300019953406	0	43	-1.0	-46.45	347.14	3.01	-43.44
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C2=CC=CC=C2C=N1	REAL300019953406	1	43	-1.0	-46.42	347.20	3.02	-43.40
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(C2CCC2)CC1(F)F	REAL300019953407	0	42	-1.0	-42.91	313.32	2.96	-39.95
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(C2CCC2)CC1(F)F	REAL300019953407	1	42	-1.0	-42.89	313.38	2.96	-39.93
CN1N=CC2=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C(C3CC3)N=C21	REAL300019953408	0	47	-1.0	-43.86	378.60	3.45	-40.41
CN1N=CC2=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C(C3CC3)N=C21	REAL300019953408	1	47	-1.0	-43.80	378.66	3.46	-40.34
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019953409	0	45	-1.0	-37.66	349.17	3.66	-34.00
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019953409	1	45	-1.0	-37.68	349.23	3.67	-34.01
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953410	0	55	-1.0	-46.71	414.48	1.38	-45.33
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953410	1	55	-1.0	-46.72	414.54	1.38	-45.34
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953411	0	47	-1.0	-37.24	342.03	3.36	-33.88
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953411	1	47	-1.0	-37.25	342.09	3.36	-33.89
COC1=CC=C(C=CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(OC)=C1OC	REAL300019953412	0	51	-1.0	-50.11	408.97	2.69	-47.42
COC1=CC=C(C=CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(OC)=C1OC	REAL300019953412	1	51	-1.0	-50.11	409.03	2.70	-47.41
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953413	0	51	-1.0	-44.36	390.50	2.43	-41.93
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953413	1	51	-1.0	-44.35	390.56	2.44	-41.91
O=C(C1=C2C(=O)NCCN2N=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953414	0	40	-1.0	-50.49	323.71	-1.51	-52.00
O=C(C1=C2C(=O)NCCN2N=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953414	1	40	-1.0	-50.52	323.65	-1.51	-52.03
CC=CC1=CC=C(OCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(OC)=C1	REAL300019953415	0	50	-1.0	-44.24	398.45	4.62	-39.62
CC=CC1=CC=C(OCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(OC)=C1	REAL300019953415	1	50	-1.0	-44.24	398.52	4.63	-39.61
O=C(C1CC(=O)CC12CCC2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953416	0	44	-1.0	-38.50	332.86	2.97	-35.53
O=C(C1CC(=O)CC12CCC2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953416	1	44	-1.0	-38.49	332.92	2.97	-35.52
CC1=CNC2=NC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C12	REAL300019953417	0	41	-1.0	-45.99	331.34	1.90	-44.09
CC1=CNC2=NC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C12	REAL300019953417	1	41	-1.0	-46.02	331.40	1.90	-44.12
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953418	0	42	-1.0	-45.34	348.11	0.98	-44.36
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953418	1	42	-1.0	-45.33	348.17	0.99	-44.34
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953419	0	52	-1.0	-41.60	392.61	5.19	-36.41
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953419	1	52	-1.0	-41.62	392.67	5.19	-36.43
CC1=NN=C(CC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C2)O1	REAL300019953420	0	46	-1.0	-47.02	378.32	-0.35	-47.37
CC1=NN=C(CC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2)O1	REAL300019953420	1	46	-1.0	-47.00	378.38	-0.34	-47.34
O=C(C1CC2=CC=CN=C2C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953421	0	41	-1.0	-42.81	321.21	2.36	-40.45
O=C(C1CC2=CC=CN=C2C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953421	1	41	-1.0	-42.81	321.27	2.37	-40.44
O=C(C1CC(C2CC2)=NO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953422	0	40	-1.0	-43.45	321.85	2.43	-41.02
O=C(C1CC(C2CC2)=NO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953422	1	40	-1.0	-43.44	321.91	2.44	-41.00
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953423	0	47	-1.0	-44.26	384.28	5.86	-38.40
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953423	1	47	-1.0	-44.26	384.34	5.86	-38.40
CC1=CC2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CN=C2C(F)=C1	REAL300019953424	0	43	-1.0	-47.40	352.09	3.08	-44.32
CC1=CC2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CN=C2C(F)=C1	REAL300019953424	1	43	-1.0	-47.39	352.03	3.07	-44.32
CN1C=C(C2=NC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CO2)C=N1	REAL300019953425	0	41	-1.0	-46.95	344.86	-0.29	-47.24
CN1C=C(C2=NC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CO2)C=N1	REAL300019953425	1	41	-1.0	-46.94	344.80	-0.29	-47.23
COC1=C2C=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)NC2=C(C)C=C1	REAL300019953426	0	46	-1.0	-41.28	365.19	2.69	-38.59
COC1=C2C=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)NC2=C(C)C=C1	REAL300019953426	1	46	-1.0	-41.32	365.26	2.69	-38.63
CCCCOC1=CC=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019953427	0	51	-1.0	-40.06	401.89	4.77	-35.29
CCCCOC1=CC=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019953427	1	51	-1.0	-40.06	401.95	4.78	-35.28
COC1=NC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C2C=C1	REAL300019953428	0	44	-1.0	-41.58	355.27	1.08	-40.50
COC1=NC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2C=C1	REAL300019953428	1	44	-1.0	-41.54	355.33	1.09	-40.45
CC1=CN2C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CN=C2S1	REAL300019953429	0	38	-1.0	-43.13	321.21	2.60	-40.53
CC1=CN2C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CN=C2S1	REAL300019953429	1	38	-1.0	-43.15	321.15	2.59	-40.56
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953430	0	45	-1.0	-44.07	377.69	3.64	-40.43
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953430	1	45	-1.0	-44.10	377.75	3.64	-40.46
O=C(C1=CC(Cl)=C(Cl)S1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953431	0	32	-1.0	-36.15	305.98	2.33	-33.82
O=C(C1=CC(Cl)=C(Cl)S1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953431	1	32	-1.0	-36.16	306.04	2.34	-33.82
CC(C)(C)C1=CC=NC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953432	0	46	-1.0	-41.60	355.39	3.68	-37.92
CC(C)(C)C1=CC=NC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953432	1	46	-1.0	-41.62	355.33	3.67	-37.95
COC1CC2(C1)CCC(C(=O)N1CCN(CC3=N[N-]N=N3)CC1)CC2	REAL300019953433	0	52	-1.0	-38.93	386.67	3.35	-35.58
COC1CC2(C1)CCC(C(=O)N1CCN(CC3=NN=N[N-]3)CC1)CC2	REAL300019953433	1	52	-1.0	-38.95	386.73	3.35	-35.60
CCCC(CCC1=CC=CC=C1)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953434	0	53	-1.0	-39.09	401.02	6.05	-33.04
CCCC(CCC1=CC=CC=C1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953434	1	53	-1.0	-39.08	401.08	6.06	-33.02
CCC(C)(C)C1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019953435	0	56	-1.0	-37.35	382.68	4.94	-32.41
CCC(C)(C)C1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019953435	1	56	-1.0	-37.36	382.74	4.95	-32.41
CC1=CC2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CN=C2C=C1	REAL300019953436	0	43	-1.0	-43.61	345.73	2.89	-40.72
CC1=CC2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CN=C2C=C1	REAL300019953436	1	43	-1.0	-43.60	345.79	2.89	-40.71
CN1C=C(C2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=NO2)N=N1	REAL300019953437	0	40	-1.0	-45.90	338.61	0.49	-45.41
CN1C=C(C2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=NO2)N=N1	REAL300019953437	1	40	-1.0	-45.93	338.67	0.50	-45.43
O=C(C1COC2COCC21)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953438	0	41	-1.0	-38.51	312.35	-1.19	-39.70
O=C(C1COC2COCC21)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953438	1	41	-1.0	-38.52	312.41	-1.19	-39.71
O=C(C1CCC2(CC(=O)C2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953439	0	47	-1.0	-42.16	357.44	3.52	-38.64
O=C(C1CCC2(CC(=O)C2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953439	1	47	-1.0	-42.16	357.50	3.53	-38.63
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953440	0	42	-1.0	-44.19	338.01	1.96	-42.23
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953440	1	42	-1.0	-44.19	338.07	1.97	-42.22
CCC(CCC1=CC=CC=C1)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953441	0	50	-1.0	-39.20	379.53	5.29	-33.91
CCC(CCC1=CC=CC=C1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953441	1	50	-1.0	-39.23	379.59	5.30	-33.93
COC1(C(F)(F)C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCC1	REAL300019953442	0	45	-1.0	-38.03	340.56	2.41	-35.62
COC1(C(F)(F)C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCCC1	REAL300019953442	1	45	-1.0	-38.05	340.62	2.42	-35.63
O=C(CCC1=CC=C2CCOCC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953443	0	49	-1.0	-39.97	382.64	3.86	-36.11
O=C(CCC1=CC=C2CCOCC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953443	1	49	-1.0	-39.94	382.70	3.87	-36.07
O=C(C1CC12CCC(F)(F)CC2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953444	0	45	-1.0	-39.82	347.97	4.30	-35.52
O=C(C1CC12CCC(F)(F)CC2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953444	1	45	-1.0	-39.82	348.03	4.30	-35.52
CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)N=C1Br	REAL300019953445	0	37	-1.0	-42.95	318.33	2.40	-40.55
CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)N=C1Br	REAL300019953445	1	37	-1.0	-42.93	318.27	2.40	-40.53
CN(C)C1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019953446	0	45	-1.0	-39.82	363.22	3.21	-36.61
CN(C)C1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300019953446	1	45	-1.0	-39.86	363.28	3.22	-36.64
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953447	0	39	-1.0	-42.92	334.45	2.13	-40.79
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953447	1	39	-1.0	-42.95	334.51	2.13	-40.82
COC(=O)C1=CSC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953448	0	38	-1.0	-42.00	328.95	1.87	-40.13
COC(=O)C1=CSC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953448	1	38	-1.0	-41.96	329.01	1.87	-40.09
CC(C)(C)C1=CN=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953449	0	46	-1.0	-39.46	352.66	2.31	-37.15
CC(C)(C)C1=CN=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953449	1	46	-1.0	-39.47	352.60	2.30	-37.17
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953450	0	43	-1.0	-42.16	369.42	4.32	-37.84
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953450	1	43	-1.0	-42.13	369.48	4.32	-37.81
N#CC1=CC=C(C2=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)N=CO2)C=C1	REAL300019953451	0	42	-1.0	-45.02	364.50	1.32	-43.70
N#CC1=CC=C(C2=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)N=CO2)C=C1	REAL300019953451	1	42	-1.0	-45.03	364.56	1.32	-43.71
COC1CC(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1(C)C	REAL300019953452	0	48	-1.0	-38.75	365.77	2.47	-36.28
COC1CC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1(C)C	REAL300019953452	1	48	-1.0	-38.76	365.83	2.47	-36.29
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019953453	0	45	-1.0	-41.00	368.72	4.06	-36.94
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019953453	1	45	-1.0	-41.04	368.78	4.06	-36.98
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953454	0	55	-1.0	-37.45	420.52	1.50	-35.95
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953454	1	55	-1.0	-37.49	420.58	1.51	-35.98
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=NN21	REAL300019953455	0	49	-1.0	-51.71	381.42	3.72	-47.99
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=NN21	REAL300019953455	1	49	-1.0	-51.69	381.48	3.72	-47.97
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C12CCCN1C(=O)CCCC2	REAL300019953456	0	49	-1.0	-43.40	354.78	2.20	-41.20
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CCCN1C(=O)CCCC2	REAL300019953456	1	49	-1.0	-43.41	354.84	2.20	-41.21
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019953457	0	45	-1.0	-38.79	362.67	4.53	-34.26
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019953457	1	45	-1.0	-38.78	362.73	4.54	-34.24
O=C(C1CCC2(CC2(F)F)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953458	0	42	-1.0	-40.36	330.01	3.12	-37.24
O=C(C1CCC2(CC2(F)F)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953458	1	42	-1.0	-40.33	330.07	3.12	-37.21
O=C(C1CCCC2C1C2(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953459	0	42	-1.0	-41.55	324.10	3.38	-38.17
O=C(C1CCCC2C1C2(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953459	1	42	-1.0	-41.58	324.16	3.38	-38.20
C=C1CC2(C1)CC(C(=O)N1CCN(CC3=N[N-]N=N3)CC1)C2	REAL300019953460	0	43	-1.0	-37.98	336.56	3.91	-34.07
C=C1CC2(C1)CC(C(=O)N1CCN(CC3=NN=N[N-]3)CC1)C2	REAL300019953460	1	43	-1.0	-38.01	336.61	3.91	-34.10
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953461	0	46	-1.0	-41.30	358.24	3.83	-37.47
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953461	1	46	-1.0	-41.26	358.30	3.84	-37.42
O=C(CCC1=CC=CC(Br)=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953462	0	41	-1.0	-39.85	354.98	4.41	-35.44
O=C(CCC1=CC=CC(Br)=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953462	1	41	-1.0	-39.86	355.04	4.41	-35.45
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953463	0	53	-1.0	-36.37	355.97	4.56	-31.81
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953463	1	53	-1.0	-36.39	356.04	4.56	-31.83
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C[C@@H]12	REAL300019953464	0	53	-1.0	-41.55	411.22	1.94	-39.61
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C[C@@H]12	REAL300019953464	1	53	-1.0	-41.53	411.28	1.94	-39.59
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(C(F)F)=NN1C	REAL300019953465	0	41	-1.0	-44.19	342.94	1.44	-42.75
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(C(F)F)=NN1C	REAL300019953465	1	41	-1.0	-44.14	342.99	1.45	-42.69
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953466	0	46	-1.0	-54.81	353.30	1.63	-53.18
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953466	1	46	-1.0	-54.80	353.36	1.63	-53.17
CCC1=CC=C(C(=O)C(=O)N2CCN(CC3=N[N-]N=N3)CC2)S1	REAL300019953467	0	40	-1.0	-39.91	336.99	3.01	-36.90
CCC1=CC=C(C(=O)C(=O)N2CCN(CC3=NN=N[N-]3)CC2)S1	REAL300019953467	1	40	-1.0	-39.92	337.05	3.01	-36.91
COC1=CC(Br)=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1F	REAL300019953468	0	39	-1.0	-39.68	339.84	2.29	-37.39
COC1=CC(Br)=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1F	REAL300019953468	1	39	-1.0	-39.71	339.90	2.30	-37.41
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953469	0	53	-1.0	-40.69	407.75	1.87	-38.82
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953469	1	53	-1.0	-40.70	407.82	1.88	-38.82
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953470	0	56	-1.0	-44.07	423.57	3.55	-40.52
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953470	1	56	-1.0	-44.09	423.63	3.55	-40.54
O=C(C1=CC(C2CCCC2)=NN1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953471	0	45	-1.0	-40.82	347.62	2.23	-38.59
O=C(C1=CC(C2CCCC2)=NN1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953471	1	45	-1.0	-40.84	347.68	2.23	-38.61
CC1(C)OC2=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC=C2NC1=O	REAL300019953472	0	47	-1.0	-41.06	372.80	0.47	-40.59
CC1(C)OC2=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CC=C2NC1=O	REAL300019953472	1	47	-1.0	-41.06	372.86	0.48	-40.58
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953473	0	43	-1.0	-41.70	342.08	1.42	-40.28
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953473	1	43	-1.0	-41.73	342.14	1.42	-40.31
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C21	REAL300019953474	0	43	-1.0	-40.82	357.94	1.18	-39.64
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C21	REAL300019953474	1	43	-1.0	-40.83	358.00	1.18	-39.65
COC(=O)C1=CC=CC2=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=CC=C12	REAL300019953475	0	47	-1.0	-42.16	377.31	5.01	-37.15
COC(=O)C1=CC=CC2=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=CC=C12	REAL300019953475	1	47	-1.0	-42.20	377.37	5.02	-37.18
O=C(C1=CN=CC2=C1CCNC2=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953476	0	42	-1.0	-41.70	337.40	-1.14	-42.84
O=C(C1=CN=CC2=C1CCNC2=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953476	1	42	-1.0	-41.68	337.46	-1.14	-42.82
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=NC=C1C(F)F	REAL300019953477	0	40	-1.0	-44.77	328.55	2.76	-42.01
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=NC=C1C(F)F	REAL300019953477	1	40	-1.0	-44.79	328.61	2.76	-42.03
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953478	0	43	-1.0	-44.96	350.46	0.49	-44.47
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953478	1	43	-1.0	-45.02	350.52	0.49	-44.53
CN(C)C(=O)C1=CN=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953479	0	44	-1.0	-43.95	350.41	0.12	-43.83
CN(C)C(=O)C1=CN=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953479	1	44	-1.0	-43.96	350.35	0.12	-43.84
O=C(C1CCC2C1C2(F)F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953480	0	39	-1.0	-38.81	313.68	2.97	-35.84
O=C(C1CCC2C1C2(F)F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953480	1	39	-1.0	-38.78	313.74	2.98	-35.80
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953481	0	39	-1.0	-48.23	335.50	2.26	-45.97
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953481	1	39	-1.0	-48.24	335.44	2.25	-45.99
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953482	0	55	-1.0	-40.51	424.96	-0.19	-40.70
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953482	1	55	-1.0	-40.50	425.02	-0.19	-40.69
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953483	0	58	-1.0	-44.67	431.93	3.79	-40.88
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953483	1	58	-1.0	-44.70	431.99	3.79	-40.91
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953484	0	55	-1.0	-41.37	413.76	1.46	-39.91
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953484	1	55	-1.0	-41.33	413.82	1.47	-39.86
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953485	0	56	-1.0	-40.19	430.74	2.43	-37.76
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953485	1	56	-1.0	-40.21	430.80	2.44	-37.77
COC1=CC=CC=C1OC(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953486	0	46	-1.0	-43.99	358.66	2.92	-41.07
COC1=CC=CC=C1OC(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953486	1	46	-1.0	-44.00	358.72	2.93	-41.07
CC1=C(Cl)C=NN1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953487	0	38	-1.0	-42.46	326.04	1.63	-40.83
CC1=C(Cl)C=NN1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953487	1	38	-1.0	-42.47	326.10	1.63	-40.84
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953488	0	49	-1.0	-45.88	383.51	1.26	-44.62
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953488	1	49	-1.0	-45.89	383.57	1.26	-44.63
CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1S(=O)(=O)N(C)C	REAL300019953489	0	49	-1.0	-52.45	383.94	0.70	-51.75
CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1S(=O)(=O)N(C)C	REAL300019953489	1	49	-1.0	-52.45	384.00	0.71	-51.74
CCC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)N2C=C(C)SC2=N1	REAL300019953490	0	44	-1.0	-42.81	370.52	4.15	-38.66
CCC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)N2C=C(C)SC2=N1	REAL300019953490	1	44	-1.0	-42.79	370.58	4.15	-38.64
O=C(C1CCC(C2CCCO2)O1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953491	0	47	-1.0	-43.45	356.76	2.12	-41.33
O=C(C1CCC(C2CCCO2)O1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953491	1	47	-1.0	-43.45	356.82	2.13	-41.32
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953492	0	56	-1.0	-46.07	418.30	3.86	-42.21
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953492	1	56	-1.0	-46.03	418.36	3.87	-42.16
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953493	0	38	-1.0	-39.90	339.08	3.71	-36.19
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953493	1	38	-1.0	-39.88	339.14	3.71	-36.17
CC1=CC(F)=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300019953494	0	40	-1.0	-42.67	330.40	3.45	-39.22
CC1=CC(F)=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300019953494	1	40	-1.0	-42.67	330.46	3.46	-39.21
CN1N=NC2=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=CC=C21	REAL300019953495	0	40	-1.0	-58.10	327.95	0.87	-57.23
CN1N=NC2=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=CC=C21	REAL300019953495	1	40	-1.0	-58.11	328.01	0.87	-57.24
O=C(C1=CN=C2OCCCC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953496	0	42	-1.0	-46.56	331.74	-0.53	-47.09
O=C(C1=CN=C2OCCCC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953496	1	42	-1.0	-46.57	331.81	-0.52	-47.09
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953497	0	40	-1.0	-40.96	334.65	1.61	-39.35
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953497	1	40	-1.0	-40.99	334.71	1.61	-39.38
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C(F)(F)CCC1=CC=CC=C1	REAL300019953498	0	44	-1.0	-38.12	358.33	4.53	-33.59
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C(F)(F)CCC1=CC=CC=C1	REAL300019953498	1	44	-1.0	-38.10	358.39	4.54	-33.56
CC1=CC2=C(C=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)S2)S1	REAL300019953499	0	38	-1.0	-39.44	332.10	3.50	-35.94
CC1=CC2=C(C=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)S2)S1	REAL300019953499	1	38	-1.0	-39.44	332.16	3.50	-35.94
O=C(CC12CCC(CC1)C2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953500	0	45	-1.0	-38.09	332.10	3.89	-34.20
O=C(CC12CCC(CC1)C2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953500	1	45	-1.0	-38.09	332.16	3.90	-34.19
O=C(C1CC=CC2=CC=CC=C21)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953501	0	43	-1.0	-40.12	339.44	4.68	-35.44
O=C(C1CC=CC2=CC=CC=C21)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953501	1	43	-1.0	-40.14	339.50	4.68	-35.46
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953502	0	46	-1.0	-46.78	379.88	-1.17	-47.95
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953502	1	46	-1.0	-46.84	379.94	-1.16	-48.00
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953503	0	41	-1.0	-41.26	359.74	4.66	-36.60
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953503	1	41	-1.0	-41.33	359.80	4.67	-36.66
O=C(C1=CN2C=NN=C2C=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953504	0	36	-1.0	-44.69	301.02	2.52	-42.17
O=C(C1=CN2C=NN=C2C=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953504	1	36	-1.0	-44.66	300.96	2.52	-42.14
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953505	0	48	-1.0	-39.40	390.83	6.09	-33.31
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953505	1	48	-1.0	-39.40	390.89	6.10	-33.30
CN1N=CC(C#N)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953506	0	36	-1.0	-41.49	311.71	0.39	-41.10
CN1N=CC(C#N)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953506	1	36	-1.0	-41.51	311.65	0.39	-41.12
CON(CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300019953507	0	52	-1.0	-40.29	406.46	2.36	-37.93
CON(CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300019953507	1	52	-1.0	-40.26	406.52	2.37	-37.89
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953508	0	37	-1.0	-39.77	323.77	-0.23	-40.00
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953508	1	37	-1.0	-39.79	323.83	-0.22	-40.01
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953509	0	48	-1.0	-41.32	381.22	1.00	-40.32
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953509	1	48	-1.0	-41.34	381.28	1.00	-40.34
O=C(C1=CC=CC2=NC=CC=C12)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953510	0	40	-1.0	-41.75	323.74	2.65	-39.10
O=C(C1=CC=CC2=NC=CC=C12)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953510	1	40	-1.0	-41.77	323.80	2.66	-39.11
COC(=O)C1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C(F)C=N1	REAL300019953511	0	40	-1.0	-43.65	340.52	1.20	-42.45
COC(=O)C1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C(F)C=N1	REAL300019953511	1	40	-1.0	-43.65	340.46	1.20	-42.45
CC1=CC2=C(OCC2)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019953512	0	43	-1.0	-44.08	343.26	2.88	-41.20
CC1=CC2=C(OCC2)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019953512	1	43	-1.0	-44.06	343.32	2.89	-41.17
O=C(C1=C2SC=CC2=CN=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953513	0	37	-1.0	-45.04	316.17	1.80	-43.24
O=C(C1=C2SC=CC2=CN=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953513	1	37	-1.0	-45.05	316.23	1.81	-43.24
CC(C)C(C)C(C)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953514	0	49	-1.0	-37.56	353.63	3.80	-33.76
CC(C)C(C)C(C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953514	1	49	-1.0	-37.61	353.69	3.82	-33.79
COC1CC2(C1)CC(C(=O)N1CCN(CC3=N[N-]N=N3)CC1)C2	REAL300019953515	0	46	-1.0	-38.73	356.46	2.34	-36.39
COC1CC2(C1)CC(C(=O)N1CCN(CC3=NN=N[N-]3)CC1)C2	REAL300019953515	1	46	-1.0	-38.68	356.52	2.35	-36.33
CC(C)OCC1=CC=CC=C1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953516	0	51	-1.0	-40.46	399.90	4.78	-35.68
CC(C)OCC1=CC=CC=C1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953516	1	51	-1.0	-40.44	399.96	4.78	-35.66
CC1(C)CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CO1	REAL300019953517	0	45	-1.0	-37.96	335.36	1.54	-36.42
CC1(C)CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CO1	REAL300019953517	1	45	-1.0	-37.94	335.42	1.54	-36.40
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953518	0	42	-1.0	-39.92	364.62	5.41	-34.51
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953518	1	42	-1.0	-39.93	364.68	5.41	-34.52
O=C(CC1CCCNC(=O)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953519	0	45	-1.0	-48.78	340.75	0.18	-48.60
O=C(CC1CCCNC(=O)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953519	1	45	-1.0	-48.81	340.81	0.18	-48.63
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1C(F)(F)F	REAL300019953520	0	38	-1.0	-41.05	309.93	2.33	-38.72
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1C(F)(F)F	REAL300019953520	1	38	-1.0	-41.08	309.99	2.33	-38.75
O=C(C1CCCCC12CCC2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953521	0	48	-1.0	-37.04	337.80	3.75	-33.29
O=C(C1CCCCC12CCC2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953521	1	48	-1.0	-37.06	337.86	3.75	-33.31
CC12CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)(CO1)CCC2	REAL300019953522	0	46	-1.0	-43.36	332.05	1.16	-42.20
CC12CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)(CO1)CCC2	REAL300019953522	1	46	-1.0	-43.36	332.11	1.16	-42.20
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C12CCCC1C2(F)F	REAL300019953523	0	39	-1.0	-42.90	312.01	2.72	-40.18
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CCCC1C2(F)F	REAL300019953523	1	39	-1.0	-42.92	312.07	2.73	-40.19
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953524	0	51	-1.0	-44.38	384.04	6.00	-38.38
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953524	1	51	-1.0	-44.37	384.10	6.01	-38.36
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953525	0	38	-1.0	-40.54	328.04	3.14	-37.40
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953525	1	38	-1.0	-40.61	327.98	3.14	-37.47
CN1C=NC2=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=CC=C21	REAL300019953526	0	41	-1.0	-50.10	333.20	3.62	-46.48
CN1C=NC2=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=CC=C21	REAL300019953526	1	41	-1.0	-50.11	333.26	3.62	-46.49
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C12CCCCC1C2(F)F	REAL300019953527	0	42	-1.0	-41.38	323.49	3.12	-38.26
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CCCCC1C2(F)F	REAL300019953527	1	42	-1.0	-41.38	323.55	3.13	-38.25
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953528	0	45	-1.0	-39.02	372.20	3.54	-35.48
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953528	1	45	-1.0	-39.03	372.14	3.54	-35.49
O=C(C1=C(C2CC2)C=CO1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953529	0	39	-1.0	-41.01	312.60	2.68	-38.33
O=C(C1=C(C2CC2)C=CO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953529	1	39	-1.0	-41.01	312.66	2.68	-38.33
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953530	0	41	-1.0	-41.92	338.76	0.98	-40.94
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953530	1	41	-1.0	-41.90	338.82	0.99	-40.91
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953531	0	45	-1.0	-49.60	367.74	-1.75	-51.35
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953531	1	45	-1.0	-49.66	367.68	-1.75	-51.41
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953532	0	35	-1.0	-38.38	324.16	-1.70	-40.08
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953532	1	35	-1.0	-38.39	324.10	-1.70	-40.09
O=C(C1=NC2=CC=CNC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953533	0	38	-1.0	-58.44	310.96	1.31	-57.13
O=C(C1=NC2=CC=CNC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953533	1	38	-1.0	-58.38	311.02	1.32	-57.06
COC1=C(Cl)C=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C2=NC=CC=C21	REAL300019953534	0	44	-1.0	-45.00	375.09	2.92	-42.08
COC1=C(Cl)C=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C2=NC=CC=C21	REAL300019953534	1	44	-1.0	-45.00	375.15	2.93	-42.07
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953535	0	50	-1.0	-43.86	400.42	2.60	-41.26
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953535	1	50	-1.0	-43.83	400.36	2.60	-41.23
O=C(C1C2C3CC1C(=O)C32)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953536	0	39	-1.0	-53.31	308.27	2.34	-50.97
O=C(C1C2C3CC1C(=O)C32)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953536	1	39	-1.0	-53.31	308.33	2.34	-50.97
O=C(C1=CC=CN2N=NC=C12)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953537	0	37	-1.0	-46.58	310.96	0.98	-45.60
O=C(C1=CC=CN2N=NC=C12)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953537	1	37	-1.0	-46.58	311.02	0.98	-45.60
CC(NC(=O)CCCC1=N[N-]N=N1)C1(O)CN(C(=O)OC(C)(C)C)C1	REAL300019958202	0	50	-1.0	-49.87	404.82	0.41	-49.46
CC(NC(=O)CCCC1=NN=N[N-]1)C1(O)CN(C(=O)OC(C)(C)C)C1	REAL300019958202	1	50	-1.0	-49.91	404.87	0.43	-49.48
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(O)CN(C(=O)OC(C)(C)C)C1	REAL300019958203	0	50	-1.0	-40.92	414.89	0.27	-40.65
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(O)CN(C(=O)OC(C)(C)C)C1	REAL300019958203	1	50	-1.0	-40.93	414.96	0.29	-40.64
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(CC2=NNC=C2)CC1	REAL300019958204	0	43	-1.0	-49.53	341.19	1.51	-48.02
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(CC2=NNC=C2)CC1	REAL300019958204	1	43	-1.0	-49.52	341.25	1.52	-48.00
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)(CC2=NNC=C2)CC1	REAL300019958205	0	43	-1.0	-38.60	348.86	1.77	-36.83
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)(CC2=NNC=C2)CC1	REAL300019958205	1	43	-1.0	-38.59	348.93	1.77	-36.82
CC1=C(CN(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=NN1C	REAL300019958206	0	41	-1.0	-45.31	337.27	6.25	-39.06
CC1=C(CN(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=NN1C	REAL300019958206	1	41	-1.0	-45.13	337.37	6.28	-38.85
CC1=C(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=NN1C	REAL300019958207	0	38	-1.0	-41.62	324.40	4.60	-37.02
CC1=C(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=NN1C	REAL300019958207	1	38	-1.0	-41.60	324.47	4.62	-36.98
O=C(N[C@H](CO)C1=NNC=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958208	0	35	-1.0	-56.52	308.25	0.96	-55.56
O=C(N[C@H](CO)C1=NNC=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958208	1	35	-1.0	-56.33	308.35	0.98	-55.35
O=C(N[C@H](CO)C1=NNC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958209	0	32	-1.0	-42.10	294.47	-2.16	-44.26
O=C(N[C@H](CO)C1=NNC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958209	1	32	-1.0	-42.04	294.54	-2.15	-44.19
O=C(CCCC1=N[N-]N=N1)N1CCOC(CN2C=C(CO)N=N2)C1	REAL300019958210	0	43	-1.0	-55.08	357.59	-0.99	-56.07
O=C(CCCC1=NN=N[N-]1)N1CCOC(CN2C=C(CO)N=N2)C1	REAL300019958210	1	43	-1.0	-55.16	357.65	-0.98	-56.14
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOC(CN2C=C(CO)N=N2)C1	REAL300019958211	0	46	-1.0	-58.29	380.11	1.74	-56.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOC(CN2C=C(CO)N=N2)C1	REAL300019958211	1	46	-1.0	-58.08	380.20	1.75	-56.33
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(CN2C=C(CO)N=N2)C1	REAL300019958212	0	43	-1.0	-41.61	363.80	-0.61	-42.22
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(CN2C=C(CO)N=N2)C1	REAL300019958212	1	43	-1.0	-41.61	363.87	-0.60	-42.21
NC(=O)C(F)(F)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019958213	0	37	-1.0	-50.99	314.91	-1.56	-52.55
NC(=O)C(F)(F)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019958213	1	37	-1.0	-50.98	314.97	-1.54	-52.52
NC(=O)C(F)(F)C1(O)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958214	0	40	-1.0	-43.18	335.38	-0.36	-43.54
NC(=O)C(F)(F)C1(O)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958214	1	40	-1.0	-43.07	335.47	-0.34	-43.41
NC(=O)C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958215	0	37	-1.0	-39.93	324.51	-2.69	-42.62
NC(=O)C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958215	1	37	-1.0	-39.93	324.58	-2.68	-42.61
CC1(C2CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)N=N1	REAL300019958216	0	41	-1.0	-37.50	330.90	2.36	-35.14
CC1(C2CCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)N=N1	REAL300019958216	1	41	-1.0	-37.35	330.87	2.37	-34.98
CC1(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)N=N1	REAL300019958217	0	38	-1.0	-34.49	315.78	0.11	-34.38
CC1(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)N=N1	REAL300019958217	1	38	-1.0	-34.43	315.84	0.11	-34.32
NC(=O)C(F)(F)C1(O)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019958218	0	34	-1.0	-50.19	302.34	-2.71	-52.90
NC(=O)C(F)(F)C1(O)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019958218	1	34	-1.0	-50.22	302.39	-2.69	-52.91
NC(=O)C(F)(F)C1(O)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958219	0	37	-1.0	-62.30	323.52	-1.40	-63.70
NC(=O)C(F)(F)C1(O)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958219	1	37	-1.0	-61.89	323.76	-1.38	-63.27
NC(=O)C(F)(F)C1(O)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958220	0	34	-1.0	-41.06	311.57	-3.92	-44.98
NC(=O)C(F)(F)C1(O)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958220	1	34	-1.0	-41.07	311.64	-3.92	-44.99
CC1(N2CCOCC2)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958221	0	45	-1.0	-41.80	349.72	3.20	-38.60
CC1(N2CCOCC2)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958221	1	45	-1.0	-41.68	350.18	3.16	-38.52
CC1(N2CCOCC2)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958222	0	42	-1.0	-36.75	339.84	0.82	-35.93
CC1(N2CCOCC2)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958222	1	42	-1.0	-36.71	339.91	0.84	-35.87
CC1=CC(O)=C(Cl)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958223	0	33	-1.0	-37.23	308.44	1.70	-35.53
CC1=CC(O)=C(Cl)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958223	1	33	-1.0	-37.22	308.51	1.71	-35.51
CC1=NN=C(CN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)S1	REAL300019958224	0	42	-1.0	-50.92	351.58	1.63	-49.29
CC1=NN=C(CN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)S1	REAL300019958224	1	42	-1.0	-50.93	351.63	1.65	-49.28
CC1=NN=C(CN2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)S1	REAL300019958225	0	45	-1.0	-56.00	374.58	4.36	-51.64
CC1=NN=C(CN2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)S1	REAL300019958225	1	45	-1.0	-56.33	374.56	4.31	-52.02
CC1=NN=C(CN2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)S1	REAL300019958226	0	42	-1.0	-39.49	357.98	1.68	-37.81
CC1=NN=C(CN2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)S1	REAL300019958226	1	42	-1.0	-39.48	358.05	1.69	-37.79
CCCN1C=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)=N1	REAL300019958227	0	44	-1.0	-53.09	370.63	6.35	-46.74
CCCN1C=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)=N1	REAL300019958227	1	44	-1.0	-52.92	370.73	6.38	-46.54
CCCN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=N1	REAL300019958228	0	41	-1.0	-38.78	356.85	3.25	-35.53
CCCN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=N1	REAL300019958228	1	41	-1.0	-38.76	356.91	3.25	-35.51
COC1=CC=C(C[N@H+](C)CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019958229	0	48	0.0	-76.69	383.28	4.63	-72.06
COC1=CC=C(C[N@@H+](C)CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019958229	1	48	0.0	-76.81	383.34	4.63	-72.18
COC1=CC=C(C[N@H+](C)CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019958229	1	48	0.0	-76.75	383.34	4.65	-72.10
COC1=CC=C(C[N@@H+](C)CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019958229	1	48	0.0	-76.81	383.40	4.65	-72.16
COC1=CC=C(C[N@H+](C)CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019958230	0	51	0.0	-81.99	407.63	7.55	-74.44
COC1=CC=C(C[N@@H+](C)CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019958230	1	51	0.0	-82.10	407.63	7.56	-74.54
COC1=CC=C(C[N@H+](C)CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019958231	0	48	0.0	-65.71	393.88	4.45	-61.26
COC1=CC=C(C[N@@H+](C)CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019958231	1	48	0.0	-65.84	393.93	4.44	-61.40
COC1=CC=C(C[N@H+](C)CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019958231	1	48	0.0	-65.67	393.94	4.45	-61.22
COC1=CC=C(C[N@@H+](C)CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019958231	1	48	0.0	-65.81	394.00	4.45	-61.36
CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C(C2=CC=NN2C)=N1	REAL300019958232	0	39	-1.0	-47.85	338.83	2.26	-45.59
CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C(C2=CC=NN2C)=N1	REAL300019958232	1	39	-1.0	-47.87	338.89	2.27	-45.60
CN1C=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C2=CC=NN2C)=N1	REAL300019958233	0	42	-1.0	-51.49	363.25	5.15	-46.34
CN1C=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C2=CC=NN2C)=N1	REAL300019958233	1	42	-1.0	-51.18	363.50	5.21	-45.97
CN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C2=CC=NN2C)=N1	REAL300019958234	0	39	-1.0	-39.27	348.28	2.09	-37.18
CN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C2=CC=NN2C)=N1	REAL300019958234	1	39	-1.0	-39.24	348.35	2.12	-37.12
CCOC(=O)CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL300019958235	0	40	-1.0	-50.95	360.49	3.39	-47.56
CCOC(=O)CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL300019958235	1	40	-1.0	-50.99	360.54	3.40	-47.59
CCOC(=O)CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NC=CS1	REAL300019958236	0	43	-1.0	-57.53	384.85	6.31	-51.22
CCOC(=O)CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NC=CS1	REAL300019958236	1	43	-1.0	-57.33	384.95	6.34	-50.99
CCOC(=O)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CS1	REAL300019958237	0	40	-1.0	-41.49	371.08	3.19	-38.30
CCOC(=O)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CS1	REAL300019958237	1	40	-1.0	-41.46	371.15	3.19	-38.27
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(N2CC(O)C2)CC1	REAL300019958238	0	45	-1.0	-58.52	352.97	1.12	-57.40
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(N2CC(O)C2)CC1	REAL300019958238	1	45	-1.0	-59.15	353.00	1.16	-57.99
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH+]2CC(O)C2)CC1	REAL300019958238	1	46	0.0	-77.45	357.36	4.36	-73.09
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(N2CC(O)C2)CC1	REAL300019958239	0	42	-1.0	-39.26	336.67	-1.21	-40.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(N2CC(O)C2)CC1	REAL300019958239	1	42	-1.0	-39.19	336.74	-1.21	-40.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CC(O)C2)CC1	REAL300019958239	1	43	0.0	-60.72	341.30	1.97	-58.75
CC1=NC=C(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)O1	REAL300019958240	0	37	-1.0	-58.30	322.34	2.73	-55.57
CC1=NC=C(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)O1	REAL300019958240	1	37	-1.0	-58.10	322.82	2.73	-55.37
CC(C)(C)OC(=O)N1CC(C2=C(CNC(=O)CCCC3=N[N-]N=N3)N=CO2)C1	REAL300019958241	0	52	-1.0	-54.10	429.52	1.21	-52.89
CC(C)(C)OC(=O)N1CC(C2=C(CNC(=O)CCCC3=NN=N[N-]3)N=CO2)C1	REAL300019958241	1	52	-1.0	-54.10	429.58	1.22	-52.88
O=C(CCCC1=N[N-]N=N1)NC1CN(C2=NC3=CC=CC=C3N2)C1	REAL300019958242	0	41	-1.0	-49.64	345.28	2.81	-46.83
O=C(CCCC1=NN=N[N-]1)NC1CN(C2=NC3=CC=CC=C3N2)C1	REAL300019958242	1	41	-1.0	-49.65	345.34	2.83	-46.82
O=C(NC1CN(C2=NC3=CC=CC=C3N2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958243	0	44	-1.0	-53.98	369.44	5.54	-48.44
O=C(NC1CN(C2=NC3=CC=CC=C3N2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958243	1	44	-1.0	-53.99	369.91	5.52	-48.47
O=C(NC1CN(C2=NC3=CC=CC=C3N2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958244	0	41	-1.0	-39.78	355.87	2.62	-37.16
O=C(NC1CN(C2=NC3=CC=CC=C3N2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958244	1	41	-1.0	-39.75	355.94	2.62	-37.13
COC(=O)C(CC1=CN(C)N=C1C)NC(=O)CCCC1=N[N-]N=N1	REAL300019958245	0	44	-1.0	-56.55	378.41	3.69	-52.86
COC(=O)C(CC1=CN(C)N=C1C)NC(=O)CCCC1=NN=N[N-]1	REAL300019958245	1	44	-1.0	-56.57	378.47	3.71	-52.86
COC(=O)C(CC1=CN(C)N=C1C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958246	0	44	-1.0	-43.34	389.00	3.49	-39.85
COC(=O)C(CC1=CN(C)N=C1C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958246	1	44	-1.0	-43.32	389.07	3.50	-39.82
C[C@@H]1[C@@H](NC(=O)CCCC2=N[N-]N=N2)CC2(CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300019958247	0	58	0.0	-73.29	424.39	9.25	-64.04
C[C@@H]1[C@@H](NC(=O)CCCC2=N[N-]N=N2)CC2(CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300019958247	1	58	0.0	-72.89	436.28	9.00	-63.89
C[C@@H]1[C@@H](NC(=O)CCCC2=NN=N[N-]2)CC2(CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300019958247	1	58	0.0	-73.28	424.45	9.27	-64.01
C[C@@H]1[C@@H](NC(=O)CCCC2=NN=N[N-]2)CC2(CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300019958247	1	58	0.0	-72.86	436.34	9.02	-63.84
CC(C)(C)OC(=O)C1(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019958248	0	44	-1.0	-49.55	356.04	5.53	-44.02
CC(C)(C)OC(=O)C1(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019958248	1	44	-1.0	-49.61	356.10	5.55	-44.06
CC(C)(C)OC(=O)C1(C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958249	0	47	-1.0	-63.95	374.47	7.87	-56.08
CC(C)(C)OC(=O)C1(C)CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958249	1	47	-1.0	-63.71	374.57	7.89	-55.82
CC(C)(C)OC(=O)C1(C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958250	0	44	-1.0	-39.72	359.55	6.14	-33.58
CC(C)(C)OC(=O)C1(C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958250	1	44	-1.0	-39.70	359.61	6.14	-33.56
COCCCCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019958251	0	49	-1.0	-51.97	398.94	4.05	-47.92
COCCCCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019958251	1	49	-1.0	-51.97	398.99	4.07	-47.90
COCCCCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958252	0	52	-1.0	-55.95	423.62	6.66	-49.29
COCCCCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958252	1	52	-1.0	-55.77	423.69	6.68	-49.09
COCCCCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958253	0	49	-1.0	-39.65	410.79	4.98	-34.67
COCCCCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958253	1	49	-1.0	-39.59	410.86	4.98	-34.61
CCOCCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019958254	0	46	-1.0	-53.78	375.14	4.25	-49.53
CCOCCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019958254	1	46	-1.0	-53.72	375.19	4.27	-49.45
CCOCCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958255	0	49	-1.0	-55.54	390.55	6.07	-49.47
CCOCCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958255	1	49	-1.0	-55.33	390.64	6.08	-49.25
CCOCCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958256	0	46	-1.0	-37.35	388.92	4.47	-32.88
CCOCCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958256	1	46	-1.0	-37.32	388.98	4.48	-32.84
CC(=O)N1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958257	0	36	-1.0	-57.23	311.64	3.33	-53.90
CC(=O)N1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958257	1	36	-1.0	-56.41	312.12	3.32	-53.09
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(CCCC2)CC1CO	REAL300019958258	0	46	-1.0	-57.67	351.95	6.56	-51.11
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(CCCC2)CC1CO	REAL300019958258	1	46	-1.0	-57.58	351.56	6.63	-50.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(CCCC2)CC1CO	REAL300019958259	0	43	-1.0	-39.35	338.31	4.38	-34.97
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(CCCC2)CC1CO	REAL300019958259	1	43	-1.0	-39.36	338.38	4.38	-34.98
CC(C)[C@H]1CC[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958260	0	47	-1.0	-53.78	361.69	7.79	-45.99
CC(C)[C@H]1CC[C@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019958260	1	47	-1.0	-53.65	361.79	7.82	-45.83
CC(C)[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958261	0	44	-1.0	-35.03	347.92	4.68	-30.35
CC(C)[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958261	1	44	-1.0	-34.97	347.99	4.69	-30.28
C=CCOC(=O)N1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019958262	0	44	-1.0	-57.78	364.08	3.32	-54.46
C=CCOC(=O)N1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019958262	1	44	-1.0	-57.83	364.14	3.34	-54.49
C=CCOC(=O)N1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958263	0	47	-1.0	-66.01	388.40	6.27	-59.74
C=CCOC(=O)N1CCCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958263	1	47	-1.0	-65.86	388.50	6.27	-59.59
C=CCOC(=O)N1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958264	0	44	-1.0	-42.73	374.67	3.14	-39.59
C=CCOC(=O)N1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958264	1	44	-1.0	-42.66	374.74	3.15	-39.51
NC1=NC=C(Br)C=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019958265	0	33	-1.0	-45.32	307.27	1.11	-44.21
NC1=NC=C(Br)C=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019958265	1	33	-1.0	-45.36	307.33	1.12	-44.24
NC1=NC=C(Br)C=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958266	0	36	-1.0	-49.58	331.65	4.01	-45.57
NC1=NC=C(Br)C=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958266	1	36	-1.0	-49.42	331.75	4.03	-45.39
NC1=NC=C(Br)C=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958267	0	33	-1.0	-35.78	317.87	0.89	-34.89
NC1=NC=C(Br)C=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958267	1	33	-1.0	-35.74	317.93	0.90	-34.84
CCOC(=O)[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019958268	0	44	-1.0	-50.91	357.94	4.73	-46.18
CCOC(=O)[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019958268	1	44	-1.0	-50.92	358.00	4.74	-46.18
CCOC(=O)[C@H]1CC[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958269	0	47	-1.0	-57.46	382.68	7.62	-49.84
CCOC(=O)[C@H]1CC[C@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019958269	1	47	-1.0	-56.93	382.36	7.66	-49.27
CCOC(=O)[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958270	0	44	-1.0	-38.35	368.53	4.52	-33.83
CCOC(=O)[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958270	1	44	-1.0	-38.31	368.60	4.54	-33.77
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCCC12CCC2	REAL300019958271	0	43	-1.0	-60.74	313.10	5.70	-55.04
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCCC12CCC2	REAL300019958271	1	43	-1.0	-60.54	313.18	5.70	-54.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCCC12CCC2	REAL300019958272	0	40	-1.0	-38.20	308.55	3.96	-34.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCCC12CCC2	REAL300019958272	1	40	-1.0	-38.16	308.62	3.97	-34.19
CCOC(=O)[C@H]1CCC[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019958273	0	44	-1.0	-48.16	357.94	4.72	-43.44
CCOC(=O)[C@H]1CCC[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019958273	1	44	-1.0	-48.17	358.00	4.73	-43.44
CCOC(=O)[C@H]1CCC[C@@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958274	0	47	-1.0	-53.49	382.28	7.65	-45.84
CCOC(=O)[C@H]1CCC[C@@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958274	1	47	-1.0	-53.52	382.77	7.64	-45.88
CCOC(=O)[C@H]1CCC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958275	0	44	-1.0	-38.33	368.53	4.51	-33.82
CCOC(=O)[C@H]1CCC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958275	1	44	-1.0	-38.35	368.60	4.53	-33.82
NC1=CC=C(CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=N1	REAL300019958276	0	46	-1.0	-49.39	365.02	4.79	-44.60
NC1=CC=C(CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=N1	REAL300019958276	1	46	-1.0	-49.36	365.08	4.81	-44.55
NC1=CC=C(CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=[NH+]1	REAL300019958276	1	47	0.0	-71.38	368.27	5.22	-66.16
NC1=CC=C(CC2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)C=N1	REAL300019958277	0	49	-1.0	-54.99	388.43	7.33	-47.66
NC1=CC=C(CC2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C=N1	REAL300019958277	1	49	-1.0	-56.22	388.42	7.37	-48.85
NC1=CC=C(CC2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C=[NH+]1	REAL300019958277	1	50	0.0	-76.59	391.58	7.78	-68.81
NC1=CC=C(CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=N1	REAL300019958278	0	46	-1.0	-39.89	373.09	4.91	-34.98
NC1=CC=C(CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=N1	REAL300019958278	1	46	-1.0	-39.87	373.16	4.91	-34.96
NC1=CC=C(CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=[NH+]1	REAL300019958278	1	47	0.0	-56.91	375.97	5.52	-51.39
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CCNC2=O)N=C1	REAL300019958279	0	37	-1.0	-55.41	316.87	-0.54	-55.95
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CCNC2=O)N=C1	REAL300019958279	1	37	-1.0	-55.43	316.81	-0.56	-55.99
O=C(NC1=CN(C2CCNC2=O)N=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958280	0	40	-1.0	-60.75	341.17	2.35	-58.40
O=C(NC1=CN(C2CCNC2=O)N=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958280	1	40	-1.0	-60.58	341.27	2.37	-58.21
O=C(NC1=CN(C2CCNC2=O)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958281	0	37	-1.0	-43.52	327.47	-0.75	-44.27
O=C(NC1=CN(C2CCNC2=O)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958281	1	37	-1.0	-43.53	327.41	-0.76	-44.29
O=C(CCCC1=NN=N[N-]1)NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300019958282	0	39	-1.0	-55.26	343.14	5.05	-50.21
O=C(CCCC1=N[N-]N=N1)NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300019958282	1	39	-1.0	-55.24	343.08	5.03	-50.21
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958283	0	42	-1.0	-61.87	367.43	7.93	-53.94
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958283	1	42	-1.0	-61.68	367.52	7.95	-53.73
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958284	0	39	-1.0	-41.29	353.71	4.84	-36.45
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958284	1	39	-1.0	-41.33	353.64	4.83	-36.50
O=C(CCCC1=N[N-]N=N1)NCC(=O)C1=CNC2=CC=CC=C12	REAL300019958285	0	38	-1.0	-52.10	330.20	3.50	-48.60
O=C(CCCC1=NN=N[N-]1)NCC(=O)C1=CNC2=CC=CC=C12	REAL300019958285	1	38	-1.0	-52.11	330.25	3.51	-48.60
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CNC2=CC=CC=C12	REAL300019958286	0	38	-1.0	-46.91	340.79	3.28	-43.63
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CNC2=CC=CC=C12	REAL300019958286	1	38	-1.0	-46.84	340.86	3.29	-43.55
O=C(NC1=CN=C2C=NC=CN12)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958287	0	34	-1.0	-56.81	298.35	5.91	-50.90
O=C(NC1=CN=C2C=NC=CN12)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958287	1	34	-1.0	-56.59	298.45	5.93	-50.66
O=C(NC1=CN=C2C=NC=CN12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958288	0	31	-1.0	-37.85	284.62	2.81	-35.04
O=C(NC1=CN=C2C=NC=CN12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958288	1	31	-1.0	-37.90	284.56	2.80	-35.10
O=C(NC1CC([NH+]2CCCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958289	0	48	0.0	-75.73	371.39	7.82	-67.91
O=C(NC1CC([NH+]2CCCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958289	1	48	0.0	-75.49	371.46	7.85	-67.64
O=C(NC1CC([NH+]2CCCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958290	0	45	0.0	-57.90	357.10	4.80	-53.10
O=C(NC1CC([NH+]2CCCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958290	1	45	0.0	-57.85	357.17	4.80	-53.05
CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300019958291	0	50	-1.0	-57.63	398.19	4.86	-52.77
CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300019958291	1	50	-1.0	-57.65	398.24	4.88	-52.77
CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019958292	0	53	-1.0	-57.62	417.92	7.29	-50.33
CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019958292	1	53	-1.0	-43.24	418.23	7.28	-35.96
CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019958293	0	50	-1.0	-40.26	404.37	5.09	-35.17
CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019958293	1	50	-1.0	-40.21	404.44	5.09	-35.12
CCN(C(=O)OC(C)(C)C)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019958294	0	49	-1.0	-51.38	386.27	4.77	-46.61
CCN(C(=O)OC(C)(C)C)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019958294	1	49	-1.0	-51.41	386.32	4.79	-46.62
CCN(C(=O)OC(C)(C)C)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958295	0	52	-1.0	-58.12	405.96	7.22	-50.90
CCN(C(=O)OC(C)(C)C)C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958295	1	52	-1.0	-57.93	406.06	7.24	-50.69
CCN(C(=O)OC(C)(C)C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958296	0	49	-1.0	-46.14	391.70	5.75	-40.39
CCN(C(=O)OC(C)(C)C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958296	1	49	-1.0	-46.15	391.78	5.76	-40.39
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1C1=NC=CS1	REAL300019958297	0	38	-1.0	-43.07	327.56	6.19	-36.88
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1C1=NC=CS1	REAL300019958297	1	38	-1.0	-42.94	327.63	6.22	-36.72
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C1=NC=CS1	REAL300019958298	0	35	-1.0	-38.86	313.87	3.99	-34.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C1=NC=CS1	REAL300019958298	1	35	-1.0	-38.84	313.94	4.00	-34.84
O=C(NC1=NC=C2C=CC=CN21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958299	0	35	-1.0	-64.62	306.56	9.49	-55.13
O=C(NC1=NC=C2C=CC=CN21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958299	1	35	-1.0	-64.43	306.63	9.52	-54.91
O=C(NC1=NC=C2C=CC=CN21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958300	0	32	-1.0	-42.64	292.45	6.42	-36.22
O=C(NC1=NC=C2C=CC=CN21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958300	1	32	-1.0	-42.64	292.39	6.39	-36.25
COC1=CC=C(C2=CNC(CNC(=O)CCCC3=N[N-]N=N3)=N2)C=C1	REAL300019958301	0	43	-1.0	-52.47	367.46	3.05	-49.42
COC1=CC=C(C2=CNC(CNC(=O)CCCC3=NN=N[N-]3)=N2)C=C1	REAL300019958301	1	43	-1.0	-52.46	367.52	3.07	-49.39
COC1=CC=C(C2=CNC(CNC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=N2)C=C1	REAL300019958302	0	46	-1.0	-57.55	391.83	5.95	-51.60
COC1=CC=C(C2=CNC(CNC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)=N2)C=C1	REAL300019958302	1	46	-1.0	-57.33	391.94	5.97	-51.36
COC1=CC=C(C2=CNC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=N2)C=C1	REAL300019958303	0	43	-1.0	-43.02	378.05	2.84	-40.18
COC1=CC=C(C2=CNC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=N2)C=C1	REAL300019958303	1	43	-1.0	-43.04	378.12	2.85	-40.19
COC(=O)C(CC1=CC=C(O)C(OC)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019958304	0	46	-1.0	-55.87	392.96	2.59	-53.28
COC(=O)C(CC1=CC=C(O)C(OC)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019958304	1	46	-1.0	-55.88	393.02	2.61	-53.27
COC(=O)C(CC1=CC=C(O)C(OC)=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958305	0	46	-1.0	-44.71	403.54	2.38	-42.33
COC(=O)C(CC1=CC=C(O)C(OC)=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958305	1	46	-1.0	-44.65	403.62	2.39	-42.26
O=C(CCCC1=N[N-]N=N1)N1CC(C2(C(F)(F)F)N=N2)C1	REAL300019958306	0	32	-1.0	-47.24	299.60	-1.23	-48.47
O=C(CCCC1=NN=N[N-]1)N1CC(C2(C(F)(F)F)N=N2)C1	REAL300019958306	1	32	-1.0	-47.25	299.66	-1.21	-48.46
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(C2(C(F)(F)F)N=N2)C1	REAL300019958307	0	32	-1.0	-35.67	307.61	-1.30	-36.97
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(C2(C(F)(F)F)N=N2)C1	REAL300019958307	1	32	-1.0	-35.64	307.67	-1.28	-36.92
O=C(N[C@H]1C[C@@H](CN2C=CN=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958308	0	42	-1.0	-60.75	353.52	7.98	-52.77
O=C(N[C@H]1C[C@@H](CN2C=CN=C2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958308	1	42	-1.0	-60.67	353.19	8.03	-52.64
O=C(N[C@H]1C[C@@H](CN2C=CN=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958309	0	39	-1.0	-40.98	339.34	4.89	-36.09
O=C(N[C@H]1C[C@@H](CN2C=CN=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958309	1	39	-1.0	-40.94	339.41	4.90	-36.04
COC(=O)C=CC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958310	0	41	-1.0	-52.13	341.74	6.23	-45.90
COC(=O)C=CC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958310	1	41	-1.0	-51.92	341.80	6.25	-45.67
COC(=O)C=CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958311	0	38	-1.0	-37.19	328.00	3.08	-34.11
COC(=O)C=CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958311	1	38	-1.0	-37.19	328.06	3.08	-34.11
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(C2=NNC=C2)C1	REAL300019958312	0	36	-1.0	-59.61	305.45	4.42	-55.19
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(C2=NNC=C2)C1	REAL300019958312	1	36	-1.0	-59.27	304.86	4.52	-54.75
O=C(NCC1=C2COCCC2=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958313	0	37	-1.0	-37.84	323.67	-0.35	-38.19
O=C(NCC1=C2COCCC2=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958313	1	37	-1.0	-37.84	323.74	-0.35	-38.19
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=NCCS2)CC1	REAL300019958314	0	39	-1.0	-48.35	323.52	3.26	-45.09
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=NCCS2)CC1	REAL300019958314	1	39	-1.0	-48.38	323.58	3.28	-45.10
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2=NCCS2)CC1	REAL300019958315	0	39	-1.0	-36.41	331.20	3.49	-32.92
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=NCCS2)CC1	REAL300019958315	1	39	-1.0	-36.40	331.27	3.51	-32.89
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C2=CC=CN=C2)C=C1	REAL300019958316	0	44	-1.0	-50.00	365.82	5.98	-44.02
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C2=CC=CN=C2)C=C1	REAL300019958316	1	44	-1.0	-49.93	365.76	5.96	-43.97
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(C2=CC=CN=C2)C=C1	REAL300019958317	0	47	-1.0	-55.84	390.14	8.89	-46.95
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=C(C2=CC=CN=C2)C=C1	REAL300019958317	1	47	-1.0	-55.93	390.61	8.88	-47.05
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(C2=CC=CN=C2)C=C1	REAL300019958318	0	44	-1.0	-38.32	376.48	5.77	-32.55
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(C2=CC=CN=C2)C=C1	REAL300019958318	1	44	-1.0	-38.35	376.41	5.75	-32.60
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(NC(=O)C2=CC=CC=C2O)C=C1	REAL300019958319	0	47	-1.0	-54.84	399.99	3.93	-50.91
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(NC(=O)C2=CC=CC=C2O)C=C1	REAL300019958319	1	47	-1.0	-54.88	400.05	3.94	-50.94
C[NH+](C)CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958320	0	47	0.0	-59.73	362.98	5.33	-54.40
C[NH+](C)CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958320	1	47	0.0	-59.77	363.04	5.35	-54.42
CN(C)C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019958321	0	37	-1.0	-36.97	315.44	3.55	-33.42
CN(C)C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019958321	1	37	-1.0	-37.00	315.37	3.54	-33.46
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019958322	0	40	-1.0	-38.14	335.13	3.60	-34.54
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019958322	1	40	-1.0	-38.08	335.19	3.59	-34.49
CS(=O)(=O)C=CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958323	0	35	-1.0	-60.89	318.18	1.52	-59.37
CS(=O)(=O)C=CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958323	1	35	-1.0	-60.61	318.24	1.54	-59.07
CS(=O)(=O)C=CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958324	0	32	-1.0	-43.32	304.02	-1.58	-44.90
CS(=O)(=O)C=CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958324	1	32	-1.0	-43.28	304.09	-1.57	-44.85
COC(=O)C1(CC(C)=O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019958325	0	46	-1.0	-59.82	362.37	5.61	-54.21
COC(=O)C1(CC(C)=O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019958325	1	46	-1.0	-59.88	362.43	5.63	-54.25
COC(=O)C1(CC(C)=O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958326	0	46	-1.0	-44.01	369.54	5.98	-38.03
COC(=O)C1(CC(C)=O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958326	1	46	-1.0	-43.98	369.61	5.99	-37.99
CC(C)(C)OC(=O)N1CC2(C1)CCCC2NC(=O)CCCC1=N[N-]N=N1	REAL300019958327	0	53	-1.0	-50.91	416.36	4.83	-46.08
CC(C)(C)OC(=O)N1CC2(C1)CCCC2NC(=O)CCCC1=NN=N[N-]1	REAL300019958327	1	53	-1.0	-50.96	416.42	4.85	-46.11
CC(C)(C)OC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958328	0	53	-1.0	-40.82	426.17	4.56	-36.26
CC(C)(C)OC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958328	1	53	-1.0	-40.78	426.24	4.57	-36.21
CC(C)S(=O)(=NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL300019958329	0	42	-1.0	-74.16	347.18	5.57	-68.59
CC(C)S(=O)(=NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL300019958329	1	42	-1.0	-73.92	347.15	5.58	-68.34
CC(C)S(=O)(=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300019958330	0	39	-1.0	-52.24	324.16	2.02	-50.22
CC(C)S(=O)(=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300019958330	1	39	-1.0	-52.23	324.21	2.01	-50.22
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=CN=CN=C2)=C1	REAL300019958331	0	37	-1.0	-49.77	317.51	4.81	-44.96
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=CN=CN=C2)=C1	REAL300019958331	1	37	-1.0	-49.78	317.45	4.79	-44.99
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958332	0	40	-1.0	-59.21	341.53	7.73	-51.48
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958332	1	40	-1.0	-57.75	342.21	7.76	-49.99
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958333	0	37	-1.0	-38.42	328.12	4.59	-33.83
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958333	1	37	-1.0	-38.43	328.05	4.59	-33.84
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=CC=CN=C2)=C1	REAL300019958334	0	38	-1.0	-49.83	322.27	5.03	-44.80
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=CC=CN=C2)=C1	REAL300019958334	1	38	-1.0	-49.82	322.21	5.01	-44.81
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958335	0	41	-1.0	-61.77	347.33	7.87	-53.90
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958335	1	41	-1.0	-63.02	347.27	7.91	-55.11
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958336	0	38	-1.0	-38.96	332.88	4.80	-34.16
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958336	1	38	-1.0	-38.99	332.82	4.80	-34.19
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN=C1OC(F)F	REAL300019958337	0	35	-1.0	-50.44	311.66	1.54	-48.90
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN=C1OC(F)F	REAL300019958337	1	35	-1.0	-50.44	311.60	1.53	-48.91
CC1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CN=C1OC(F)F	REAL300019958338	0	38	-1.0	-55.04	335.76	4.42	-50.62
CC1=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=CN=C1OC(F)F	REAL300019958338	1	38	-1.0	-54.82	335.86	4.45	-50.37
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CN=C1OC(F)F	REAL300019958339	0	35	-1.0	-38.80	322.25	1.32	-37.48
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CN=C1OC(F)F	REAL300019958339	1	35	-1.0	-38.81	322.19	1.31	-37.50
CCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN(C)C=C1	REAL300019958340	0	41	-1.0	-53.04	340.72	5.45	-47.59
CCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN(C)C=C1	REAL300019958340	1	41	-1.0	-52.81	340.82	5.48	-47.33
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN(C)C=C1	REAL300019958341	0	38	-1.0	-38.59	323.89	2.50	-36.09
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN(C)C=C1	REAL300019958341	1	38	-1.0	-38.58	323.96	2.50	-36.08
CC(CC1=CC=CC=C1)CN(C)C(=O)CCCC1=N[N-]N=N1	REAL300019958342	0	44	-1.0	-49.72	350.76	7.49	-42.23
CC(CC1=CC=CC=C1)CN(C)C(=O)CCCC1=NN=N[N-]1	REAL300019958342	1	44	-1.0	-49.70	350.82	7.50	-42.20
CC(CC1=CC=CC=C1)CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958343	0	47	-1.0	-40.18	372.78	10.12	-30.06
CC(CC1=CC=CC=C1)CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958343	1	47	-1.0	-40.00	372.89	10.14	-29.86
CC(CC1=CC=CC=C1)CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958344	0	44	-1.0	-37.48	358.71	7.88	-29.60
CC(CC1=CC=CC=C1)CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958344	1	44	-1.0	-37.47	358.77	7.91	-29.56
CN(CC1=CC=CC(F)=C1F)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958345	0	38	-1.0	-47.35	323.71	8.19	-39.16
CN(CC1=CC=CC(F)=C1F)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958345	1	38	-1.0	-47.15	323.80	8.21	-38.94
CN(CC1=CC=CC(F)=C1F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958346	0	35	-1.0	-43.68	309.82	6.06	-37.62
CN(CC1=CC=CC(F)=C1F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958346	1	35	-1.0	-43.71	309.89	6.06	-37.65
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019958347	0	42	-1.0	-54.91	356.07	6.82	-48.09
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019958347	1	42	-1.0	-54.89	356.01	6.81	-48.08
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958348	0	45	-1.0	-64.29	377.26	9.33	-54.96
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958348	1	45	-1.0	-64.10	377.30	9.34	-54.76
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958349	0	42	-1.0	-42.36	363.77	7.21	-35.15
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958349	1	42	-1.0	-42.41	363.70	7.20	-35.21
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1CC1(F)F	REAL300019958350	0	36	-1.0	-48.49	312.01	5.75	-42.74
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1CC1(F)F	REAL300019958350	1	36	-1.0	-48.54	312.07	5.76	-42.78
O=C(NC1=CC=CC=C1C1CC1(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958351	0	39	-1.0	-53.53	336.38	8.67	-44.86
O=C(NC1=CC=CC=C1C1CC1(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958351	1	39	-1.0	-53.33	336.49	8.69	-44.64
O=C(NC1=CC=CC=C1C1CC1(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958352	0	36	-1.0	-38.12	321.67	5.53	-32.59
O=C(NC1=CC=CC=C1C1CC1(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958352	1	36	-1.0	-38.13	321.60	5.52	-32.61
CN(CC1=NC=CN1C1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958353	0	42	-1.0	-48.87	348.88	7.99	-40.88
CN(CC1=NC=CN1C1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958353	1	42	-1.0	-48.60	348.97	8.02	-40.58
CN(CC1=NC=CN1C1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958354	0	39	-1.0	-37.38	328.36	5.71	-31.67
CN(CC1=NC=CN1C1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958354	1	39	-1.0	-37.33	328.44	5.73	-31.60
CN(CC1=NC2=C(CCCC2)N1C)C(=O)CCCC1=N[N-]N=N1	REAL300019958355	0	45	-1.0	-46.09	353.88	6.22	-39.87
CN(CC1=NC2=C(CCCC2)N1C)C(=O)CCCC1=NN=N[N-]1	REAL300019958355	1	45	-1.0	-46.11	353.95	6.24	-39.87
CN(CC1=NC2=C(CCCC2)N1C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958356	0	48	-1.0	-52.17	375.00	8.73	-43.44
CN(CC1=NC2=C(CCCC2)N1C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958356	1	48	-1.0	-52.04	375.09	8.76	-43.28
CN(CC1=NC2=C(CCCC2)N1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958357	0	45	-1.0	-38.49	361.87	6.62	-31.87
CN(CC1=NC2=C(CCCC2)N1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958357	1	45	-1.0	-38.47	361.94	6.63	-31.84
CC1=CC(C)=C([C@H](C)NC(=O)CCCC2=N[N-]N=N2)C(C)=C1	REAL300019958358	0	44	-1.0	-46.46	344.86	6.39	-40.07
CC1=CC(C)=C([C@H](C)NC(=O)CCCC2=NN=N[N-]2)C(C)=C1	REAL300019958358	1	44	-1.0	-46.47	344.91	6.41	-40.06
CC1=CC(C)=C([C@H](C)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)=C1	REAL300019958359	0	47	-1.0	-52.44	369.35	9.29	-43.15
CC1=CC(C)=C([C@H](C)NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)=C1	REAL300019958359	1	47	-1.0	-51.87	368.84	9.35	-42.52
CC1=CC(C)=C([C@H](C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=C1	REAL300019958360	0	44	-1.0	-35.83	355.45	6.18	-29.65
CC1=CC(C)=C([C@H](C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=C1	REAL300019958360	1	44	-1.0	-35.79	355.52	6.19	-29.60
CC(C)N(CC1=NC=CN1C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958361	0	44	-1.0	-38.81	344.43	8.11	-30.70
CC(C)N(CC1=NC=CN1C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958361	1	44	-1.0	-38.63	344.50	8.11	-30.52
CC(C)N(CC1=NC=CN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958362	0	41	-1.0	-45.11	331.90	6.65	-38.46
CC(C)N(CC1=NC=CN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958362	1	41	-1.0	-45.09	331.97	6.66	-38.43
CCN(CC1=NC=CN1C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958363	0	41	-1.0	-40.07	330.27	7.29	-32.78
CCN(CC1=NC=CN1C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958363	1	41	-1.0	-39.91	330.36	7.29	-32.62
CCN(CC1=NC=CN1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958364	0	38	-1.0	-37.15	318.18	5.58	-31.57
CCN(CC1=NC=CN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958364	1	38	-1.0	-37.06	318.25	5.60	-31.46
O=C(N[C@@H](C1CC1)C(F)(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958365	0	35	-1.0	-53.05	300.81	5.76	-47.29
O=C(N[C@@H](C1CC1)C(F)(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958365	1	35	-1.0	-52.85	300.91	5.77	-47.08
O=C(N[C@@H](C1CC1)C(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958366	0	32	-1.0	-35.27	293.25	2.79	-32.48
O=C(N[C@@H](C1CC1)C(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958366	1	32	-1.0	-35.22	293.31	2.80	-32.42
CCOC(=O)C1(F)CN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C(F)(F)F	REAL300019958367	0	44	-1.0	-48.84	372.01	5.78	-43.06
CCOC(=O)C1(F)CN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C(F)(F)F	REAL300019958367	1	44	-1.0	-48.86	372.07	5.80	-43.06
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NNC3=C2COCC3)=C1	REAL300019958368	0	44	-1.0	-59.03	363.26	3.21	-55.82
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NNC3=C2COCC3)=C1	REAL300019958368	1	44	-1.0	-59.07	363.32	3.22	-55.85
O=C(NC1=CC=CC(C2=NNC3=C2COCC3)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958369	0	44	-1.0	-44.39	373.53	3.00	-41.39
O=C(NC1=CC=CC(C2=NNC3=C2COCC3)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958369	1	44	-1.0	-44.37	373.60	3.01	-41.36
O=C(N[C@H](C1CC1)C(F)(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958370	0	35	-1.0	-52.94	300.24	5.73	-47.21
O=C(N[C@H](C1CC1)C(F)(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958370	1	35	-1.0	-52.75	300.34	5.76	-46.99
O=C(N[C@H](C1CC1)C(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958371	0	32	-1.0	-35.11	286.46	2.62	-32.49
O=C(N[C@H](C1CC1)C(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958371	1	32	-1.0	-35.08	286.52	2.63	-32.45
C#CC1(O)CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958372	0	41	-1.0	-57.08	341.38	3.95	-53.13
C#CC1(O)CCCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958372	1	41	-1.0	-56.97	341.44	3.97	-53.00
C#CC1(O)CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958373	0	38	-1.0	-38.19	327.22	0.85	-37.34
C#CC1(O)CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958373	1	38	-1.0	-38.22	327.28	0.86	-37.36
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC(C(F)F)CC1	REAL300019958374	0	41	-1.0	-47.16	315.29	5.80	-41.36
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC(C(F)F)CC1	REAL300019958374	1	41	-1.0	-47.15	315.34	5.81	-41.34
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC(C(F)F)CC1	REAL300019958375	0	44	-1.0	-41.63	349.27	8.30	-33.33
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCC(C(F)F)CC1	REAL300019958375	1	44	-1.0	-41.45	349.35	8.33	-33.12
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC(C(F)F)CC1	REAL300019958376	0	41	-1.0	-38.02	334.77	6.18	-31.84
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC(C(F)F)CC1	REAL300019958376	1	41	-1.0	-38.04	334.84	6.20	-31.84
C[NH+]1CCC(NC(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019958377	0	45	0.0	-74.24	359.22	1.49	-72.75
C[NH+]1CCC(NC(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019958377	1	45	0.0	-74.25	359.28	1.51	-72.74
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958378	0	48	0.0	-78.11	383.97	4.37	-73.74
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019958378	1	48	0.0	-77.94	384.04	4.40	-73.54
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958379	0	45	0.0	-66.64	369.81	1.28	-65.36
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958379	1	45	0.0	-66.67	369.88	1.29	-65.38
O=C(CCCC1=NN=N[N-]1)NC1=NC=C(C2CCCCO2)S1	REAL300019958380	0	39	-1.0	-52.06	336.36	3.87	-48.19
O=C(CCCC1=N[N-]N=N1)NC1=NC=C(C2CCCCO2)S1	REAL300019958380	1	39	-1.0	-52.06	336.30	3.85	-48.21
O=C(NC1=NC=C(C2CCCCO2)S1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958381	0	42	-1.0	-57.90	360.60	6.79	-51.11
O=C(NC1=NC=C(C2CCCCO2)S1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958381	1	42	-1.0	-57.80	361.09	6.77	-51.03
O=C(NC1=NC=C(C2CCCCO2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958382	0	39	-1.0	-38.62	346.93	3.66	-34.96
O=C(NC1=NC=C(C2CCCCO2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958382	1	39	-1.0	-38.61	346.86	3.66	-34.95
COC(=O)C1(CF)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958383	0	41	-1.0	-56.38	341.36	6.58	-49.80
COC(=O)C1(CF)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958383	1	41	-1.0	-55.37	341.54	6.65	-48.72
COC(=O)C1(CF)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958384	0	38	-1.0	-39.82	328.28	4.22	-35.60
COC(=O)C1(CF)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958384	1	38	-1.0	-39.79	328.35	4.22	-35.57
CC(C)(C)C1=NOC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958385	0	45	-1.0	-54.59	370.11	5.62	-48.97
CC(C)(C)C1=NOC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958385	1	45	-1.0	-54.41	370.22	5.64	-48.77
CC(C)(C)C1=NOC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958386	0	42	-1.0	-40.89	356.33	2.52	-38.37
CC(C)(C)C1=NOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958386	1	42	-1.0	-40.82	356.40	2.53	-38.29
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3	REAL300019958387	0	48	-1.0	-47.94	346.81	4.44	-43.50
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3	REAL300019958387	1	48	-1.0	-47.94	346.87	4.46	-43.48
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3	REAL300019958388	0	51	-1.0	-55.92	368.36	6.89	-49.03
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3	REAL300019958388	1	51	-1.0	-55.98	368.32	6.85	-49.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3	REAL300019958389	0	48	-1.0	-37.25	354.62	4.87	-32.38
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3	REAL300019958389	1	48	-1.0	-37.23	354.68	4.87	-32.36
CN1N=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300019958390	0	38	-2.0	-110.12	341.48	1.43	-108.69
CN1N=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300019958390	1	38	-2.0	-110.13	341.53	1.44	-108.69
CN1N=C(C(=O)[N-]NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300019958391	0	41	-2.0	-121.52	365.85	4.29	-117.23
CN1N=C(C(=O)[N-]NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300019958391	1	41	-2.0	-121.35	365.95	4.31	-117.04
CN1N=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C21	REAL300019958392	0	38	-2.0	-103.99	352.49	1.17	-102.82
CN1N=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C21	REAL300019958392	1	38	-2.0	-103.97	352.55	1.17	-102.80
O=C(NC1=NC2=C(CCC2)S1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958393	0	35	-1.0	-61.06	309.69	6.86	-54.20
O=C(NC1=NC2=C(CCC2)S1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958393	1	35	-1.0	-60.90	310.18	6.83	-54.07
O=C(NC1=NC2=C(CCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958394	0	32	-1.0	-40.21	295.95	3.71	-36.50
O=C(NC1=NC2=C(CCC2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958394	1	32	-1.0	-40.15	296.02	3.72	-36.43
CCOC(=O)C12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)OC2C1=CC=CC=C1	REAL300019958395	0	53	-1.0	-49.95	436.75	6.36	-43.59
CCOC(=O)C12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)OC2C1=CC=CC=C1	REAL300019958395	1	53	-1.0	-49.90	436.80	6.37	-43.53
CCOC(=O)[C@H]1CC[C@H](CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019958396	0	47	-1.0	-49.37	377.70	5.45	-43.92
CCOC(=O)[C@H]1CC[C@H](CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019958396	1	47	-1.0	-49.40	377.75	5.46	-43.94
CCOC(=O)[C@H]1CC[C@H](CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958397	0	50	-1.0	-55.06	402.43	8.33	-46.73
CCOC(=O)[C@H]1CC[C@H](CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019958397	1	50	-1.0	-54.93	402.10	8.38	-46.55
CCOC(=O)[C@H]1CC[C@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958398	0	47	-1.0	-38.29	388.28	5.24	-33.05
CCOC(=O)[C@H]1CC[C@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958398	1	47	-1.0	-38.24	388.36	5.24	-33.00
N#CC1=CC=C(C(CF)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019958399	0	36	-1.0	-52.37	321.01	4.82	-47.55
N#CC1=CC=C(C(CF)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019958399	1	36	-1.0	-52.35	321.07	4.83	-47.52
N#CC1=CC=C(C(CF)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019958400	0	39	-1.0	-58.53	345.38	7.70	-50.83
N#CC1=CC=C(C(CF)NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019958400	1	39	-1.0	-58.36	345.48	7.73	-50.63
N#CC1=CC=C(C(CF)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019958401	0	36	-1.0	-40.61	331.65	4.59	-36.02
N#CC1=CC=C(C(CF)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019958401	1	36	-1.0	-40.58	331.72	4.61	-35.97
O=C(CCCC1=N[N-]N=N1)NC1CS(=O)(=O)C12CCCC2	REAL300019958402	0	39	-1.0	-51.44	323.87	0.36	-51.08
O=C(CCCC1=NN=N[N-]1)NC1CS(=O)(=O)C12CCCC2	REAL300019958402	1	39	-1.0	-51.44	323.93	0.38	-51.06
O=C(NC1CS(=O)(=O)C12CCCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958403	0	42	-1.0	-56.93	348.23	3.28	-53.65
O=C(NC1CS(=O)(=O)C12CCCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958403	1	42	-1.0	-57.01	348.70	3.26	-53.75
O=C(NC1CS(=O)(=O)C12CCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958404	0	39	-1.0	-40.23	334.77	0.55	-39.68
O=C(NC1CS(=O)(=O)C12CCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958404	1	39	-1.0	-40.16	334.84	0.55	-39.61
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300019958405	0	55	0.0	-82.51	439.10	6.94	-75.57
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300019958405	1	55	0.0	-81.07	439.44	6.96	-74.11
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300019958405	1	55	0.0	-82.56	439.15	6.95	-75.61
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300019958405	1	55	0.0	-81.07	439.49	6.97	-74.10
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC(CO)C2(CCC2)C1	REAL300019958406	0	43	-1.0	-59.11	336.94	4.27	-54.84
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC(CO)C2(CCC2)C1	REAL300019958406	1	43	-1.0	-59.11	336.89	4.23	-54.88
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CO)C2(CCC2)C1	REAL300019958407	0	40	-1.0	-38.36	323.49	2.00	-36.36
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CO)C2(CCC2)C1	REAL300019958407	1	40	-1.0	-38.34	323.55	2.01	-36.33
CC(C)N1CC(C)(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1=O	REAL300019958408	0	45	-1.0	-58.22	371.56	5.56	-52.66
CC(C)N1CC(C)(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1=O	REAL300019958408	1	45	-1.0	-56.94	372.03	5.55	-51.39
CC(C)N1CC(C)(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300019958409	0	42	-1.0	-44.04	358.08	2.54	-41.50
CC(C)N1CC(C)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300019958409	1	42	-1.0	-44.00	358.15	2.54	-41.46
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300019958410	0	45	-1.0	-50.75	350.87	5.45	-45.30
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300019958410	1	45	-1.0	-50.82	350.92	5.47	-45.35
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958411	0	48	-1.0	-57.00	375.20	8.37	-48.63
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958411	1	48	-1.0	-56.30	375.69	8.37	-47.93
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958412	0	45	-1.0	-40.80	361.46	5.24	-35.56
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958412	1	45	-1.0	-40.76	361.51	5.25	-35.51
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CC2(CCC2)OC2=CC=C(F)C=C21	REAL300019958413	0	44	-1.0	-49.86	353.83	5.59	-44.27
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CC2(CCC2)OC2=CC=C(F)C=C21	REAL300019958413	1	44	-1.0	-49.89	353.88	5.61	-44.28
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O=C(N[C@@H]1CC2(CCC2)OC2=CC=C(F)C=C21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958414	1	47	-1.0	-57.35	378.58	8.50	-48.85
O=C(N[C@@H]1CC2(CCC2)OC2=CC=C(F)C=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958415	0	44	-1.0	-37.54	364.21	5.40	-32.14
O=C(N[C@@H]1CC2(CCC2)OC2=CC=C(F)C=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958415	1	44	-1.0	-37.55	364.27	5.40	-32.15
CC1=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300019958416	0	38	-1.0	-50.48	338.87	7.51	-42.97
CC1=CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300019958416	1	38	-1.0	-50.31	338.97	7.51	-42.80
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300019958417	0	35	-1.0	-35.27	325.14	4.37	-30.90
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300019958417	1	35	-1.0	-35.27	325.20	4.38	-30.89
O=C(CCCC1=N[N-]N=N1)N[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C1=CC=CC=C1	REAL300019958418	0	44	-1.0	-47.95	349.15	7.04	-40.91
O=C(CCCC1=NN=N[N-]1)N[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C1=CC=CC=C1	REAL300019958418	1	44	-1.0	-47.97	349.21	7.05	-40.92
O=C(N[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958419	0	47	-1.0	-55.14	374.13	9.91	-45.23
O=C(N[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958419	1	47	-1.0	-54.99	374.21	9.94	-45.05
O=C(N[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958420	0	44	-1.0	-36.19	359.87	6.83	-29.36
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CC1(C)CC(CNC(=O)CCCC2=N[N-]N=N2)CC(C)(C)O1	REAL300019958421	0	48	-1.0	-46.85	367.23	4.14	-42.71
CC1(C)CC(CNC(=O)CCCC2=NN=N[N-]2)CC(C)(C)O1	REAL300019958421	1	48	-1.0	-46.85	367.29	4.15	-42.70
CC1(C)CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC(C)(C)O1	REAL300019958422	0	51	-1.0	-52.70	391.51	7.05	-45.65
CC1(C)CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC(C)(C)O1	REAL300019958422	1	51	-1.0	-52.51	391.61	7.07	-45.44
CC1(C)CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(C)(C)O1	REAL300019958423	0	48	-1.0	-35.34	377.73	3.93	-31.41
CC1(C)CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)(C)O1	REAL300019958423	1	48	-1.0	-35.26	377.80	3.94	-31.32
O=C(CCCC1=N[N-]N=N1)NCC1=CC(Cl)=CC=C1Cl	REAL300019958424	0	32	-1.0	-45.86	310.21	4.40	-41.46
O=C(CCCC1=NN=N[N-]1)NCC1=CC(Cl)=CC=C1Cl	REAL300019958424	1	32	-1.0	-45.86	310.27	4.42	-41.44
O=C(NCC1=CC(Cl)=CC=C1Cl)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958425	0	35	-1.0	-51.17	334.59	7.30	-43.87
O=C(NCC1=CC(Cl)=CC=C1Cl)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958425	1	35	-1.0	-51.06	334.69	7.33	-43.73
O=C(NCC1=CC(Cl)=CC=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958426	0	32	-1.0	-35.52	320.81	4.20	-31.32
O=C(NCC1=CC(Cl)=CC=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958426	1	32	-1.0	-35.54	320.88	4.20	-31.34
CC1(C)CCOC1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958427	0	45	-1.0	-56.20	355.63	5.38	-50.82
CC1(C)CCOC1CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958427	1	45	-1.0	-55.98	355.72	5.40	-50.58
CC1(C)CCOC1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958428	0	42	-1.0	-36.78	341.84	2.27	-34.51
CC1(C)CCOC1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958428	1	42	-1.0	-36.75	341.91	2.28	-34.47
CC(C)(C)OC(=O)NCC1CN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL300019958429	0	55	-1.0	-50.49	422.94	4.12	-46.37
CC(C)(C)OC(=O)NCC1CN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL300019958429	1	55	-1.0	-50.52	422.99	4.14	-46.38
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019958430	0	39	-1.0	-47.47	346.96	7.62	-39.85
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019958430	1	39	-1.0	-47.45	347.02	7.63	-39.82
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958431	0	42	-1.0	-38.85	366.45	10.06	-28.79
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958431	1	42	-1.0	-38.71	366.52	10.08	-28.63
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958432	0	39	-1.0	-36.81	353.18	8.27	-28.54
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958432	1	39	-1.0	-36.78	353.25	8.27	-28.51
O=C(NCC1CC2(CC2)CO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958433	0	40	-1.0	-52.77	332.79	5.00	-47.77
O=C(NCC1CC2(CC2)CO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958433	1	40	-1.0	-52.18	333.27	4.98	-47.20
O=C(NCC1CC2(CC2)CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958434	0	37	-1.0	-36.56	319.04	1.87	-34.69
O=C(NCC1CC2(CC2)CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958434	1	37	-1.0	-36.57	319.11	1.88	-34.69
O=C(CCCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2)CC1(F)F	REAL300019958435	0	39	-1.0	-50.13	340.49	5.53	-44.60
O=C(CCCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)CC1(F)F	REAL300019958435	1	39	-1.0	-50.17	340.55	5.55	-44.62
O=C(NCC1(C2=CC=CC=C2)CC1(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958436	0	42	-1.0	-55.60	358.56	8.34	-47.26
O=C(NCC1(C2=CC=CC=C2)CC1(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958436	1	42	-1.0	-55.43	358.67	8.36	-47.07
O=C(NCC1(C2=CC=CC=C2)CC1(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958437	0	39	-1.0	-36.60	342.58	5.14	-31.46
O=C(NCC1(C2=CC=CC=C2)CC1(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958437	1	39	-1.0	-36.61	342.64	5.14	-31.47
COC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C12	REAL300019958438	0	45	-1.0	-51.33	371.41	5.72	-45.61
COC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300019958438	1	45	-1.0	-51.39	371.47	5.73	-45.66
COC1=CC=C(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C2=CC=CC=C12	REAL300019958439	0	48	-1.0	-57.45	395.76	8.63	-48.82
COC1=CC=C(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C2=CC=CC=C12	REAL300019958439	1	48	-1.0	-57.28	396.23	8.62	-48.66
COC1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C12	REAL300019958440	0	45	-1.0	-38.90	382.00	5.51	-33.39
COC1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C12	REAL300019958440	1	45	-1.0	-38.86	382.07	5.52	-33.34
CN(CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300019958441	0	55	-1.0	-49.31	445.99	6.49	-42.82
CN(CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300019958441	1	55	-1.0	-49.34	446.05	6.50	-42.84
CN1CNC(=O)C12CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300019958442	0	42	-1.0	-50.45	320.73	-0.88	-51.33
CN1CNC(=O)C12CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300019958442	1	42	-1.0	-50.43	320.78	-0.86	-51.29
CN1CNC(=O)C12CCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)CC2	REAL300019958443	0	45	-1.0	-53.88	342.65	1.63	-52.25
CN1CNC(=O)C12CCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)CC2	REAL300019958443	1	45	-1.0	-53.69	342.74	1.65	-52.04
CN1CNC(=O)C12CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300019958444	0	42	-1.0	-40.13	328.85	-0.66	-40.79
CN1CNC(=O)C12CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300019958444	1	42	-1.0	-40.05	328.92	-0.65	-40.70
N#CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300019958445	0	36	-1.0	-50.01	334.63	4.98	-45.03
N#CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300019958445	1	36	-1.0	-50.03	334.68	5.00	-45.03
N#CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300019958446	0	39	-1.0	-54.86	358.97	7.92	-46.94
N#CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300019958446	1	39	-1.0	-53.90	359.45	7.90	-46.00
N#CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300019958447	0	36	-1.0	-38.70	345.18	4.77	-33.93
N#CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300019958447	1	36	-1.0	-38.68	345.25	4.78	-33.90
CC(C)C1CCCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958448	0	44	-1.0	-53.57	345.31	7.97	-45.60
CC(C)C1CCCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958448	1	44	-1.0	-53.37	345.41	7.98	-45.39
CC(C)C1CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958449	0	41	-1.0	-35.19	331.92	4.43	-30.76
CC(C)C1CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958449	1	41	-1.0	-35.20	332.00	4.44	-30.76
CS(=O)(=NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCCC1	REAL300019958450	0	40	-1.0	-56.30	338.16	5.61	-50.69
CS(=O)(=NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCCC1	REAL300019958450	1	40	-1.0	-70.23	338.12	5.62	-64.61
CS(=O)(=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300019958451	0	37	-1.0	-52.96	322.76	2.27	-50.69
CS(=O)(=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300019958451	1	37	-1.0	-52.98	322.81	2.27	-50.71
O=C(CCCC1=N[N-]N=N1)NCC1CC(C2=CC=C(Cl)C=C2)C1	REAL300019958452	0	42	-1.0	-47.66	360.04	6.48	-41.18
O=C(CCCC1=NN=N[N-]1)NCC1CC(C2=CC=C(Cl)C=C2)C1	REAL300019958452	1	42	-1.0	-47.71	360.11	6.50	-41.21
O=C(NCC1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958453	0	45	-1.0	-53.84	384.79	9.36	-44.48
O=C(NCC1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958453	1	45	-1.0	-53.64	384.86	9.38	-44.26
O=C(NCC1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958454	0	42	-1.0	-36.09	370.64	6.28	-29.81
O=C(NCC1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958454	1	42	-1.0	-36.08	370.71	6.29	-29.79
O=C(CCCC1=N[N-]N=N1)N1CCC(S(=O)(=O)C2CCCCC2)CC1	REAL300019958455	0	51	-1.0	-56.12	396.50	4.37	-51.75
O=C(CCCC1=NN=N[N-]1)N1CCC(S(=O)(=O)C2CCCCC2)CC1	REAL300019958455	1	51	-1.0	-56.15	396.55	4.39	-51.76
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(Br)C(Cl)=C2C1	REAL300019958456	0	36	-1.0	-45.92	329.24	6.74	-39.18
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(Br)C(Cl)=C2C1	REAL300019958456	1	36	-1.0	-45.94	329.30	6.75	-39.19
CCOC(=O)CC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL300019958457	0	42	-1.0	-46.32	341.02	2.56	-43.76
CCOC(=O)CC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL300019958457	1	42	-1.0	-46.34	341.08	2.57	-43.77
CCOC(=O)CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCOC1	REAL300019958458	0	45	-1.0	-50.41	366.32	5.39	-45.02
CCOC(=O)CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCOC1	REAL300019958458	1	45	-1.0	-50.24	366.36	5.40	-44.84
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COC(=O)C1=CC=C(C2(CNC(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019958469	1	45	-1.0	-51.32	380.35	5.98	-45.34
COC(=O)C1=CC=C(C2(CNC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C=C1	REAL300019958470	0	48	-1.0	-57.26	405.46	8.99	-48.27
COC(=O)C1=CC=C(C2(CNC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)C=C1	REAL300019958470	1	48	-1.0	-57.49	408.07	9.03	-48.46
COC(=O)C1=CC=C(C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300019958471	0	45	-1.0	-40.27	394.92	5.89	-34.38
COC(=O)C1=CC=C(C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300019958471	1	45	-1.0	-40.23	394.99	5.90	-34.33
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CC1=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NN1C	REAL300019958474	0	38	-1.0	-55.10	325.77	4.55	-50.55
CC1=CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=NN1C	REAL300019958474	1	38	-1.0	-54.94	325.86	4.55	-50.39
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300019958475	0	52	-1.0	-54.13	419.31	4.04	-50.09
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300019958475	1	52	-1.0	-54.13	419.37	4.05	-50.08
CC(C)(C)OC(=O)N1CC2CCCC1C2CNC(=O)CCCC1=N[N-]N=N1	REAL300019958476	0	56	-1.0	-53.62	426.76	5.85	-47.77
CC(C)(C)OC(=O)N1CC2CCCC1C2CNC(=O)CCCC1=NN=N[N-]1	REAL300019958476	1	56	-1.0	-53.60	426.82	5.86	-47.74
CC(C)C[C@@H](CO)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958477	0	44	-1.0	-52.82	341.49	5.07	-47.75
CC(C)C[C@@H](CO)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958477	1	44	-1.0	-52.61	341.58	5.08	-47.53
CC(C)C[C@@H](CO)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958478	0	41	-1.0	-36.55	327.79	2.94	-33.61
CC(C)C[C@@H](CO)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958478	1	41	-1.0	-36.56	327.86	2.95	-33.61
O=C(CCCC1=N[N-]N=N1)N1CCS(=O)(=O)N2CCCCC12	REAL300019958479	0	41	-1.0	-53.30	332.24	1.29	-52.01
O=C(CCCC1=NN=N[N-]1)N1CCS(=O)(=O)N2CCCCC12	REAL300019958479	1	41	-1.0	-53.30	332.30	1.31	-51.99
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCS(=O)(=O)N2CCCCC12	REAL300019958480	0	44	-1.0	-53.83	354.74	3.75	-50.08
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCS(=O)(=O)N2CCCCC12	REAL300019958480	1	44	-1.0	-53.60	354.83	3.77	-49.83
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCS(=O)(=O)N2CCCCC12	REAL300019958481	0	41	-1.0	-39.36	336.31	2.02	-37.34
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CC(CC1=CC=CC=C1)(NC(=O)CCCC1=N[N-]N=N1)C(N)=O	REAL300019958482	0	42	-1.0	-55.69	343.43	1.49	-54.20
CC(CC1=CC=CC=C1)(NC(=O)CCCC1=NN=N[N-]1)C(N)=O	REAL300019958482	1	42	-1.0	-55.71	343.49	1.51	-54.20
CC(CC1=CC=CC=C1)(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(N)=O	REAL300019958483	0	45	-1.0	-61.56	367.79	4.41	-57.15
CC(CC1=CC=CC=C1)(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(N)=O	REAL300019958483	1	45	-1.0	-61.31	367.89	4.43	-56.88
CC(CC1=CC=CC=C1)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL300019958484	0	42	-1.0	-40.33	354.00	1.29	-39.04
CC(CC1=CC=CC=C1)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL300019958484	1	42	-1.0	-40.35	354.07	1.29	-39.06
CCN1C=CN=C1CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958485	0	41	-1.0	-63.52	335.65	7.20	-56.32
CCN1C=CN=C1CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958485	1	41	-1.0	-63.31	335.77	7.21	-56.10
CCN1C=CN=C1CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958486	0	38	-1.0	-43.07	321.89	5.13	-37.94
CCN1C=CN=C1CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958486	1	38	-1.0	-43.04	321.99	5.16	-37.88
CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019958487	0	56	-1.0	-50.65	425.01	6.10	-44.55
CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019958487	1	56	-1.0	-50.73	425.07	6.12	-44.61
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CC1=CC(CN(C)C(=O)CCCC2=N[N-]N=N2)=CC=C1Br	REAL300019958489	0	38	-1.0	-48.66	335.46	6.77	-41.89
CC1=CC(CN(C)C(=O)CCCC2=NN=N[N-]2)=CC=C1Br	REAL300019958489	1	38	-1.0	-48.61	335.52	6.78	-41.83
CC1=CC(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Br	REAL300019958490	0	38	-1.0	-36.67	343.64	7.17	-29.50
CC1=CC(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Br	REAL300019958490	1	38	-1.0	-36.67	343.71	7.19	-29.48
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O=C(NC1=NC2=CC=CN=C2S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958492	0	30	-1.0	-38.96	290.22	1.83	-37.13
O=C(NC1=NC2=CC=CN=C2S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958492	1	30	-1.0	-39.01	290.15	1.83	-37.18
CC1(C)CC(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(=O)N1	REAL300019958493	0	45	-1.0	-65.25	360.98	3.70	-61.55
CC1(C)CC(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(=O)N1	REAL300019958493	1	45	-1.0	-65.08	361.08	3.70	-61.38
CC1(C)CC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)N1	REAL300019958494	0	42	-1.0	-43.14	347.25	0.57	-42.57
CC1(C)CC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)N1	REAL300019958494	1	42	-1.0	-43.12	347.32	0.57	-42.55
CC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=C(Cl)C=C2)C=C1	REAL300019958495	0	45	-1.0	-47.87	392.18	8.72	-39.15
CC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=C(Cl)C=C2)C=C1	REAL300019958495	1	45	-1.0	-47.90	392.23	8.73	-39.17
COC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(O)=C1	REAL300019958496	0	36	-1.0	-47.98	317.17	1.28	-46.70
COC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(O)=C1	REAL300019958496	1	36	-1.0	-47.97	317.22	1.29	-46.68
COC(=O)C1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(O)=C1	REAL300019958497	0	39	-1.0	-51.93	341.51	4.21	-47.72
COC(=O)C1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(O)=C1	REAL300019958497	1	39	-1.0	-51.71	341.61	4.22	-47.49
COC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(O)=C1	REAL300019958498	0	36	-1.0	-37.45	328.57	1.07	-36.38
COC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(O)=C1	REAL300019958498	1	36	-1.0	-37.44	328.64	1.07	-36.37
CC(C)(C)OC(=O)N1CC2COCC(C1)C2NC(=O)CCCC1=N[N-]N=N1	REAL300019958499	0	54	-1.0	-50.66	408.00	4.62	-46.04
CC(C)(C)OC(=O)N1CC2COCC(C1)C2NC(=O)CCCC1=NN=N[N-]1	REAL300019958499	1	54	-1.0	-50.67	408.05	4.63	-46.04
CC(C)(C)OC(=O)N1CCC2CN(C(=O)CCCC3=N[N-]N=N3)C2C1	REAL300019958500	0	50	-1.0	-61.14	387.97	5.18	-55.96
CC(C)(C)OC(=O)N1CCC2CN(C(=O)CCCC3=NN=N[N-]3)C2C1	REAL300019958500	1	50	-1.0	-61.12	388.04	5.19	-55.93
CC(C)(C)OC(=O)N1CCC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2C1	REAL300019958501	0	53	-1.0	-72.10	408.36	7.66	-64.44
CC(C)(C)OC(=O)N1CCC2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2C1	REAL300019958501	1	53	-1.0	-71.86	408.47	7.68	-64.18
CC(C)(C)OC(=O)N1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2C1	REAL300019958502	0	50	-1.0	-47.17	395.93	5.09	-42.08
CC(C)(C)OC(=O)N1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2C1	REAL300019958502	1	50	-1.0	-47.13	396.01	5.11	-42.02
C=CCN(CC1=CC=CC(OC)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019958503	0	43	-1.0	-47.73	354.71	6.22	-41.51
C=CCN(CC1=CC=CC(OC)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019958503	1	43	-1.0	-47.78	354.77	6.24	-41.54
C=CCN(CC1=CC=CC(OC)=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958504	0	46	-1.0	-51.52	367.44	8.32	-43.20
C=CCN(CC1=CC=CC(OC)=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958504	1	46	-1.0	-51.39	367.48	8.33	-43.06
C=CCN(CC1=CC=CC(OC)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958505	0	43	-1.0	-37.55	365.95	7.05	-30.50
C=CCN(CC1=CC=CC(OC)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958505	1	43	-1.0	-37.58	366.02	7.05	-30.53
CC1=CC=CC(C)=C1NNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958506	0	40	-1.0	-52.04	330.03	7.65	-44.39
CC1=CC=CC(C)=C1NNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958506	1	40	-1.0	-51.93	330.48	7.66	-44.27
CC1=CC=CC(C)=C1NNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958507	0	37	-1.0	-35.32	316.19	4.57	-30.75
CC1=CC=CC(C)=C1NNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958507	1	37	-1.0	-35.28	316.25	4.58	-30.70
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019958508	0	44	0.0	-70.69	348.58	4.54	-66.15
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019958508	1	44	0.0	-70.67	348.52	4.52	-66.15
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958509	0	47	0.0	-72.02	370.38	7.13	-64.89
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019958509	1	47	0.0	-75.34	370.36	7.08	-68.26
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958510	0	44	0.0	-57.78	356.07	4.82	-52.96
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958510	1	44	0.0	-57.82	356.39	4.78	-53.04
CC1CCC(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958511	0	44	-1.0	-52.65	349.79	7.38	-45.27
CC1CCC(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958511	1	44	-1.0	-52.54	350.27	7.37	-45.17
CC1CCC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958512	0	41	-1.0	-34.77	336.03	4.26	-30.51
CC1CCC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958512	1	41	-1.0	-34.72	336.10	4.27	-30.45
CC1=CC=CC=C1C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019958513	0	45	-1.0	-47.80	384.96	8.57	-39.23
CC1=CC=CC=C1C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019958513	1	45	-1.0	-47.82	385.01	8.59	-39.23
CC1=CC=CC(C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=C(Cl)C=C2)=C1	REAL300019958514	0	45	-1.0	-48.13	392.13	8.69	-39.44
CC1=CC=CC(C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=C(Cl)C=C2)=C1	REAL300019958514	1	45	-1.0	-48.14	392.19	8.71	-39.43
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(CO)CC(CO)C1	REAL300019958515	0	40	-1.0	-40.31	323.21	-1.29	-41.60
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(CO)CC(CO)C1	REAL300019958515	1	40	-1.0	-40.30	323.27	-1.26	-41.56
CC1=CC=C2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2=C1	REAL300019958516	0	39	-1.0	-39.70	318.66	8.21	-31.49
CC1=CC=C2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2=C1	REAL300019958516	1	39	-1.0	-39.57	318.74	8.24	-31.33
CC1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=C1	REAL300019958517	0	36	-1.0	-36.26	310.37	5.81	-30.45
CC1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=C1	REAL300019958517	1	36	-1.0	-36.21	310.44	5.82	-30.39
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL300019958518	0	51	-1.0	-51.51	396.68	3.64	-47.87
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL300019958518	1	51	-1.0	-51.56	396.74	3.65	-47.91
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958519	0	54	-1.0	-61.07	413.77	5.82	-55.25
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958519	1	54	-1.0	-58.75	412.70	5.97	-52.78
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958520	0	51	-1.0	-41.18	402.48	4.30	-36.88
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958520	1	51	-1.0	-41.14	402.54	4.29	-36.85
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(NC(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300019958521	0	46	-1.0	-54.78	390.83	4.05	-50.73
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300019958521	1	46	-1.0	-54.79	390.88	4.06	-50.73
CC1=CC(Cl)=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300019958522	0	39	-1.0	-47.57	329.47	6.80	-40.77
CC1=CC(Cl)=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300019958522	1	39	-1.0	-47.54	329.52	6.81	-40.73
CC1=CC(Cl)=CC2=C1CN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)CC2	REAL300019958523	0	42	-1.0	-53.98	351.15	9.35	-44.63
CC1=CC(Cl)=CC2=C1CN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)CC2	REAL300019958523	1	42	-1.0	-53.76	351.23	9.36	-44.40
CC1=CC(Cl)=CC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300019958524	0	39	-1.0	-34.90	336.90	7.12	-27.78
CC1=CC(Cl)=CC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300019958524	1	39	-1.0	-34.86	336.97	7.12	-27.74
O=C(CCCC1=N[N-]N=N1)N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300019958525	0	43	-1.0	-48.21	359.89	6.55	-41.66
O=C(CCCC1=NN=N[N-]1)N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300019958525	1	43	-1.0	-48.19	359.95	6.56	-41.63
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300019958526	0	46	-1.0	-39.63	384.42	9.12	-30.51
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300019958526	1	46	-1.0	-39.44	384.48	9.14	-30.30
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300019958527	0	43	-1.0	-36.56	367.92	6.75	-29.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300019958527	1	43	-1.0	-36.52	367.99	6.75	-29.77
O=C(NCC1CCC2C(C1)C2(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958528	0	42	-1.0	-55.49	342.49	7.54	-47.95
O=C(NCC1CCC2C(C1)C2(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958528	1	42	-1.0	-55.29	342.59	7.54	-47.75
O=C(NCC1CCC2C(C1)C2(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958529	0	39	-1.0	-37.24	328.76	4.41	-32.83
O=C(NCC1CCC2C(C1)C2(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958529	1	39	-1.0	-37.18	328.83	4.42	-32.76
CC1CN2N=CC=C2CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958530	0	39	-1.0	-54.52	316.74	5.81	-48.71
CC1CN2N=CC=C2CN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958530	1	39	-1.0	-54.35	316.82	5.82	-48.53
CC1CN2N=CC=C2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958531	0	36	-1.0	-36.46	298.55	3.61	-32.85
CC1CN2N=CC=C2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958531	1	36	-1.0	-36.41	298.63	3.62	-32.79
CCC(NC(=O)CCCC1=N[N-]N=N1)C(C)C1=CC=CC(Br)=C1	REAL300019958532	0	44	-1.0	-45.94	369.55	6.75	-39.19
CCC(NC(=O)CCCC1=NN=N[N-]1)C(C)C1=CC=CC(Br)=C1	REAL300019958532	1	44	-1.0	-45.93	369.61	6.77	-39.16
O=C(CCCC1=N[N-]N=N1)N1CCCC(O)(C2=CC=CC=C2)CC1	REAL300019958533	0	46	-1.0	-48.66	349.74	5.71	-42.95
O=C(CCCC1=NN=N[N-]1)N1CCCC(O)(C2=CC=CC=C2)CC1	REAL300019958533	1	46	-1.0	-48.68	349.80	5.72	-42.96
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(O)(C2=CC=CC=C2)CC1	REAL300019958534	0	49	-1.0	-54.48	376.70	8.00	-46.48
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(O)(C2=CC=CC=C2)CC1	REAL300019958534	1	49	-1.0	-54.90	376.80	7.96	-46.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(O)(C2=CC=CC=C2)CC1	REAL300019958535	0	46	-1.0	-36.93	358.67	5.98	-30.95
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(O)(C2=CC=CC=C2)CC1	REAL300019958535	1	46	-1.0	-36.94	358.74	5.99	-30.95
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CCN1S(C)(=O)=O	REAL300019958536	0	43	-1.0	-51.91	339.24	1.44	-50.47
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CCN1S(C)(=O)=O	REAL300019958536	1	43	-1.0	-51.88	339.29	1.45	-50.43
CC1(C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCN1S(C)(=O)=O	REAL300019958537	0	46	-1.0	-53.09	362.94	4.02	-49.07
CC1(C)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCN1S(C)(=O)=O	REAL300019958537	1	46	-1.0	-55.64	362.73	4.01	-51.63
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCN1S(C)(=O)=O	REAL300019958538	0	43	-1.0	-41.32	346.29	1.61	-39.71
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCN1S(C)(=O)=O	REAL300019958538	1	43	-1.0	-41.29	346.35	1.61	-39.68
O=C(CCCC1=N[N-]N=N1)NCCCC(F)(F)C(F)(F)F	REAL300019958539	0	34	-1.0	-46.94	312.81	3.28	-43.66
O=C(CCCC1=NN=N[N-]1)NCCCC(F)(F)C(F)(F)F	REAL300019958539	1	34	-1.0	-46.94	312.87	3.29	-43.65
O=C(NCCCC(F)(F)C(F)(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958540	0	37	-1.0	-52.47	337.56	6.16	-46.31
O=C(NCCCC(F)(F)C(F)(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958540	1	37	-1.0	-52.22	337.62	6.18	-46.04
O=C(NCCCC(F)(F)C(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958541	0	34	-1.0	-36.50	323.40	3.07	-33.43
O=C(NCCCC(F)(F)C(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958541	1	34	-1.0	-36.47	323.47	3.08	-33.39
COC1=CC=CC=C1C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019958542	0	46	-1.0	-49.99	399.74	7.64	-42.35
COC1=CC=CC=C1C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019958542	1	46	-1.0	-50.01	399.79	7.65	-42.36
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=C(F)C=C(F)C=C1F	REAL300019958543	0	35	-1.0	-45.94	311.44	4.52	-41.42
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=C(F)C=C(F)C=C1F	REAL300019958543	1	35	-1.0	-45.95	311.50	4.54	-41.41
C[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=C(F)C=C(F)C=C1F	REAL300019958544	0	38	-1.0	-51.74	335.77	7.46	-44.28
C[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=C(F)C=C(F)C=C1F	REAL300019958544	1	38	-1.0	-51.54	336.26	7.44	-44.10
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=C(F)C=C(F)C=C1F	REAL300019958545	0	35	-1.0	-35.36	322.09	4.31	-31.05
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=C(F)C=C(F)C=C1F	REAL300019958545	1	35	-1.0	-35.36	322.15	4.33	-31.03
O=C(NC1=CC=C(CO)C=C1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958546	0	37	-1.0	-55.20	319.68	0.88	-54.32
O=C(NC1=CC=C(CO)C=C1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958546	1	37	-1.0	-54.95	319.78	0.88	-54.07
O=C(NC1=CC=C(CO)C=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958547	0	34	-1.0	-38.74	306.74	-2.27	-41.01
O=C(NC1=CC=C(CO)C=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958547	1	34	-1.0	-38.68	306.80	-2.26	-40.94
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)C(F)(F)F	REAL300019958548	0	30	-1.0	-35.09	289.31	1.36	-33.73
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)C(F)(F)F	REAL300019958548	1	30	-1.0	-35.07	289.38	1.37	-33.70
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=NN=N2)C(F)=C1	REAL300019958549	0	34	-1.0	-62.98	305.72	3.63	-59.35
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=NN=N2)C(F)=C1	REAL300019958549	1	34	-1.0	-62.98	305.67	3.62	-59.36
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958550	0	37	-1.0	-70.00	330.68	6.47	-63.53
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958550	1	37	-1.0	-69.77	330.73	6.50	-63.27
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958551	0	34	-1.0	-37.79	315.59	3.25	-34.54
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958551	1	34	-1.0	-37.82	315.53	3.25	-34.57
CN1N=C(CO)C=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958552	0	36	-1.0	-59.89	310.09	2.27	-57.62
CN1N=C(CO)C=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958552	1	36	-1.0	-59.71	310.58	2.24	-57.47
CN1N=C(CO)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958553	0	33	-1.0	-39.96	296.36	-0.88	-40.84
CN1N=C(CO)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958553	1	33	-1.0	-39.91	296.43	-0.87	-40.78
COC1(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=N2)CCOCC1	REAL300019958554	0	46	-1.0	-48.21	367.17	2.05	-46.16
COC1(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=N2)CCOCC1	REAL300019958554	1	46	-1.0	-48.22	367.11	2.04	-46.18
COC1(C2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=N2)CCOCC1	REAL300019958555	0	49	-1.0	-53.47	392.23	4.93	-48.54
COC1(C2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C=N2)CCOCC1	REAL300019958555	1	49	-1.0	-53.31	392.27	4.95	-48.36
COC1(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=N2)CCOCC1	REAL300019958556	0	46	-1.0	-35.90	377.82	1.85	-34.05
COC1(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=N2)CCOCC1	REAL300019958556	1	46	-1.0	-35.96	377.76	1.84	-34.12
CC(C)(C)OC(=O)C1CC2(C1)SCCN2C(=O)CCCC1=N[N-]N=N1	REAL300019958557	0	49	-1.0	-48.19	390.10	6.76	-41.43
CC(C)(C)OC(=O)C1CC2(C1)SCCN2C(=O)CCCC1=NN=N[N-]1	REAL300019958557	1	49	-1.0	-48.20	390.15	6.77	-41.43
CCOC(=O)[C@@H]1CCC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019958558	0	44	-1.0	-48.15	357.94	4.72	-43.43
CCOC(=O)[C@@H]1CCC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019958558	1	44	-1.0	-48.16	357.99	4.73	-43.43
CCOC(=O)[C@@H]1CCC[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958559	0	47	-1.0	-53.54	382.69	7.62	-45.92
CCOC(=O)[C@@H]1CCC[C@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958559	1	47	-1.0	-53.45	382.37	7.66	-45.79
CCOC(=O)[C@@H]1CCC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958560	0	44	-1.0	-38.35	368.53	4.51	-33.84
CCOC(=O)[C@@H]1CCC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958560	1	44	-1.0	-38.32	368.60	4.54	-33.78
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC=C(Cl)C(Br)=C2C1	REAL300019958561	0	36	-1.0	-45.91	328.72	6.70	-39.21
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC=C(Cl)C(Br)=C2C1	REAL300019958561	1	36	-1.0	-45.95	328.78	6.72	-39.23
CC(F)(F)C1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019958562	0	38	-1.0	-50.77	321.17	5.35	-45.42
CC(F)(F)C1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019958562	1	38	-1.0	-50.78	321.23	5.36	-45.42
CC(F)(F)C1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958563	0	41	-1.0	-58.06	345.59	8.26	-49.80
CC(F)(F)C1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958563	1	41	-1.0	-57.87	345.68	8.26	-49.61
CC(F)(F)C1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958564	0	38	-1.0	-39.98	331.81	5.15	-34.83
CC(F)(F)C1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958564	1	38	-1.0	-39.96	331.88	5.15	-34.81
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=C(F)C=C(F)C=C1F	REAL300019958565	0	35	-1.0	-45.92	311.54	4.53	-41.39
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=C(F)C=C(F)C=C1F	REAL300019958565	1	35	-1.0	-45.90	311.59	4.54	-41.36
C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=C(F)C=C(F)C=C1F	REAL300019958566	0	38	-1.0	-51.75	335.90	7.44	-44.31
C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=C(F)C=C(F)C=C1F	REAL300019958566	1	38	-1.0	-51.56	336.01	7.46	-44.10
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=C(F)C=C(F)C=C1F	REAL300019958567	0	35	-1.0	-35.39	322.12	4.32	-31.07
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=C(F)C=C(F)C=C1F	REAL300019958567	1	35	-1.0	-35.38	322.19	4.33	-31.05
COC(=O)C(CC1=CC=CC=C1)ONC(=O)CCCC1=N[N-]N=N1	REAL300019958568	0	42	-1.0	-56.26	368.57	6.55	-49.71
COC(=O)C(CC1=CC=CC=C1)ONC(=O)CCCC1=NN=N[N-]1	REAL300019958568	1	42	-1.0	-56.31	368.63	6.57	-49.74
COC(=O)C(CC1=CC=CC=C1)O[N-]C(=O)CCCC1=N[N-]N=N1	REAL300019958568	1	41	-2.0	-107.15	365.41	5.99	-101.16
COC(=O)C(CC1=CC=CC=C1)ONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958569	0	45	-1.0	-63.26	392.92	9.48	-53.78
COC(=O)C(CC1=CC=CC=C1)ONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958569	1	45	-1.0	-62.53	393.39	9.47	-53.06
COC(=O)C(CC1=CC=CC=C1)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958570	0	42	-1.0	-41.95	378.88	6.34	-35.61
COC(=O)C(CC1=CC=CC=C1)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958570	1	42	-1.0	-41.88	378.95	6.35	-35.53
CC(NC(=O)CCCC1=N[N-]N=N1)C1(O)CCN(C(=O)OC(C)(C)C)CC1	REAL300019958571	0	56	-1.0	-51.38	424.31	2.51	-48.87
CC(NC(=O)CCCC1=NN=N[N-]1)C1(O)CCN(C(=O)OC(C)(C)C)CC1	REAL300019958571	1	56	-1.0	-51.39	424.37	2.53	-48.86
O=C(NCCC[N@@H+]1CCCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958572	0	48	0.0	-77.32	369.44	5.68	-71.64
O=C(NCCC[N@H+]1CCCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958572	1	48	0.0	-80.51	366.84	5.47	-75.04
O=C(NCCC[N@@H+]1CCCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958573	0	45	0.0	-61.48	355.71	2.55	-58.93
O=C(NCCC[N@H+]1CCCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958573	1	45	0.0	-63.88	352.99	2.38	-61.50
O=C(NCCC[N@@H+]1CCCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958573	1	45	0.0	-61.42	355.78	2.55	-58.87
O=C(NCCC[N@H+]1CCCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958573	1	45	0.0	-63.90	353.05	2.38	-61.52
O=C(N[C@H]1C[C@@H](CN2C=CC=N2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958574	0	42	-1.0	-60.93	354.07	6.38	-54.55
O=C(N[C@H]1C[C@@H](CN2C=CC=N2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958574	1	42	-1.0	-61.34	353.73	6.43	-54.91
O=C(N[C@H]1C[C@@H](CN2C=CC=N2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958575	0	39	-1.0	-39.91	339.65	3.31	-36.60
O=C(N[C@H]1C[C@@H](CN2C=CC=N2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958575	1	39	-1.0	-39.96	339.58	3.29	-36.67
O=C(NC1CC(CN2C=CN=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958576	0	42	-1.0	-58.80	353.44	8.04	-50.76
O=C(NC1CC(CN2C=CN=C2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958576	1	42	-1.0	-58.52	353.50	8.06	-50.46
O=C(NC1CC(CN2C=CN=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958577	0	39	-1.0	-41.01	339.34	4.90	-36.11
O=C(NC1CC(CN2C=CN=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958577	1	39	-1.0	-40.94	339.40	4.90	-36.04
O=C(NC1CC(CN2C=CC=N2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958578	0	42	-1.0	-60.66	353.27	6.44	-54.22
O=C(NC1CC(CN2C=CC=N2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958578	1	42	-1.0	-60.43	353.37	6.44	-53.99
O=C(NC1CC(CN2C=CC=N2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958579	0	39	-1.0	-41.10	339.92	3.30	-37.80
O=C(NC1CC(CN2C=CC=N2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958579	1	39	-1.0	-41.10	339.85	3.28	-37.82
O=C(NC1CC(CN2C=CN=N2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958580	0	41	-1.0	-59.88	347.40	5.19	-54.69
O=C(NC1CC(CN2C=CN=N2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958580	1	41	-1.0	-59.69	347.47	5.22	-54.47
O=C(NC1CC(CN2C=CN=N2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958581	0	38	-1.0	-43.52	333.55	2.06	-41.46
O=C(NC1CC(CN2C=CN=N2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958581	1	38	-1.0	-43.59	333.48	2.05	-41.54
O=C(NC1CN(C2=NCCS2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958582	0	39	-1.0	-52.33	342.02	3.99	-48.34
O=C(NC1CN(C2=NCCS2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958582	1	39	-1.0	-51.70	342.49	3.98	-47.72
O=C(NC1CN(C2=NCCS2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958583	0	36	-1.0	-38.32	328.24	0.88	-37.44
O=C(NC1CN(C2=NCCS2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958583	1	36	-1.0	-38.31	328.31	0.88	-37.43
O=C(NC1CC(C2=NC=CN2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958584	0	39	-1.0	-55.17	328.27	5.23	-49.94
O=C(NC1CC(C2=NC=CN2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958584	1	39	-1.0	-54.93	328.33	5.25	-49.68
O=C(NC1CC(C2=NC=CN2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958585	0	36	-1.0	-39.03	314.26	2.08	-36.95
O=C(NC1CC(C2=NC=CN2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958585	1	36	-1.0	-39.03	314.32	2.09	-36.94
O=C(N[C@H]1C[C@H](CN2C=CC=N2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958586	0	42	-1.0	-58.70	353.47	6.47	-52.23
O=C(N[C@H]1C[C@H](CN2C=CC=N2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958586	1	42	-1.0	-59.38	353.94	6.46	-52.92
O=C(N[C@H]1C[C@H](CN2C=CC=N2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958587	0	39	-1.0	-41.48	339.78	3.36	-38.12
O=C(N[C@H]1C[C@H](CN2C=CC=N2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958587	1	39	-1.0	-41.51	339.72	3.35	-38.16
O=C(N[C@H]1C[C@H](CN2C=NC=N2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958588	0	41	-1.0	-58.93	347.98	7.91	-51.02
O=C(N[C@H]1C[C@H](CN2C=NC=N2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958588	1	41	-1.0	-58.36	348.46	7.90	-50.46
O=C(N[C@H]1C[C@H](CN2C=NC=N2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958589	0	38	-1.0	-43.70	334.53	4.79	-38.91
O=C(N[C@H]1C[C@H](CN2C=NC=N2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958589	1	38	-1.0	-43.73	334.47	4.79	-38.94
O=C(N[C@H]1C[C@H](CN2C=CN=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958590	0	39	-1.0	-42.32	339.25	4.96	-37.36
O=C(N[C@H]1C[C@H](CN2C=CN=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958590	1	39	-1.0	-42.28	339.31	4.96	-37.32
O=C(CCCC1=N[N-]N=N1)N1C[C@@H](O)[C@H](N2CCC3=CC=CC=C3C2)C1	REAL300019958591	0	49	-1.0	-49.35	378.61	2.10	-47.25
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](O)[C@H]([N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300019958591	1	50	0.0	-69.79	388.71	4.71	-65.08
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](O)[C@H]([N@H+]2CCC3=CC=CC=C3C2)C1	REAL300019958591	1	50	0.0	-72.23	388.89	4.76	-67.47
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](O)[C@H](N2CCC3=CC=CC=C3C2)C1	REAL300019958591	1	49	-1.0	-49.41	378.67	2.12	-47.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H](O)[C@H](N2CCC3=CC=CC=C3C2)C1	REAL300019958592	0	49	-1.0	-38.71	387.25	2.18	-36.53
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)[C@H](N2CCC3=CC=CC=C3C2)C1	REAL300019958592	1	49	-1.0	-38.70	387.32	2.19	-36.51
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)[C@H]([N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300019958592	1	50	0.0	-55.96	395.56	4.89	-51.07
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)[C@H]([N@H+]2CCC3=CC=CC=C3C2)C1	REAL300019958592	1	50	0.0	-59.85	395.11	5.01	-54.84
CC(C)(O)C1=NNC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019958593	0	41	-1.0	-52.37	352.27	1.13	-51.24
CC(C)(O)C1=NNC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL300019958593	1	41	-1.0	-52.22	352.37	1.15	-51.07
CC(C)(O)C1=NNC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019958594	0	38	-1.0	-38.72	338.49	-1.99	-40.71
CC(C)(O)C1=NNC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019958594	1	38	-1.0	-38.68	338.55	-1.99	-40.67
O=C(CCCC1=N[N-]N=N1)NC1CCCCCCC1(F)F	REAL300019958595	0	41	-1.0	-44.94	310.49	4.24	-40.70
O=C(CCCC1=NN=N[N-]1)NC1CCCCCCC1(F)F	REAL300019958595	1	41	-1.0	-44.97	310.54	4.26	-40.71
O=C(NC1CCCCCCC1(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958596	0	44	-1.0	-51.97	337.12	7.21	-44.76
O=C(NC1CCCCCCC1(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958596	1	44	-1.0	-51.77	337.22	7.23	-44.54
O=C(NC1CCCCCCC1(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958597	0	41	-1.0	-36.50	323.34	4.09	-32.41
O=C(NC1CCCCCCC1(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958597	1	41	-1.0	-36.47	323.40	4.09	-32.38
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOC(C2=NNC=C2)C1	REAL300019958598	0	40	-1.0	-57.21	331.13	3.87	-53.34
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOC(C2=NNC=C2)C1	REAL300019958598	1	40	-1.0	-56.98	331.22	3.88	-53.10
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(C2=NNC=C2)C1	REAL300019958599	0	37	-1.0	-39.95	316.43	1.55	-38.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(C2=NNC=C2)C1	REAL300019958599	1	37	-1.0	-39.88	316.53	1.58	-38.30
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(CC(F)F)C1	REAL300019958600	0	41	-1.0	-54.94	329.70	7.53	-47.41
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(CC(F)F)C1	REAL300019958600	1	41	-1.0	-55.89	329.52	7.63	-48.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(CC(F)F)C1	REAL300019958601	0	38	-1.0	-37.05	316.21	5.35	-31.70
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(CC(F)F)C1	REAL300019958601	1	38	-1.0	-37.06	316.28	5.36	-31.70
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300019958602	0	47	-1.0	-49.70	364.23	5.16	-44.54
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300019958602	1	47	-1.0	-49.74	364.29	5.18	-44.56
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300019958603	0	47	-1.0	-39.40	372.36	5.35	-34.05
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300019958603	1	47	-1.0	-39.38	372.43	5.37	-34.01
CN1N=C([C@@H]2CCCN2C(=O)CCCC2=N[N-]N=N2)N=C1N	REAL300019958604	0	40	-1.0	-57.21	333.54	4.06	-53.15
CN1N=C([C@@H]2CCCN2C(=O)CCCC2=NN=N[N-]2)N=C1N	REAL300019958604	1	40	-1.0	-57.17	333.60	4.07	-53.10
CN1N=C([C@@H]2CCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N=C1N	REAL300019958605	0	43	-1.0	-63.89	354.56	6.56	-57.33
CN1N=C([C@@H]2CCCN2C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N=C1N	REAL300019958605	1	43	-1.0	-64.35	355.27	6.58	-57.77
CN1N=C([C@@H]2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1N	REAL300019958606	0	40	-1.0	-44.89	340.79	4.33	-40.56
CN1N=C([C@@H]2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1N	REAL300019958606	1	40	-1.0	-44.81	340.86	4.33	-40.48
O=C(CCCC1=N[N-]N=N1)NCCCCN1C(=O)OC2=CC=CC=C21	REAL300019958607	0	44	-1.0	-57.23	376.67	5.31	-51.92
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O=C(NCCCCN1C(=O)OC2=CC=CC=C21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958608	0	47	-1.0	-63.15	401.02	8.23	-54.92
O=C(NCCCCN1C(=O)OC2=CC=CC=C21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958608	1	47	-1.0	-63.75	401.49	8.21	-55.54
O=C(NCCCCN1C(=O)OC2=CC=CC=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958609	0	44	-1.0	-44.72	387.27	5.10	-39.62
O=C(NCCCCN1C(=O)OC2=CC=CC=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958609	1	44	-1.0	-44.68	387.33	5.12	-39.56
COC(=O)C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300019958610	0	45	-1.0	-57.95	392.39	5.45	-52.50
COC(=O)C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300019958610	1	45	-1.0	-57.96	392.45	5.47	-52.49
COC(=O)C(CC1=CNC2=CC=C(OC)C=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300019958611	0	49	-1.0	-53.70	411.27	4.83	-48.87
COC(=O)C(CC1=CNC2=CC=C(OC)C=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300019958611	1	49	-1.0	-53.77	411.32	4.84	-48.93
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C2=NSN=C2C=C1	REAL300019958612	0	33	-1.0	-52.04	300.78	2.60	-49.44
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C2=NSN=C2C=C1	REAL300019958612	1	33	-1.0	-52.06	300.84	2.61	-49.45
CC1=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C2=NSN=C2C=C1	REAL300019958613	0	36	-1.0	-61.37	318.40	5.79	-55.58
CC1=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C2=NSN=C2C=C1	REAL300019958613	1	36	-1.0	-61.21	318.49	5.81	-55.40
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=NSN=C2C=C1	REAL300019958614	0	33	-1.0	-41.47	311.27	2.38	-39.09
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=NSN=C2C=C1	REAL300019958614	1	33	-1.0	-41.23	312.29	2.52	-38.71
CC(C)(C)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCO1	REAL300019958615	0	48	-1.0	-54.10	359.77	6.35	-47.75
CC(C)(C)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCCO1	REAL300019958615	1	48	-1.0	-54.33	359.60	6.35	-47.98
CC(C)(C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL300019958616	0	45	-1.0	-35.72	345.71	3.24	-32.48
CC(C)(C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL300019958616	1	45	-1.0	-35.71	345.78	3.24	-32.47
C#CC1=CC=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019958617	0	33	-1.0	-65.59	301.00	7.03	-58.56
C#CC1=CC=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL300019958617	1	33	-1.0	-65.05	301.28	7.07	-57.98
CN(CC1=NC=CN1CC(F)F)C(=O)CCCC1=N[N-]N=N1	REAL300019958618	0	38	-1.0	-57.98	324.15	4.84	-53.14
CN(CC1=NC=CN1CC(F)F)C(=O)CCCC1=NN=N[N-]1	REAL300019958618	1	38	-1.0	-58.03	324.21	4.86	-53.17
CN(CC1=NC=CN1CC(F)F)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958619	0	41	-1.0	-63.25	348.70	7.48	-55.77
CN(CC1=NC=CN1CC(F)F)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958619	1	41	-1.0	-63.11	348.78	7.50	-55.61
CN(CC1=NC=CN1CC(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958620	0	38	-1.0	-43.38	335.00	5.39	-37.99
CN(CC1=NC=CN1CC(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958620	1	38	-1.0	-43.38	335.07	5.40	-37.98
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O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300019958627	1	43	-1.0	-50.66	366.05	4.10	-46.56
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300019958628	0	43	-1.0	-50.84	366.16	4.10	-46.74
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300019958628	1	43	-1.0	-50.85	366.21	4.12	-46.73
CCC(C(=O)OC)N(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958629	0	43	-1.0	-40.50	339.13	7.35	-33.15
CCC(C(=O)OC)N(CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958629	1	43	-1.0	-40.28	339.20	7.35	-32.93
CCC(C(=O)OC)N(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958630	0	40	-1.0	-37.73	326.32	5.70	-32.03
CCC(C(=O)OC)N(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958630	1	40	-1.0	-37.76	326.39	5.70	-32.06
CC1=CC(CC2(NC(=O)CCCC3=N[N-]N=N3)CC2)=CC=C1F	REAL300019958631	0	42	-1.0	-47.15	358.43	6.38	-40.77
CC1=CC(CC2(NC(=O)CCCC3=NN=N[N-]3)CC2)=CC=C1F	REAL300019958631	1	42	-1.0	-47.20	358.49	6.39	-40.81
CC1=CC(CC2(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)=CC=C1F	REAL300019958632	0	45	-1.0	-53.36	372.64	8.75	-44.61
CC1=CC(CC2(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)=CC=C1F	REAL300019958632	1	45	-1.0	-53.18	372.72	8.77	-44.41
CC1=CC(CC2(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=CC=C1F	REAL300019958633	0	42	-1.0	-38.25	368.40	6.26	-31.99
CC1=CC(CC2(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=CC=C1F	REAL300019958633	1	42	-1.0	-38.24	368.47	6.28	-31.96
CCCCC1(O)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019958634	0	48	-1.0	-47.25	364.26	3.36	-43.89
CCCCC1(O)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019958634	1	48	-1.0	-47.27	364.32	3.38	-43.89
CCCCC1(O)CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958635	0	51	-1.0	-53.67	389.01	6.26	-47.41
CCCCC1(O)CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019958635	1	51	-1.0	-53.51	389.09	6.29	-47.22
CCCCC1(O)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958636	0	48	-1.0	-35.46	374.86	3.16	-32.30
CCCCC1(O)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958636	1	48	-1.0	-35.41	374.92	3.18	-32.23
C#CC1=CN=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019958637	0	33	-1.0	-55.70	300.20	5.64	-50.06
C#CC1=CN=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019958637	1	33	-1.0	-55.47	300.24	5.66	-49.81
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O=C(CCCC1=N[N-]N=N1)N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300019958640	0	46	-1.0	-49.98	359.62	8.00	-41.98
O=C(CCCC1=NN=N[N-]1)N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300019958640	1	46	-1.0	-49.99	359.67	8.01	-41.98
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CC(C)C1=CC=C2OCC[C@@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300019958643	0	46	-1.0	-46.01	369.22	5.57	-40.44
CC(C)C1=CC=C2OCC[C@@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300019958643	1	46	-1.0	-46.00	369.28	5.59	-40.41
CC(C)C1=CC=C2OCC[C@@H](NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2=C1	REAL300019958644	0	49	-1.0	-51.36	393.98	8.45	-42.91
CC(C)C1=CC=C2OCC[C@@H](NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2=C1	REAL300019958644	1	49	-1.0	-51.21	394.04	8.48	-42.73
CC(C)C1=CC=C2OCC[C@@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300019958645	0	46	-1.0	-35.89	379.81	5.36	-30.53
CC(C)C1=CC=C2OCC[C@@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300019958645	1	46	-1.0	-35.82	379.88	5.37	-30.45
CC(C)C1=CC=C2OCC[C@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300019958646	0	46	-1.0	-45.98	369.22	5.57	-40.41
CC(C)C1=CC=C2OCC[C@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300019958646	1	46	-1.0	-45.99	369.28	5.59	-40.40
CC(C)C1=CC=C2OCC[C@H](NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2=C1	REAL300019958647	0	49	-1.0	-51.26	393.97	8.46	-42.80
CC(C)C1=CC=C2OCC[C@H](NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2=C1	REAL300019958647	1	49	-1.0	-51.16	393.64	8.51	-42.65
CC(C)C1=CC=C2OCC[C@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300019958648	0	46	-1.0	-35.90	379.84	5.35	-30.55
CC(C)C1=CC=C2OCC[C@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300019958648	1	46	-1.0	-35.84	379.91	5.38	-30.46
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O=C(NC1=CN(C2CCOC2)N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958655	1	39	-1.0	-49.49	327.65	3.79	-45.70
O=C(NC1=CN(C2CCOC2)N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958656	0	36	-1.0	-37.06	313.49	0.70	-36.36
O=C(NC1=CN(C2CCOC2)N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958656	1	36	-1.0	-37.10	313.42	0.68	-36.42
CC1CN(S(C)(=O)=O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019958657	0	40	-1.0	-52.64	325.77	0.71	-51.93
CC1CN(S(C)(=O)=O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019958657	1	40	-1.0	-52.64	325.83	0.72	-51.92
CC1CN(S(C)(=O)=O)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958658	0	43	-1.0	-56.30	348.14	3.17	-53.13
CC1CN(S(C)(=O)=O)CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958658	1	43	-1.0	-56.12	348.23	3.19	-52.93
CC1CN(S(C)(=O)=O)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958659	0	40	-1.0	-41.76	333.89	0.90	-40.86
CC1CN(S(C)(=O)=O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958659	1	40	-1.0	-41.75	333.95	0.91	-40.84
CN1N=C(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)N=C1N	REAL300019958660	0	43	-1.0	-55.57	348.99	4.84	-50.73
CN1N=C(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)N=C1N	REAL300019958660	1	43	-1.0	-55.61	349.05	4.86	-50.75
CN1N=C(C2CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)N=C1N	REAL300019958661	0	46	-1.0	-45.11	371.78	7.34	-37.77
CN1N=C(C2CCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)N=C1N	REAL300019958661	1	46	-1.0	-45.03	371.74	7.34	-37.69
CN1N=C(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)N=C1N	REAL300019958662	0	43	-1.0	-43.06	357.12	5.04	-38.02
CN1N=C(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)N=C1N	REAL300019958662	1	43	-1.0	-43.03	357.19	5.06	-37.97
CC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)NC(=O)NC1=O	REAL300019958663	0	37	-1.0	-53.13	320.72	-0.51	-53.64
CC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)NC(=O)NC1=O	REAL300019958663	1	37	-1.0	-52.97	320.82	-0.51	-53.48
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NC(=O)NC1=O	REAL300019958664	0	34	-1.0	-39.49	307.02	-3.52	-43.01
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NC(=O)NC1=O	REAL300019958664	1	34	-1.0	-39.47	307.09	-3.51	-42.98
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(=O)C2(CCC2)C1	REAL300019958665	0	41	-1.0	-49.65	328.51	7.09	-42.56
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(=O)C2(CCC2)C1	REAL300019958665	1	41	-1.0	-49.49	328.60	7.10	-42.39
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(=O)C2(CCC2)C1	REAL300019958666	0	38	-1.0	-35.18	312.46	4.72	-30.46
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(=O)C2(CCC2)C1	REAL300019958666	1	38	-1.0	-35.09	312.53	4.72	-30.37
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1COC2CCCCC2C1	REAL300019958667	0	43	-1.0	-38.12	332.51	5.79	-32.33
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1COC2CCCCC2C1	REAL300019958667	1	43	-1.0	-37.98	332.59	5.82	-32.16
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1COC2CCCCC2C1	REAL300019958668	0	40	-1.0	-35.01	317.52	3.52	-31.49
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1COC2CCCCC2C1	REAL300019958668	1	40	-1.0	-35.01	317.59	3.55	-31.46
CN1CCOCC12COCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300019958669	0	43	-1.0	-49.67	317.51	-0.09	-49.76
CN1CCOCC12COCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300019958669	1	43	-1.0	-49.66	317.57	-0.07	-49.73
CN1CCOCC12COCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019958670	0	46	-1.0	-57.17	340.02	2.45	-54.72
CN1CCOCC12COCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019958670	1	46	-1.0	-56.10	340.21	2.49	-53.61
CN1CCOCC12COCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019958671	0	43	-1.0	-36.47	325.34	0.18	-36.29
CN1CCOCC12COCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019958671	1	43	-1.0	-36.45	325.41	0.18	-36.27
CC1=NN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C(N)=N1	REAL300019958672	0	43	-1.0	-54.73	348.66	5.36	-49.37
CC1=NN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C(N)=N1	REAL300019958672	1	43	-1.0	-54.68	348.72	5.37	-49.31
CC1=NN(C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C(N)=N1	REAL300019958673	0	46	-1.0	-62.98	372.00	7.94	-55.04
CC1=NN(C2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)C(N)=N1	REAL300019958673	1	46	-1.0	-63.14	372.00	7.90	-55.24
CC1=NN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C(N)=N1	REAL300019958674	0	43	-1.0	-42.31	356.34	5.61	-36.70
CC1=NN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C(N)=N1	REAL300019958674	1	43	-1.0	-42.29	356.41	5.61	-36.68
CC(C1=CC=CC=C1)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019958675	0	45	-1.0	-49.83	360.99	7.60	-42.23
CC(C1=CC=CC=C1)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019958675	1	45	-1.0	-49.82	361.05	7.61	-42.21
CC(C1=CC=CC=C1)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019958676	0	48	-1.0	-58.75	378.60	9.96	-48.79
CC(C1=CC=CC=C1)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019958676	1	48	-1.0	-57.75	379.24	9.99	-47.76
CC(C1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019958677	0	45	-1.0	-37.55	367.36	7.74	-29.81
CC(C1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019958677	1	45	-1.0	-37.51	367.42	7.74	-29.77
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NNC3=C2COCC3)C=C1	REAL300019958678	0	44	-1.0	-52.69	363.21	3.20	-49.49
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NNC3=C2COCC3)C=C1	REAL300019958678	1	44	-1.0	-52.68	363.26	3.21	-49.47
O=C(NC1=CC=C(C2=NNC3=C2COCC3)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958679	0	44	-1.0	-40.30	373.79	2.99	-37.31
O=C(NC1=CC=C(C2=NNC3=C2COCC3)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958679	1	44	-1.0	-40.24	373.85	3.00	-37.24
COC(=O)[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1CC1=CC=CC=C1	REAL300019958680	0	48	-1.0	-49.70	395.16	7.63	-42.07
COC(=O)[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1CC1=CC=CC=C1	REAL300019958680	1	48	-1.0	-49.72	395.22	7.64	-42.08
COC(=O)[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1CC1=CC=CC=C1	REAL300019958681	0	48	-1.0	-37.78	400.45	7.84	-29.94
COC(=O)[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1CC1=CC=CC=C1	REAL300019958681	1	48	-1.0	-37.69	400.52	7.84	-29.85
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(NC2CCCC2)N=C1	REAL300019958682	0	43	-1.0	-48.00	347.96	4.15	-43.85
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC2CCCC2)N=C1	REAL300019958682	1	43	-1.0	-48.08	348.02	4.16	-43.92
O=C(NC1=CC=C(NC2CCCC2)N=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958683	0	46	-1.0	-53.44	372.96	7.03	-46.41
O=C(NC1=CC=C(NC2CCCC2)N=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958683	1	46	-1.0	-53.57	373.39	6.97	-46.60
O=C(NC1=CC=C(NC2CCCC2)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958684	0	43	-1.0	-36.07	358.53	3.94	-32.13
O=C(NC1=CC=C(NC2CCCC2)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958684	1	43	-1.0	-36.07	358.60	3.95	-32.12
O=C(NC1=CN2C=CC=CC2=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958685	0	35	-1.0	-55.48	303.88	7.68	-47.80
O=C(NC1=CN2C=CC=CC2=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958685	1	35	-1.0	-55.27	303.95	7.71	-47.56
O=C(NC1=CN2C=CC=CC2=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958686	0	32	-1.0	-41.64	289.78	4.62	-37.02
O=C(NC1=CN2C=CC=CC2=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958686	1	32	-1.0	-41.63	289.72	4.59	-37.04
CCOC1=CN=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019958687	0	37	-1.0	-56.60	322.54	3.75	-52.85
CCOC1=CN=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL300019958687	1	37	-1.0	-56.37	322.64	3.78	-52.59
CCOC1=CN=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019958688	0	34	-1.0	-37.41	308.82	0.64	-36.77
CCOC1=CN=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019958688	1	34	-1.0	-37.41	308.75	0.63	-36.78
CC(C)OC1=CN=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019958689	0	40	-1.0	-55.76	342.67	4.68	-51.08
CC(C)OC1=CN=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL300019958689	1	40	-1.0	-55.58	342.76	4.69	-50.89
CC(C)OC1=CN=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019958690	0	37	-1.0	-37.22	328.75	1.56	-35.66
CC(C)OC1=CN=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019958690	1	37	-1.0	-37.27	328.68	1.56	-35.71
NC(=O)C1=NN=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)S1	REAL300019958691	0	31	-1.0	-58.73	297.25	0.46	-58.27
NC(=O)C1=NN=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)S1	REAL300019958691	1	31	-1.0	-58.58	297.35	0.46	-58.12
NC(=O)C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019958692	0	27	-2.0	-83.34	281.10	-3.88	-87.22
NC(=O)C1=NN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019958692	1	28	-1.0	-39.08	283.52	-2.68	-41.76
NC(=O)C1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019958692	1	27	-2.0	-83.27	281.17	-3.88	-87.15
O=C(NC1=C2N=CC=CC2=NN1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958693	0	34	-1.0	-53.23	298.62	4.30	-48.93
O=C(NC1=C2N=CC=CC2=NN1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958693	1	34	-1.0	-53.03	298.72	4.32	-48.71
O=C(NC1=C2NC=CC=C2N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958693	1	34	-1.0	-90.10	300.67	4.51	-85.59
O=C(NC1=C2NC=CC=C2N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958693	1	34	-1.0	-89.90	300.77	4.53	-85.37
O=C(NC1=C2NC=CC=C2N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958694	0	31	-1.0	-61.83	286.88	1.40	-60.43
O=C(NC1=C2N=CC=CC2=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958694	1	31	-1.0	-38.24	284.83	1.17	-37.07
O=C(NC1=C2NC=CC=C2N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958694	1	31	-1.0	-61.83	286.94	1.42	-60.41
O=C(NC1=C2N=CC=CC2=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958694	1	31	-1.0	-38.21	284.90	1.19	-37.02
O=C(NC1=CC(Cl)=NC=C1CO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958695	0	35	-1.0	-56.23	317.34	2.51	-53.72
O=C(NC1=CC(Cl)=NC=C1CO)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958695	1	35	-1.0	-56.06	317.44	2.53	-53.53
O=C(NC1=CC(Cl)=NC=C1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958696	0	32	-1.0	-36.51	303.64	-0.60	-37.11
O=C(NC1=CC(Cl)=NC=C1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958696	1	32	-1.0	-36.54	303.57	-0.60	-37.14
C=CCNC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1O	REAL300019958697	0	41	-1.0	-58.30	352.47	1.59	-56.71
C=CCNC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1O	REAL300019958697	1	41	-1.0	-58.30	352.53	1.61	-56.69
C=CCNC(=O)C1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1O	REAL300019958698	0	44	-1.0	-64.58	376.86	4.49	-60.09
C=CCNC(=O)C1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1O	REAL300019958698	1	44	-1.0	-64.32	376.96	4.52	-59.80
C=CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1O	REAL300019958699	0	41	-1.0	-43.22	363.04	1.40	-41.82
C=CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1O	REAL300019958699	1	41	-1.0	-43.18	363.11	1.40	-41.78
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)CCCC3=N[N-]N=N3)C2)C1	REAL300019958700	0	50	-1.0	-55.07	402.09	4.01	-51.06
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)CCCC3=NN=N[N-]3)C2)C1	REAL300019958700	1	50	-1.0	-55.07	402.14	4.03	-51.04
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)C1	REAL300019958701	0	53	-1.0	-61.59	426.46	6.93	-54.66
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)C1	REAL300019958701	1	53	-1.0	-61.43	426.56	6.95	-54.48
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300019958702	0	50	-1.0	-41.92	412.65	3.82	-38.10
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300019958702	1	50	-1.0	-41.92	412.72	3.82	-38.10
CC(C)COC1=CN=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL300019958703	0	40	-1.0	-50.99	339.83	2.35	-48.64
CC(C)COC1=CN=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL300019958703	1	40	-1.0	-50.97	339.77	2.34	-48.63
CC(C)COC1=CN=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019958704	0	43	-1.0	-56.98	364.15	5.23	-51.75
CC(C)COC1=CN=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL300019958704	1	43	-1.0	-56.74	364.25	5.26	-51.48
CC(C)COC1=CN=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019958705	0	40	-1.0	-37.28	350.42	2.13	-35.15
CC(C)COC1=CN=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019958705	1	40	-1.0	-37.32	350.35	2.13	-35.19
CCN1N=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C(F)(F)F	REAL300019958706	0	35	-1.0	-45.69	307.73	2.79	-42.90
CCN1N=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C(F)(F)F	REAL300019958706	1	35	-1.0	-45.66	307.67	2.78	-42.88
CCN1N=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1C(F)(F)F	REAL300019958707	0	38	-1.0	-49.87	332.01	5.68	-44.19
CCN1N=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1C(F)(F)F	REAL300019958707	1	38	-1.0	-49.70	332.11	5.70	-44.00
CCN1N=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C(F)(F)F	REAL300019958708	0	35	-1.0	-35.25	318.28	2.58	-32.67
CCN1N=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C(F)(F)F	REAL300019958708	1	35	-1.0	-35.29	318.22	2.57	-32.72
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(=O)C(F)(F)CC1	REAL300019958709	0	34	-1.0	-38.48	289.89	4.80	-33.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(=O)C(F)(F)CC1	REAL300019958709	1	34	-1.0	-38.43	289.96	4.80	-33.63
O=C(CC1CS(=O)(=O)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966202	0	34	-1.0	-50.97	304.08	-1.29	-52.26
CC(=CC1CCC(C)CC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966203	0	47	-1.0	-50.34	362.49	5.73	-44.61
COC1=NSC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966204	0	31	-1.0	-47.41	293.51	-1.11	-48.52
CCOCN1N=C(C)C(CC(C)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019966205	0	53	-1.0	-45.44	425.72	3.09	-42.35
COC1=CC2=NC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)N2C=C1	REAL300019966206	0	38	-1.0	-53.85	325.87	2.79	-51.06
COC1=CC=CC(S(=O)CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966207	0	40	-1.0	-52.26	357.32	1.11	-51.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC(C2=CC3=CC=CC=C3C=C2)=C1	REAL300019966208	0	44	-1.0	-51.36	379.84	5.30	-46.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1	REAL300019966208	1	44	-1.0	-51.41	380.51	5.34	-46.07
CC1=C(Br)C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019966209	0	31	-1.0	-49.93	307.31	3.43	-46.50
CC1=C2OC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C2=CC=C1	REAL300019966210	0	37	-1.0	-56.84	323.07	4.06	-52.78
CCC(CC1=CC=CC=C1C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966211	0	46	-1.0	-40.91	365.87	5.92	-34.99
CNC1=CN=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019966212	0	34	-1.0	-50.83	299.89	-0.89	-51.72
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966213	0	40	-1.0	-49.92	348.22	6.71	-43.21
CC1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966214	0	40	-1.0	-40.17	314.45	3.87	-36.30
O=C(CCC1=CC=CC(OC(F)F)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966215	0	41	-1.0	-44.46	357.96	4.13	-40.33
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(Br)O1	REAL300019966216	0	31	-1.0	-46.95	297.95	2.59	-44.36
C=CCCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300019966217	0	37	-1.0	-48.06	329.91	1.55	-46.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC2=CN=CC=C2C=C1	REAL300019966218	0	35	-1.0	-49.13	311.00	1.74	-47.39
CC(=O)NC1=CC=CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966219	0	41	-1.0	-48.67	353.60	2.62	-46.05
NC1=NN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019966220	0	32	-1.0	-64.71	287.68	2.19	-62.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC(F)C1	REAL300019966221	0	37	-1.0	-40.66	303.29	3.32	-37.34
COC(=O)N1CC2CCC1C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300019966222	0	46	-1.0	-64.74	366.09	3.59	-61.15
COC(=O)N1CC2C=CC1C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300019966223	0	44	-1.0	-59.54	360.26	2.81	-56.73
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1(F)Cl	REAL300019966224	0	31	-1.0	-41.36	286.42	2.63	-38.73
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOCC1	REAL300019966225	0	42	-1.0	-50.77	328.61	2.74	-48.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL300019966226	0	44	-1.0	-46.00	344.05	4.85	-41.15
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966227	0	45	-1.0	-43.13	372.76	1.41	-41.72
CC(C)(C)N1N=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1N	REAL300019966228	0	42	-1.0	-50.60	341.82	1.88	-48.72
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966229	0	47	-1.0	-54.72	393.51	6.11	-48.61
CC1=CC=C(C2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CCC2)C=C1	REAL300019966230	0	44	-1.0	-50.71	357.57	6.10	-44.61
CN1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC1=O	REAL300019966231	0	34	-1.0	-50.61	295.83	-1.49	-52.10
CCC(CC)(CO)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966232	0	40	-1.0	-44.40	315.83	-0.31	-44.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=CC=CC(O)=C21	REAL300019966233	0	38	-1.0	-55.68	326.97	3.74	-51.94
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966234	0	39	-1.0	-61.72	348.84	-0.30	-62.02
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019966235	0	43	0.0	-85.82	357.56	3.00	-82.82
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966236	0	43	0.0	-61.90	352.04	2.93	-58.97
CC1=C(C)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966237	0	41	-1.0	-49.46	328.43	4.36	-45.10
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2CCCC2=N1	REAL300019966238	0	35	-1.0	-53.10	302.22	2.65	-50.45
CN1C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(=O)C2=CC=CC=C21	REAL300019966239	0	40	-1.0	-49.24	334.60	4.15	-45.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(SC(F)(F)F)O1	REAL300019966240	0	32	-1.0	-46.52	318.08	2.82	-43.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(O)=C1OC(F)(F)F	REAL300019966241	0	36	-1.0	-58.35	327.64	1.70	-56.65
CC(C)(C)OC(=O)CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL300019966242	0	49	-1.0	-46.50	387.83	5.33	-41.17
CON1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966243	0	40	-1.0	-43.09	322.06	0.43	-42.66
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@@H+]1C	REAL300019966244	0	43	0.0	-67.83	330.23	3.17	-64.66
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@H+]1C	REAL300019966244	1	43	0.0	-72.62	335.33	3.45	-69.17
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC=C1	REAL300019966245	0	36	-1.0	-43.92	308.67	2.52	-41.40
COC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966246	0	34	-1.0	-52.06	299.62	0.66	-51.40
CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=C(Br)C=N1	REAL300019966247	0	37	-1.0	-50.70	336.25	2.78	-47.92
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC2=CC(Cl)=CN=C12	REAL300019966248	0	33	-1.0	-59.23	321.51	3.17	-56.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300019966249	0	36	-2.0	-84.51	330.92	2.91	-81.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300019966250	0	38	-1.0	-51.28	340.36	4.28	-47.00
CCOC(=O)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL300019966251	0	43	-1.0	-40.52	352.34	4.25	-36.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2CCCCC2=C1	REAL300019966252	0	39	-1.0	-57.23	324.53	4.28	-52.95
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966253	0	36	-1.0	-53.53	326.28	4.33	-49.20
C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@@H+]1C	REAL300019966254	0	40	0.0	-76.27	309.57	2.43	-73.84
C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@H+]1C	REAL300019966254	1	40	0.0	-65.29	315.19	2.83	-62.46
CC1=C([N+](=O)[O-])C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[N+](=O)[O-]	REAL300019966255	0	38	-1.0	-49.10	339.90	4.72	-44.38
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966256	0	38	-1.0	-59.58	346.70	-2.35	-61.93
CCNC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300019966257	0	35	-1.0	-48.56	319.35	0.94	-47.62
NC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[N+](=O)[O-]	REAL300019966258	0	34	-1.0	-54.41	308.38	0.88	-53.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(NC2=CC=CC=C2)CC1	REAL300019966259	0	40	-1.0	-41.97	341.03	3.49	-38.48
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966260	0	40	-1.0	-43.87	358.56	5.50	-38.37
COCC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966261	0	38	-1.0	-50.25	320.05	1.96	-48.29
CN1N=C(C2CC2)N=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966262	0	40	-1.0	-62.60	345.88	3.18	-59.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2=NC=NC=C2C1	REAL300019966263	0	39	-1.0	-52.36	326.39	3.40	-48.96
CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1(F)Cl	REAL300019966264	0	34	-1.0	-47.18	308.34	3.29	-43.89
COC1=CC=C2C(=C1)C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C(C)N2C	REAL300019966265	0	45	-1.0	-59.84	378.76	4.43	-55.41
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1	REAL300019966266	0	45	-1.0	-47.93	379.99	4.03	-43.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=CC=CC(Cl)=C2S1	REAL300019966267	0	34	-1.0	-48.80	328.42	4.98	-43.82
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966268	0	37	-1.0	-59.18	325.05	3.54	-55.64
CC1CCN2N=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2C1	REAL300019966269	0	41	-1.0	-51.40	337.83	3.06	-48.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019966270	0	33	-2.0	-107.90	320.95	4.27	-103.63
O=C(CC1=CC=C2OCCCC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966271	0	42	-1.0	-54.89	351.01	4.37	-50.52
CSC1=CC=C(CCCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019966272	0	44	-1.0	-45.12	380.69	6.34	-38.78
O=C(CN1N=NN=C1C1=CSC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966273	0	36	-1.0	-62.25	331.32	1.66	-60.59
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=NN1C1=CC=C(F)C(F)=C1	REAL300019966274	0	40	-1.0	-47.15	357.59	3.33	-43.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COC2=CC=C(F)C=C12	REAL300019966275	0	34	-1.0	-59.18	308.07	3.46	-55.72
CC(C)CN1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966276	0	40	-1.0	-39.93	329.99	3.63	-36.30
CC1=NC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C(Cl)C=C2C=C1	REAL300019966277	0	39	-1.0	-58.12	350.33	4.96	-53.16
CCOC(=O)C1CCC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966278	0	49	-1.0	-50.70	386.94	5.33	-45.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC1C1CC1	REAL300019966279	0	44	-1.0	-41.36	338.70	5.14	-36.22
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CC=C2F)CCC1	REAL300019966280	0	41	-1.0	-44.88	344.25	5.32	-39.56
CC(C)(C)OC(=O)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966281	0	45	-1.0	-48.31	369.44	4.35	-43.96
O=C(CN1C=CC2=CC=C(F)C=C21)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966282	0	38	-1.0	-48.06	337.14	5.27	-42.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN2CCOCC2=C1	REAL300019966283	0	36	-1.0	-51.89	311.00	0.09	-51.80
CC(C)=CCCC(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966284	0	46	-1.0	-41.21	367.18	5.51	-35.70
CC1(C)CC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C2O1	REAL300019966285	0	42	-1.0	-51.69	350.39	4.29	-47.40
CC(C)(C)OC(=O)COCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966286	0	43	-1.0	-51.78	361.56	3.46	-48.32
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CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)N=N1	REAL300019966288	0	42	-1.0	-54.81	360.96	4.41	-50.40
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CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966296	0	43	-1.0	-50.66	347.24	4.68	-45.98
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COC(=O)C12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)C2	REAL300019966299	0	38	-1.0	-53.99	330.86	3.28	-50.71
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CN1C(=O)NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966305	0	32	-1.0	-58.67	282.52	-0.25	-58.92
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CC(C)(C)OC(=O)C(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966308	0	45	-1.0	-46.32	362.61	4.80	-41.52
CC(C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)OC(C)(C)C	REAL300019966309	0	48	-1.0	-45.75	375.64	5.45	-40.30
COC(=O)C1=C(COCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC=N1	REAL300019966310	0	40	-1.0	-52.65	360.32	-0.67	-53.32
COC1=NN(C)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966311	0	35	-1.0	-62.30	309.96	-0.93	-63.23
C[N@@H+]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@@H]1C1=CC=CC=C1	REAL300019966312	0	47	0.0	-72.58	349.15	4.99	-67.59
C[N@H+]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@@H]1C1=CC=CC=C1	REAL300019966312	1	47	0.0	-78.55	370.95	5.70	-72.85
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CC(C)(C)C1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CN1	REAL300019966314	0	40	-1.0	-50.22	324.01	2.99	-47.23
CC(C)(C)C1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC=N1	REAL300019966314	1	40	-1.0	-51.53	323.92	3.07	-48.46
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CC1=C(C2=CC=CO2)N=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019966316	0	40	-1.0	-57.87	363.87	3.30	-54.57
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CC1=C(C2=CC=CC=C2)SC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966318	0	41	-1.0	-49.57	363.80	6.39	-43.18
CC1=NN(C(C)C)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966319	0	40	-1.0	-54.50	336.26	2.79	-51.71
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CCC1=C(C2=CC=CC=C2)SC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966323	0	44	-1.0	-49.42	384.08	7.10	-42.32
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CC1=CC=C(C2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CCOCC2)C=C1C	REAL300019966326	0	51	-1.0	-41.43	394.57	5.20	-36.23
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O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC1N1C=CC=N1	REAL300019966328	0	44	-1.0	-47.25	352.82	4.36	-42.89
CC(C)C1CCC(C)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966329	0	49	-1.0	-51.22	371.11	5.30	-45.92
CC(C)(C)OC(=O)N(CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL300019966330	0	51	-1.0	-44.82	407.64	4.39	-40.43
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C(=O)OC(C)(C)C	REAL300019966331	0	47	-1.0	-43.13	376.90	3.09	-40.04
C#CCN1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966332	0	38	-1.0	-44.03	323.13	1.49	-42.54
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966333	0	41	-1.0	-43.84	355.17	5.40	-38.44
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC(=O)C2=CC=CC=C21	REAL300019966334	0	39	-1.0	-48.24	335.91	4.97	-43.27
CC(C)(C)OC(=O)CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966335	0	48	-1.0	-43.83	390.66	5.14	-38.69
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966336	0	38	-1.0	-43.63	335.66	0.40	-43.23
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CC(C)(C)C1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966339	0	43	-1.0	-52.23	349.11	5.36	-46.87
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CS(=O)(=O)N1CCC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966343	0	45	-1.0	-60.56	372.31	0.43	-60.13
CC1=NN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)N1C	REAL300019966344	0	37	-1.0	-53.37	327.19	2.03	-51.34
O=C(CC1OCC2=CC=CC=C21)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966345	0	39	-1.0	-55.01	331.78	3.65	-51.36
COC1=CC=C2CCCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C2=C1	REAL300019966346	0	45	-1.0	-52.29	360.22	4.95	-47.34
COC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019966347	0	32	-1.0	-47.97	289.16	1.49	-46.48
COC1=CN2N=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2C=C1	REAL300019966348	0	38	-1.0	-53.61	329.82	2.04	-51.57
O=C(CCC1CCCCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966349	0	46	-1.0	-41.08	351.39	5.11	-35.97
CC1(C)CC2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2O1	REAL300019966350	0	42	-1.0	-59.22	349.10	5.12	-54.10
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCS1(=O)=O	REAL300019966351	0	34	-1.0	-55.93	299.98	-1.29	-57.22
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966352	0	38	-1.0	-54.04	347.09	3.33	-50.71
NC1=NC(C2CC2)=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966353	0	38	-1.0	-48.68	324.95	1.86	-46.82
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CN1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC=C21	REAL300019966355	0	43	-1.0	-41.41	344.77	3.68	-37.73
CN(C)C1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019966356	0	38	-1.0	-49.46	341.07	2.26	-47.20
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966357	0	44	-1.0	-48.96	374.19	4.79	-44.17
CC(C)(C)N1CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966358	0	42	-1.0	-48.56	305.29	-0.00	-48.56
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966358	1	43	0.0	-61.63	334.16	3.20	-58.43
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966358	1	43	0.0	-62.31	318.45	2.57	-59.74
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CC(=NO)C1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1(C)C	REAL300019966362	0	44	-1.0	-51.18	357.09	1.34	-49.84
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CC1=CN=C2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CN12	REAL300019966364	0	37	-1.0	-59.18	321.04	4.15	-55.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(N2CCOCC2)CC1	REAL300019966365	0	41	-1.0	-40.71	327.14	-0.39	-41.10
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C(F)(F)F)N=CO1	REAL300019966366	0	30	-1.0	-53.45	287.82	-1.18	-54.63
CC1CC2=CNN=C2C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019966367	0	41	-1.0	-49.67	334.90	2.30	-47.37
CC1CC2=C(NN=C2)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019966367	1	41	-1.0	-49.68	334.46	2.32	-47.36
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCO1	REAL300019966368	0	47	-1.0	-50.35	379.99	3.42	-46.93
O=C(CC(N1C=CN=C1)C(F)(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966369	0	37	-1.0	-44.79	330.55	3.93	-40.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(N2C=CN=C2)=CC=C1O	REAL300019966370	0	39	-1.0	-54.43	337.71	3.88	-50.55
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CC(C)CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=CN=C1	REAL300019966372	0	43	-1.0	-44.36	356.53	5.18	-39.18
CN1C(Cl)=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966373	0	31	-1.0	-50.42	287.20	2.07	-48.35
CN1CCCC1C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300019966374	0	43	-1.0	-49.25	359.42	-0.00	-49.25
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300019966374	1	44	0.0	-77.60	358.65	2.56	-75.04
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COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019966572	0	42	-1.0	-42.68	354.71	4.39	-38.29
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COCC1=CN=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966575	0	37	-1.0	-51.32	323.06	0.96	-50.36
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CN(C)C(=O)C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966577	0	47	-1.0	-52.66	368.81	3.12	-49.54
CC1=C(Br)C=NC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966578	0	33	-1.0	-48.17	302.20	2.49	-45.68
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=CC=N1	REAL300019966579	0	37	-1.0	-61.26	311.99	2.39	-58.87
CC(C)[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1CC2=CC=CC=C2C1=O	REAL300019966580	0	48	-1.0	-46.15	385.58	5.50	-40.65
COC1=CC=C(OC(C)(C)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019966581	0	45	-1.0	-43.85	363.35	3.63	-40.22
CC(C)CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C=C1	REAL300019966582	0	46	-1.0	-41.29	385.12	7.03	-34.26
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C21	REAL300019966583	0	44	-1.0	-55.93	367.26	3.33	-52.60
COC1=CC=CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1Cl	REAL300019966584	0	38	-1.0	-54.01	340.33	3.51	-50.50
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CCCCC(C)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966586	0	39	-1.0	-39.15	323.74	3.56	-35.59
CC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(N)=N1	REAL300019966587	0	34	-1.0	-48.56	294.71	0.16	-48.40
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N(C)C(=O)OC(C)(C)C	REAL300019966588	0	50	-1.0	-42.43	396.09	4.22	-38.21
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O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300019966591	0	41	-1.0	-44.76	347.77	4.24	-40.52
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966592	0	44	-1.0	-41.91	367.08	2.29	-39.62
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019966593	0	51	-1.0	-51.67	407.37	3.83	-47.84
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CC(=O)C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1OC(C)C	REAL300019966598	0	46	-1.0	-54.39	382.64	5.66	-48.73
C[NH+](C)CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966599	0	40	0.0	-67.91	318.62	3.18	-64.73
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CCNC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019966604	0	35	-1.0	-50.91	319.09	1.06	-49.85
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COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC1	REAL300019966609	0	44	-1.0	-42.73	350.65	4.01	-38.72
CC(CC1=CC=CO1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966610	0	37	-1.0	-42.17	315.83	3.14	-39.03
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CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C)N1C1=CN(C)N=C1	REAL300019966615	0	45	-1.0	-55.12	381.48	4.72	-50.40
CC1=NC(C2=CC=CS2)=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019966616	0	40	-1.0	-54.44	368.70	4.09	-50.35
COCC1=CSC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966617	0	35	-1.0	-51.90	320.41	1.78	-50.12
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966618	0	38	-1.0	-43.95	306.80	2.91	-41.04
CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCO1	REAL300019966619	0	41	-1.0	-49.36	327.32	2.40	-46.96
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O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(NC2=NCCC2)C=C1	REAL300019966620	1	43	-1.0	-52.63	359.20	3.69	-48.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300019966621	0	45	-1.0	-55.26	384.32	3.79	-51.47
NC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(Br)=N1	REAL300019966622	0	32	-1.0	-48.39	304.76	0.54	-47.85
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC2=C1COCC2	REAL300019966623	0	35	-1.0	-48.34	304.74	0.66	-47.68
CC1=CN2C=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC2=N1	REAL300019966624	0	37	-1.0	-59.80	321.50	4.20	-55.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(C2CC2)N=N1	REAL300019966625	0	34	-1.0	-48.29	303.84	0.90	-47.39
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CNC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019966627	0	36	-1.0	-49.84	313.22	1.95	-47.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2C(C1)C2(F)F	REAL300019966628	0	38	-1.0	-43.78	315.67	4.01	-39.77
CC(F)(F)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966629	0	34	-1.0	-39.17	297.69	2.95	-36.22
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019966630	0	42	-1.0	-61.53	353.77	-0.30	-61.83
COC1=CC=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1OC(F)F	REAL300019966631	0	42	-1.0	-58.94	365.82	3.23	-55.71
CC1=CC=CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1Br	REAL300019966632	0	37	-1.0	-51.23	333.72	4.82	-46.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019966633	0	46	-1.0	-57.65	376.47	2.51	-55.14
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COC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL300019966635	0	31	-1.0	-47.50	284.61	-3.31	-50.81
CC1=CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NC=C1Cl	REAL300019966636	0	36	-1.0	-57.69	326.53	3.22	-54.47
NC1=C(Cl)C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019966637	0	33	-1.0	-49.40	316.60	2.10	-47.30
CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC(F)(F)CC1	REAL300019966638	0	43	-1.0	-50.55	333.65	4.80	-45.75
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966639	0	34	-1.0	-42.14	307.16	2.06	-40.08
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O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300019966642	0	34	-1.0	-49.69	324.51	4.56	-45.13
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966643	0	40	-1.0	-65.75	347.69	-0.63	-66.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019966644	0	44	-1.0	-41.24	363.99	6.08	-35.16
CC1=CCC(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966645	0	41	-1.0	-41.97	327.18	4.15	-37.82
CCN1C(=O)NC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300019966646	0	41	-1.0	-57.37	352.70	2.86	-54.51
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CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966648	0	41	-1.0	-40.39	338.93	2.58	-37.81
CC1(C)CCCC(O)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019966649	0	44	-1.0	-50.23	337.83	1.70	-48.53
COC(=O)N1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966650	0	42	-1.0	-47.40	346.54	1.96	-45.44
O=C(CCC1=CC=CN=C1Cl)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966651	0	36	-1.0	-45.31	326.35	3.07	-42.24
CN1C(=O)CO[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@H]1C1=CC=CN=C1	REAL300019966652	0	45	-1.0	-51.13	370.15	2.19	-48.94
COC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)OC(C)(C)C	REAL300019966653	0	46	-1.0	-43.00	371.12	3.75	-39.25
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1(C)C	REAL300019966654	0	49	-1.0	-38.93	383.61	5.53	-33.40
CC(C)(C)OC(=O)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC1	REAL300019966655	0	52	-1.0	-57.33	400.56	7.12	-50.21
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CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019966657	0	38	-1.0	-57.33	353.39	0.05	-57.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300019966658	0	41	-1.0	-45.87	355.21	4.77	-41.10
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COCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCCC1	REAL300019966660	0	44	-1.0	-49.45	340.50	3.31	-46.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C2CCCCCN12	REAL300019966661	0	41	-1.0	-42.54	328.91	3.44	-39.10
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CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019966752	1	38	-1.0	-57.95	341.91	-0.70	-58.65
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966753	0	34	-1.0	-61.54	312.58	2.00	-59.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=CC(=O)NC=C21	REAL300019966754	0	37	-1.0	-46.58	318.77	2.30	-44.28
CC1=CN2C=CN=C2C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966755	0	37	-1.0	-53.62	319.63	4.82	-48.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(SC(F)(F)F)N=C1	REAL300019966756	0	34	-1.0	-48.71	327.82	3.29	-45.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC(N2CCOCC2)=N1	REAL300019966757	0	42	-1.0	-48.13	353.42	1.53	-46.60
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019966758	0	48	-1.0	-44.85	390.17	1.85	-43.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2(CC2)C1	REAL300019966759	0	41	-1.0	-40.55	330.08	4.61	-35.94
CCCN1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966760	0	37	-1.0	-40.66	315.58	2.40	-38.26
CC1=CC=C(COCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019966761	0	41	-1.0	-45.80	353.19	4.71	-41.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C(F)F)=CC=C1F	REAL300019966762	0	34	-1.0	-54.56	309.64	3.99	-50.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300019966763	0	45	-1.0	-53.26	370.97	3.89	-49.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019966764	0	38	-1.0	-55.84	340.37	4.16	-51.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(Cl)C2=CC=CN=C2S1	REAL300019966765	0	33	-1.0	-51.31	319.63	3.07	-48.24
COC1=CC(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(OC)=C1O	REAL300019966766	0	46	-1.0	-46.24	388.18	1.55	-44.69
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966767	0	41	-1.0	-43.70	354.76	2.99	-40.71
COC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019966768	0	38	-1.0	-53.49	316.84	3.13	-50.36
CCC1=CNC(=O)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966769	0	37	-1.0	-51.81	317.93	1.68	-50.13
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(O)CC1=CC=CC=C1	REAL300019966770	0	38	-1.0	-42.81	329.04	2.35	-40.46
CN1N=CC(Cl)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966771	0	31	-1.0	-41.42	286.55	1.48	-39.94
CC1=CC(F)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019966772	0	34	-1.0	-53.51	310.61	3.69	-49.82
CC1=CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C)=C1	REAL300019966773	0	40	-1.0	-52.69	340.12	5.06	-47.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019966774	0	41	-1.0	-50.29	364.82	3.52	-46.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(N2CCCC2)=C1	REAL300019966775	0	43	-1.0	-54.25	350.60	3.56	-50.69
CCOC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL300019966776	0	38	-1.0	-39.07	315.33	1.73	-37.34
COC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1OC(C)C	REAL300019966777	0	45	-1.0	-56.60	366.68	4.90	-51.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300019966778	0	41	-1.0	-53.25	365.65	3.40	-49.85
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300019966779	0	42	-1.0	-57.16	357.69	3.51	-53.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300019966780	0	42	-1.0	-53.03	358.81	3.55	-49.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2CC(=O)NC2=NC=C1	REAL300019966781	0	35	-1.0	-54.51	308.63	0.71	-53.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300019966782	0	37	-1.0	-60.13	340.91	4.63	-55.50
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019966783	0	38	-1.0	-49.70	347.41	3.27	-46.43
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019966784	0	47	-1.0	-50.89	383.58	6.56	-44.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(F)C=CC(F)=C1Cl	REAL300019966785	0	31	-1.0	-51.65	304.56	3.44	-48.21
CCN1N=CC(Cl)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966786	0	34	-1.0	-40.21	305.32	2.51	-37.70
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019966787	0	37	-1.0	-46.85	331.70	2.47	-44.38
COC(=O)C1=CN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1	REAL300019966788	0	37	-1.0	-50.79	334.56	1.86	-48.93
C[C@@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)NC(=O)OC(C)(C)C	REAL300019966789	0	47	-1.0	-48.62	383.43	1.78	-46.84
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019966790	0	49	-1.0	-52.94	399.55	2.48	-50.46
CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C2=CC=CO2)=N1	REAL300019966791	0	38	-1.0	-61.47	336.62	3.49	-57.98
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019966792	0	36	-1.0	-52.59	330.05	-0.66	-53.25
COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL300019966793	0	38	-1.0	-42.11	316.61	2.97	-39.14
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC(S(N)(=O)=O)=C1	REAL300019966794	0	36	-1.0	-52.68	331.45	-3.25	-55.93
CSC1=CC=C(O)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966795	0	36	-1.0	-52.42	321.93	2.50	-49.92
CSC1=CC=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966795	1	35	-2.0	-111.26	318.37	3.51	-107.75
CCCCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL300019966796	0	45	-1.0	-40.96	351.13	4.99	-35.97
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966797	0	49	-1.0	-62.84	392.45	4.73	-58.11
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019966798	0	41	-1.0	-62.48	358.28	4.30	-58.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300019966799	0	50	-1.0	-42.31	367.46	7.08	-35.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300019966800	0	35	-1.0	-48.76	321.26	1.49	-47.27
CC1=CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C)N1C1=CC=CC=C1	REAL300019966801	0	48	-1.0	-56.39	403.78	7.72	-48.67
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CC2)CC1	REAL300019966802	0	41	-1.0	-50.34	330.02	4.61	-45.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2=CC(F)=CC=C21	REAL300019966803	0	38	-1.0	-41.61	325.46	4.87	-36.74
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C	REAL300019966804	0	44	-1.0	-41.89	363.62	6.29	-35.60
CCOCCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019966805	0	41	-1.0	-51.27	355.05	1.69	-49.58
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C(F)(F)F)SC=C1	REAL300019966806	0	31	-1.0	-55.95	297.78	3.16	-52.79
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966807	0	45	-1.0	-49.19	366.64	2.75	-46.44
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966808	0	50	-1.0	-43.64	398.52	-0.08	-43.72
CN1N=C(Cl)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1Cl	REAL300019966809	0	31	-1.0	-50.13	312.56	1.54	-48.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC1CC1=CC=CC=C1	REAL300019966810	0	47	-1.0	-53.78	381.51	6.91	-46.87
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019966811	0	44	-1.0	-41.65	375.48	5.43	-36.22
CN1C=C(Cl)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019966812	0	31	-1.0	-53.54	293.68	1.38	-52.16
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCCC2)CCNC1=O	REAL300019966813	0	45	-1.0	-53.98	346.93	1.16	-52.82
CCOC1=CC=CC(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966814	0	42	-1.0	-53.77	358.82	4.47	-49.30
COC1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019966815	0	39	-1.0	-52.47	336.90	3.55	-48.92
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966816	0	34	-1.0	-45.35	320.17	4.29	-41.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(Cl)SC=C1	REAL300019966817	0	28	-1.0	-52.82	277.99	2.58	-50.24
CC1(C)CC1(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300019966818	0	44	-1.0	-42.10	363.61	5.91	-36.19
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966819	0	38	-1.0	-43.53	350.03	3.93	-39.60
CC(=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CS1	REAL300019966820	0	35	-1.0	-48.11	316.04	4.12	-43.99
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC=C1C(F)(F)F	REAL300019966821	0	31	-1.0	-57.70	297.21	3.06	-54.64
CCCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C=C1	REAL300019966822	0	43	-1.0	-41.70	371.81	6.16	-35.54
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966823	0	48	-1.0	-51.69	395.36	2.80	-48.89
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966824	0	41	-1.0	-54.55	359.36	2.48	-52.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300019966825	0	37	-1.0	-59.55	335.41	-0.41	-59.96
CN1C=C(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300019966826	0	36	-1.0	-48.09	315.49	1.02	-47.07
CCOCCOCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966827	0	44	-1.0	-46.36	369.79	1.79	-44.57
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966828	0	39	-1.0	-54.28	351.59	2.09	-52.19
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300019966829	0	40	-1.0	-54.87	361.59	3.42	-51.45
COC1=CC=CC(C(OC)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966830	0	42	-1.0	-43.24	359.43	3.07	-40.17
COCCOCCOCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966831	0	48	-1.0	-47.98	403.42	1.15	-46.83
COC1=CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1OC	REAL300019966832	0	45	-1.0	-54.99	377.40	4.54	-50.45
CSC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C)O1	REAL300019966833	0	35	-1.0	-48.05	318.80	3.06	-44.99
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966834	0	43	-1.0	-56.00	347.84	1.85	-54.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=NO1	REAL300019966835	0	27	-1.0	-44.50	268.47	0.91	-43.59
CN1C(=O)NCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966836	0	34	-1.0	-49.92	294.68	-1.47	-51.39
CCC(C)(C)C(=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966837	0	38	-1.0	-43.33	309.10	2.28	-41.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019966838	0	44	-2.0	-118.87	375.23	4.07	-114.80
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966839	0	38	-1.0	-60.63	333.50	-0.81	-61.44
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(N2C=CC=C2)S1	REAL300019966840	0	39	-1.0	-54.31	346.46	5.92	-48.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019966841	0	37	-2.0	-111.45	330.38	2.76	-108.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019966841	1	37	-2.0	-113.56	330.30	2.80	-110.76
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019966842	0	34	-2.0	-82.60	315.89	-0.29	-82.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019966842	1	34	-2.0	-82.62	315.83	-0.31	-82.93
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966843	0	43	-1.0	-52.94	382.68	2.68	-50.26
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC=C1C(F)(F)F	REAL300019966844	0	31	-1.0	-46.15	291.85	0.58	-45.57
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966845	0	37	-1.0	-58.80	324.39	3.42	-55.38
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CN1C=CC(NC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)=N1	REAL300019966847	0	43	-1.0	-55.47	367.90	4.56	-50.91
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O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300019969244	0	41	-1.0	-55.87	352.85	2.56	-53.31
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NNC1=O	REAL300019969245	0	33	-1.0	-47.39	295.01	-0.76	-48.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2C=CC=CN2N=N1	REAL300019969246	0	33	-1.0	-53.30	296.33	1.42	-51.88
CC1CCC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1C	REAL300019969247	0	46	-1.0	-41.32	348.13	4.87	-36.45
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300019969248	0	44	-1.0	-42.56	340.44	4.04	-38.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C(F)(F)F)CC2CCC1C2	REAL300019969249	0	41	-1.0	-48.37	329.66	4.25	-44.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1CC(F)(F)F	REAL300019969250	0	37	-1.0	-43.68	323.70	4.78	-38.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CC2=NC=CC=C21	REAL300019969251	0	35	-1.0	-48.75	306.25	1.69	-47.06
CCN(CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)OC(C)(C)C	REAL300019969252	0	50	-1.0	-43.86	401.49	4.01	-39.85
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)CCN1C=CN=N1	REAL300019969253	0	36	-1.0	-45.33	325.34	1.43	-43.90
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969254	0	37	-1.0	-38.08	327.52	4.31	-33.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)CCN1C=CC=N1	REAL300019969255	0	37	-1.0	-42.17	331.64	2.62	-39.55
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969256	0	40	-1.0	-50.98	335.78	0.03	-50.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(CC(F)F)N=C1	REAL300019969257	0	34	-1.0	-52.70	311.34	2.00	-50.70
CN1C=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300019969258	0	33	-1.0	-51.18	290.50	1.85	-49.33
CC1=NN=NN1C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300019969259	0	42	-1.0	-53.31	362.68	3.52	-49.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCN1C1=CN=CC=N1	REAL300019969260	0	41	-1.0	-44.90	335.77	0.55	-44.35
CC1=CC=C(C=CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019969261	0	41	-1.0	-43.84	349.74	5.73	-38.11
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2CCS(=O)(=O)C2=CN1	REAL300019969262	0	36	-1.0	-58.44	324.14	-1.26	-59.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019969262	1	35	-2.0	-92.00	321.86	-1.75	-93.75
O=C(C=CC1=CC=CC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969263	0	35	-1.0	-51.46	307.50	4.24	-47.22
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCN2C=NN=C12	REAL300019969264	0	37	-1.0	-50.99	310.55	3.94	-47.05
COC(=O)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1C	REAL300019969265	0	37	-1.0	-48.33	314.02	3.13	-45.20
CCOC(=O)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2(CCC2)C1	REAL300019969266	0	47	-1.0	-39.63	382.89	5.50	-34.13
CC(C)C1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1F	REAL300019969267	0	40	-1.0	-57.96	336.33	5.00	-52.96
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969268	0	40	-1.0	-54.95	337.67	5.04	-49.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300019969269	0	37	-1.0	-58.30	322.70	5.37	-52.93
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C([N+](=O)[O-])=C1	REAL300019969270	0	45	-1.0	-59.09	375.31	6.62	-52.47
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300019969271	0	53	-1.0	-40.83	408.70	8.19	-32.64
CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC2=CC=CC=C21	REAL300019969272	0	47	-1.0	-41.15	360.66	6.35	-34.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C(F)(F)CF)C=C1	REAL300019969273	0	37	-1.0	-52.89	332.37	4.74	-48.15
COC(=O)C1=CSC2=C1NC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C2	REAL300019969274	0	38	-1.0	-51.74	352.96	2.70	-49.04
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)N2)S1	REAL300019969275	0	38	-1.0	-50.94	353.21	2.84	-48.10
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)C1=CN=CC=N1	REAL300019969276	0	32	-1.0	-49.23	295.60	0.84	-48.39
CC(C)(C)OC(=O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969277	0	39	-1.0	-47.57	324.15	3.57	-44.00
COC1=CC=C(C#CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019969278	0	37	-1.0	-50.50	334.19	3.72	-46.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CON=C1C1=CC=CC=C1	REAL300019969279	0	37	-1.0	-55.18	325.35	4.05	-51.13
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969280	0	47	-1.0	-44.60	391.61	1.33	-43.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300019969281	0	41	-1.0	-58.43	355.00	2.71	-55.72
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969282	0	45	-1.0	-42.96	369.57	6.85	-36.11
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969283	0	45	-1.0	-43.00	370.51	6.60	-36.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=CN=CNC2=N1	REAL300019969284	0	33	-1.0	-60.55	297.35	2.25	-58.30
CC(C)(C)C(=O)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969285	0	41	-1.0	-41.58	339.36	3.27	-38.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC(F)=N1	REAL300019969286	0	29	-1.0	-45.64	271.38	-0.57	-46.21
C#CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCO1	REAL300019969287	0	37	-1.0	-48.18	315.88	2.33	-45.85
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969288	0	34	-1.0	-52.35	305.33	2.24	-50.11
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969289	0	40	-1.0	-52.61	348.23	5.09	-47.52
CN1C(=O)N(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1C1CC1	REAL300019969290	0	41	-1.0	-61.74	358.19	3.51	-58.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(O)CCCCCC1	REAL300019969291	0	41	-1.0	-41.15	316.13	1.07	-40.08
CCN1C(C)=NN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300019969292	0	40	-1.0	-62.74	348.08	2.96	-59.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300019969293	0	45	-1.0	-42.44	380.07	7.03	-35.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2CC2)=CC=N1	REAL300019969294	0	37	-1.0	-50.13	319.34	3.43	-46.70
NS(=O)(=O)C1=CSC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969295	0	33	-1.0	-57.35	320.67	-3.03	-60.38
CC(C)(C)C1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019969296	0	39	-1.0	-53.40	334.40	0.63	-52.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=CC=CC=C2C1	REAL300019969297	0	36	-1.0	-52.21	313.22	4.82	-47.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C2C(=C1)C=CNC2=O	REAL300019969298	0	36	-1.0	-56.68	319.83	0.49	-56.19
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C(F)=C1	REAL300019969299	0	40	-1.0	-45.29	340.85	4.76	-40.53
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969300	0	44	-1.0	-53.29	369.55	5.60	-47.69
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969301	0	42	-1.0	-43.06	359.88	3.70	-39.36
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C2=CC=CC=C2F)=NO1	REAL300019969302	0	40	-1.0	-50.81	354.81	4.74	-46.07
COCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CCC1	REAL300019969303	0	42	-1.0	-54.32	338.95	2.69	-51.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOCC12CCCCC2	REAL300019969304	0	48	-1.0	-53.41	355.54	3.60	-49.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C(F)(F)F)CC2CCC1CC2	REAL300019969305	0	44	-1.0	-48.05	341.04	4.95	-43.10
CC(F)(F)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300019969306	0	40	-1.0	-45.07	339.48	5.11	-39.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CC=C2)CCOC1	REAL300019969307	0	42	-1.0	-49.80	340.51	3.57	-46.23
CC1=CC=C(C2CCCCC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019969308	0	50	-1.0	-52.78	392.91	7.30	-45.48
CC12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)OC2	REAL300019969309	0	36	-1.0	-48.19	303.28	1.23	-46.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CC2)CCCO1	REAL300019969310	0	39	-1.0	-41.56	319.74	2.66	-38.90
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969311	0	45	-1.0	-52.60	383.65	4.73	-47.87
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969312	0	51	-1.0	-51.90	410.62	0.60	-51.30
CCC(C)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)N1	REAL300019969313	0	43	-1.0	-49.19	354.14	2.92	-46.27
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969314	0	53	-1.0	-43.87	419.15	7.17	-36.70
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969315	0	41	-1.0	-43.59	359.71	5.36	-38.23
CC1=CC=C(OC(C)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1	REAL300019969316	0	44	-1.0	-44.37	364.39	5.53	-38.84
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969317	0	44	-1.0	-57.61	369.40	-0.65	-58.26
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300019969318	0	37	-1.0	-53.81	330.93	5.83	-47.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300019969319	0	40	-1.0	-51.67	348.75	4.73	-46.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(Cl)SC2=C1SN=N2	REAL300019969320	0	29	-1.0	-48.07	308.88	1.39	-46.68
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C2	REAL300019969321	0	38	-1.0	-53.24	344.36	1.85	-51.39
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C2	REAL300019969321	1	37	-2.0	-98.07	342.06	1.38	-96.69
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)NC2=C1	REAL300019969322	0	44	-1.0	-51.09	382.14	4.26	-46.83
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C(C2=NNC=N2)S1	REAL300019969323	0	36	-1.0	-53.10	334.84	1.78	-51.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300019969324	0	42	-1.0	-55.55	363.36	5.31	-50.24
COC(=O)C1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019969325	0	40	-1.0	-57.12	337.79	4.25	-52.87
C=CCCC(CC(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969326	0	46	-1.0	-40.20	361.63	5.22	-34.98
C=CCC(CC(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969327	0	43	-1.0	-40.91	343.08	4.43	-36.48
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CC1	REAL300019969328	0	49	-1.0	-44.79	392.27	2.18	-42.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300019969329	0	44	-1.0	-60.99	378.18	5.61	-55.38
CC(C)(C)C1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL300019969330	0	41	-1.0	-44.30	337.62	2.14	-42.16
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=CSC=C2)C=C1	REAL300019969331	0	38	-1.0	-52.06	337.64	5.49	-46.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2CCOC(=O)C2=C1	REAL300019969332	0	38	-1.0	-65.07	328.73	3.99	-61.08
CC(C)COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL300019969333	0	46	-1.0	-43.14	367.43	4.43	-38.71
CC1=C2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)N=CC2=NN1	REAL300019969334	0	36	-1.0	-52.00	318.28	0.66	-51.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(CC(F)(F)F)C=N1	REAL300019969335	0	34	-1.0	-53.75	319.17	3.58	-50.17
O=C(CCCCC1CSSC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969336	0	42	-1.0	-45.56	365.14	6.22	-39.34
CNC(=O)N1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019969337	0	43	-1.0	-50.27	348.00	1.02	-49.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300019969338	0	36	-1.0	-49.12	324.19	3.96	-45.16
CC1=CC2=CC=CN=C2C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969339	0	39	-1.0	-61.03	333.39	4.52	-56.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C2N=CC=CN12	REAL300019969340	0	33	-1.0	-48.33	293.42	3.92	-44.41
O=C(CC1=CC(Br)=CS1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969341	0	31	-1.0	-51.77	309.00	3.47	-48.30
CC1OC2(C)CC1(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300019969342	0	39	-1.0	-49.53	317.44	2.04	-47.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12COC(C=CC1)C2	REAL300019969343	0	37	-1.0	-41.18	304.62	1.59	-39.59
CN1C=C(C2=CC=CC=C2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019969344	0	41	-1.0	-57.96	348.75	4.33	-53.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C2CCC2)ON=C1	REAL300019969345	0	37	-1.0	-48.19	317.66	3.40	-44.79
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CN=C2C=C1	REAL300019969346	0	39	-1.0	-43.15	335.77	3.68	-39.47
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969347	0	42	-1.0	-50.89	375.73	7.05	-43.84
COC1(C2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)COC1	REAL300019969348	0	43	-1.0	-57.00	353.49	2.35	-54.65
COCCN1C=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300019969349	0	45	-1.0	-56.44	379.75	4.75	-51.69
CC(C)N1C=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300019969350	0	44	-1.0	-56.93	364.45	6.16	-50.77
C[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C=C1	REAL300019969351	0	37	-1.0	-51.99	319.68	4.33	-47.66
CCC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC(F)(F)F	REAL300019969352	0	39	-1.0	-44.46	322.49	3.58	-40.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NN1CC1CC1	REAL300019969353	0	38	-1.0	-40.26	311.61	3.45	-36.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(F)(F)CO1	REAL300019969354	0	35	-1.0	-57.64	303.66	2.20	-55.44
C[C@@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[C@H](C)O1	REAL300019969355	0	41	-1.0	-51.97	331.75	2.42	-49.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12COC(C1)CCC2	REAL300019969356	0	39	-1.0	-41.35	308.50	1.69	-39.66
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(CO1)C2	REAL300019969357	0	36	-1.0	-48.54	297.66	1.30	-47.24
CC12CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CO1)C2	REAL300019969358	0	39	-1.0	-40.49	319.02	1.76	-38.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300019969359	0	37	-1.0	-48.59	343.92	4.35	-44.24
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300019969360	0	37	-1.0	-48.22	354.24	4.80	-43.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300019969361	0	37	-1.0	-49.70	354.25	4.80	-44.90
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC2=CC(F)=CC(F)=C21	REAL300019969362	0	38	-1.0	-49.77	334.84	3.74	-46.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C(F)=C1F	REAL300019969363	0	31	-1.0	-57.18	299.95	3.69	-53.49
COC(=O)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019969364	0	40	-1.0	-56.99	349.62	4.50	-52.49
NC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(F)C(F)=C1F	REAL300019969365	0	33	-1.0	-46.34	300.70	1.49	-44.85
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969366	0	48	-1.0	-42.65	391.06	2.82	-39.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(Br)C=CN=C1F	REAL300019969367	0	30	-1.0	-52.91	297.79	1.62	-51.29
NC1=C(F)C=C(F)C(F)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969368	0	33	-1.0	-50.26	308.05	0.98	-49.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300019969369	0	41	-1.0	-57.70	354.17	1.59	-56.11
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CC2F)C1	REAL300019969370	0	35	-1.0	-52.50	303.45	3.51	-48.99
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN2CC(F)CC2=C1	REAL300019969371	0	35	-1.0	-55.08	308.88	1.76	-53.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCN(CCC1)S2(=O)=O	REAL300019969372	0	40	-1.0	-45.66	330.26	-0.66	-46.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300019969373	0	40	-1.0	-61.77	352.06	2.75	-59.02
CC1=CC=CC(C2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2(F)F)=C1	REAL300019969374	0	41	-1.0	-42.08	356.31	5.81	-36.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C2CC2)ON=C1Br	REAL300019969375	0	34	-1.0	-48.49	327.48	3.37	-45.12
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2C=CC1C2	REAL300019969376	0	37	-1.0	-49.77	312.26	3.54	-46.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(N1)C(Br)=CO2	REAL300019969377	0	32	-1.0	-50.18	308.87	1.69	-48.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C([N-]1)C(Br)=CO2	REAL300019969377	1	31	-2.0	-90.60	306.58	1.20	-89.40
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)N2)O1	REAL300019969378	0	35	-1.0	-52.93	309.06	1.88	-51.05
CC(C)C1=CNC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=NC2=C1	REAL300019969379	0	43	-1.0	-62.81	362.57	3.10	-59.71
C=CCN(CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)OC(C)(C)C	REAL300019969381	0	51	-1.0	-43.67	414.93	4.57	-39.10
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CC2=CC=CC=C21	REAL300019969382	0	40	-1.0	-51.59	330.61	5.90	-45.69
COC1=CC=CC(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019969383	0	40	-1.0	-43.57	345.10	1.29	-42.28
CN1N=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=C1CCOC2	REAL300019969384	0	39	-1.0	-53.77	330.14	0.82	-52.95
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969385	0	40	-1.0	-51.69	334.69	4.92	-46.77
COC1=CC(C)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019969386	0	37	-1.0	-49.03	315.91	0.49	-48.54
CC1=CC=C(C2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CCC(=O)CC2)C=C1	REAL300019969387	0	49	-1.0	-52.18	384.18	6.25	-45.93
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCOCC2)CC1(F)F	REAL300019969388	0	42	-1.0	-43.90	342.88	3.21	-40.69
CN1C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC2=C1C=CS2	REAL300019969389	0	35	-1.0	-41.66	314.06	3.69	-37.97
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1CC(F)F	REAL300019969390	0	37	-1.0	-52.01	328.23	2.43	-49.58
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1C1CCC1	REAL300019969391	0	41	-1.0	-50.71	341.64	3.51	-47.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2CCCCC2=CN1	REAL300019969392	0	39	-1.0	-53.60	320.82	3.32	-50.28
COCCOCC=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969393	0	39	-1.0	-56.15	339.97	0.62	-55.53
O=C(C=CC1CCCO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969394	0	36	-1.0	-52.28	307.72	1.61	-50.67
COC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CN(C(=O)OC(C)(C)C)C1	REAL300019969395	0	49	-1.0	-44.38	394.93	2.05	-42.33
CC[C@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL300019969396	0	42	-1.0	-50.13	325.41	3.74	-46.39
CC1=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC=C1	REAL300019969397	0	34	-1.0	-52.18	306.70	3.43	-48.75
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=NC=N1	REAL300019969398	0	36	-1.0	-42.72	308.29	3.56	-39.16
CC1=NN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1C	REAL300019969399	0	40	-1.0	-46.97	338.90	2.78	-44.19
C#CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOC1	REAL300019969400	0	37	-1.0	-49.74	310.46	2.12	-47.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300019969401	0	34	-1.0	-59.84	314.83	4.47	-55.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019969402	0	38	-1.0	-54.12	347.56	5.50	-48.62
CC(=O)C1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300019969403	0	32	-1.0	-53.16	306.02	0.67	-52.49
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969404	0	35	-1.0	-52.54	332.75	-0.84	-53.38
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019969405	0	38	-1.0	-66.40	333.83	2.03	-64.37
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969406	0	34	-1.0	-55.21	318.94	2.95	-52.26
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)CC1	REAL300019969407	0	44	-1.0	-68.03	386.64	2.61	-65.42
CC1=C2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)SC2=C(C)S1	REAL300019969408	0	37	-1.0	-49.85	346.78	5.01	-44.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2N=CC=C2C=C1	REAL300019969409	0	34	-1.0	-55.52	299.81	2.83	-52.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2=NN=CN21	REAL300019969410	0	37	-1.0	-46.64	307.49	3.90	-42.74
CC1(C)CCCC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019969411	0	44	-1.0	-44.29	346.15	3.74	-40.55
COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN=C1	REAL300019969412	0	37	-1.0	-58.66	323.73	2.01	-56.65
CCN1C(=O)CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969413	0	38	-1.0	-48.55	322.94	2.18	-46.37
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300019969414	0	43	-1.0	-48.11	346.44	-0.19	-48.30
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969415	0	38	-1.0	-47.76	337.24	5.28	-42.48
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C2	REAL300019969416	0	45	-1.0	-56.66	375.83	4.93	-51.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300019969417	0	39	-1.0	-57.79	338.67	3.90	-53.89
COC1=CC2=NC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2C=C1	REAL300019969418	0	40	-1.0	-52.93	338.50	2.74	-50.19
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC2=C1CCC2	REAL300019969419	0	37	-1.0	-51.22	310.82	3.12	-48.10
CCSC1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019969420	0	44	-1.0	-55.15	355.14	5.09	-50.06
CC1=CC(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C)=N1	REAL300019969421	0	42	-1.0	-43.42	356.81	4.00	-39.42
CC1=CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300019969422	0	40	-1.0	-52.50	340.37	5.96	-46.54
O=C(CCC1=CC=CC(=O)N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969423	0	37	-1.0	-49.63	323.34	1.33	-48.30
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC(Cl)=C1Cl	REAL300019969424	0	28	-1.0	-54.08	294.30	3.09	-50.99
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300019969425	0	43	-1.0	-60.54	365.28	2.50	-58.04
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969426	0	41	-1.0	-54.28	341.43	3.39	-50.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019969427	0	38	-1.0	-52.99	340.34	4.28	-48.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNC=C1Br	REAL300019969428	0	29	-1.0	-59.30	279.43	1.56	-57.74
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969429	0	41	-1.0	-52.73	370.51	2.69	-50.04
CCC1=C(C)SC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969430	0	37	-1.0	-50.69	321.33	4.10	-46.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(OC(F)(F)F)C1	REAL300019969431	0	35	-1.0	-40.35	316.48	1.59	-38.76
CS(=O)(=O)C1=COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969432	0	34	-1.0	-58.63	319.94	-1.48	-60.11
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969433	0	42	-1.0	-54.87	351.02	3.82	-51.05
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969434	0	42	-1.0	-55.05	351.02	3.82	-51.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300019969435	0	40	-1.0	-50.13	348.75	4.74	-45.39
CC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1Br	REAL300019969436	0	33	-1.0	-46.45	309.61	2.45	-44.00
COC1=CC(Br)=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969437	0	34	-1.0	-50.12	318.99	2.40	-47.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300019969438	0	40	-1.0	-62.43	356.16	0.70	-61.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOC(=O)CC1	REAL300019969439	0	37	-1.0	-59.98	306.72	2.46	-57.52
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CC1(C)COCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969473	0	41	-1.0	-49.72	317.21	1.91	-47.81
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CC1(C)CCCOC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969481	0	44	-1.0	-53.49	341.00	3.39	-50.10
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CC(=O)NC(COC(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969484	0	44	-1.0	-48.55	365.40	0.96	-47.59
CC1(C)OCC(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019969485	0	42	-1.0	-51.19	348.91	1.90	-49.29
CCCCOC1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019969486	0	48	-1.0	-51.90	401.75	6.05	-45.85
CC1=NN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300019969487	0	32	-1.0	-59.97	289.61	-0.22	-60.19
COC1=CC2=CC=C(CC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300019969488	0	44	-1.0	-56.13	372.77	5.29	-50.84
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969489	0	49	-1.0	-40.14	388.79	6.83	-33.31
COC1=NC=C(Cl)C(C)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969490	0	37	-1.0	-50.28	337.18	0.67	-49.61
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969491	0	41	-1.0	-63.44	365.07	2.37	-61.07
CC12CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CC1)OC2	REAL300019969492	0	42	-1.0	-47.42	331.57	2.56	-44.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C=COC2=C1	REAL300019969493	0	34	-1.0	-55.15	299.86	3.40	-51.75
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COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019969498	0	40	-1.0	-54.05	358.10	3.09	-50.96
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969499	0	37	-1.0	-50.79	314.42	1.40	-49.39
CCN1N=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C	REAL300019969500	0	37	-1.0	-52.30	320.26	2.23	-50.07
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969501	0	40	-1.0	-53.52	353.53	5.30	-48.22
CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C(F)=C1	REAL300019969502	0	40	-1.0	-50.22	345.13	5.08	-45.14
CCCN1C=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969503	0	38	-1.0	-41.63	317.45	4.12	-37.51
CC(C)(C)N1C=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019969504	0	43	-1.0	-47.10	360.34	3.53	-43.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300019969505	0	38	-1.0	-57.55	336.33	3.17	-54.38
CC1=CC=C(C2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2)C(F)=C1	REAL300019969506	0	41	-1.0	-55.07	352.24	5.66	-49.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019969507	0	31	-2.0	-102.43	300.78	3.07	-99.36
CCCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=NN1CC	REAL300019969508	0	42	-1.0	-48.37	355.39	2.25	-46.12
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC(C2=NNC=N2)=N1	REAL300019969509	0	39	-1.0	-55.02	355.30	2.39	-52.63
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CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969511	0	43	-1.0	-47.11	370.87	1.46	-45.65
CC1=NNC2=C1CC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)CC2	REAL300019969512	0	41	-1.0	-52.75	336.71	2.37	-50.38
CC1=C2CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CCC2=NN1	REAL300019969512	1	41	-1.0	-52.75	336.71	2.37	-50.38
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969513	0	42	-1.0	-56.94	357.14	2.93	-54.01
CSC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1[N+](=O)[O-]	REAL300019969514	0	37	-1.0	-51.68	336.70	4.59	-47.09
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969515	0	41	-1.0	-47.36	348.42	4.73	-42.63
C=C1CCC1(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)OC	REAL300019969516	0	38	-1.0	-40.45	327.90	3.28	-37.17
NS(=O)(=O)C1=COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969517	0	33	-1.0	-57.10	313.34	-4.05	-61.15
N#CC1=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=NN2C=C1	REAL300019969518	0	35	-1.0	-57.62	321.42	3.20	-54.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300019969519	0	41	-1.0	-54.07	358.30	4.14	-49.93
CCC1=NON=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969520	0	32	-1.0	-42.70	287.82	1.04	-41.66
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969521	0	45	-1.0	-62.34	375.96	1.89	-60.45
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300019969522	0	35	-1.0	-42.44	328.00	2.40	-40.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2N=NC=C2C=C1	REAL300019969523	0	33	-1.0	-58.65	294.50	1.55	-57.10
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@H](C)O1	REAL300019969524	0	42	-1.0	-50.99	350.46	1.02	-49.97
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(CCO)N=N1	REAL300019969525	0	34	-1.0	-48.95	307.02	-3.11	-52.06
O=C(CCC1=C(Br)C=CS1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969526	0	34	-1.0	-41.36	328.65	4.17	-37.19
O=C(CCNC1=CN=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969527	0	37	-1.0	-46.18	322.21	0.71	-45.47
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019969528	0	52	-1.0	-58.60	407.84	5.96	-52.64
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969529	0	40	-1.0	-52.32	354.97	3.78	-48.54
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O=C(CC1CC2(CCC2)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969531	0	41	-1.0	-41.98	334.27	4.66	-37.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC(F)(F)CC1	REAL300019969532	0	40	-1.0	-55.14	318.06	3.83	-51.31
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969533	0	38	-1.0	-54.62	325.59	2.18	-52.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC(CF)=C1	REAL300019969534	0	30	-1.0	-48.29	280.17	1.27	-47.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(C2=CC=CC=C2F)=NO1	REAL300019969535	0	39	-1.0	-65.94	345.57	4.43	-61.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019969536	0	38	-1.0	-53.43	334.15	5.29	-48.14
O=C(CCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)NC1=CC=CC=C1	REAL300019969537	0	50	-1.0	-52.10	417.18	5.13	-46.97
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2=CC=NN2C1	REAL300019969538	0	38	-1.0	-43.69	318.77	2.31	-41.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2C=NSC2=CC=C1	REAL300019969539	0	33	-1.0	-56.41	300.61	3.10	-53.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=NON=C21	REAL300019969540	0	32	-1.0	-64.07	289.23	1.91	-62.16
CN1C=C(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019969541	0	35	-1.0	-47.26	311.01	1.32	-45.94
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=C1	REAL300019969542	0	37	-1.0	-59.60	346.15	1.09	-58.51
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(C2CC2)=NO1	REAL300019969543	0	39	-1.0	-46.83	333.41	2.61	-44.22
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300019969544	0	36	-1.0	-46.95	330.01	3.31	-43.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300019969545	0	38	-1.0	-45.05	335.65	4.96	-40.09
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300019969546	0	45	-1.0	-53.19	369.71	5.71	-47.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CC2=NNN=C2)CCCC1	REAL300019969547	0	43	-1.0	-48.07	347.76	2.06	-46.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CC2=CNN=N2)CCCC1	REAL300019969547	1	43	-1.0	-48.07	347.76	2.06	-46.01
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969548	0	52	-1.0	-52.68	406.77	5.21	-47.47
C#CC1=CC=C(C2CC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019969549	0	40	-1.0	-56.21	344.47	6.20	-50.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(C1)OC2	REAL300019969550	0	36	-1.0	-50.30	297.36	1.13	-49.17
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC=C2C=N1	REAL300019969551	0	39	-1.0	-53.45	336.75	3.85	-49.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCC2)CC1(F)F	REAL300019969552	0	38	-1.0	-41.49	316.51	4.31	-37.18
CN1N=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C(C3CC3)N=C21	REAL300019969553	0	43	-1.0	-53.38	364.62	4.15	-49.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019969554	0	41	-1.0	-52.18	345.92	4.43	-47.75
CCC1=NOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969555	0	33	-1.0	-45.94	295.08	1.82	-44.12
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969556	0	51	-1.0	-61.44	404.58	2.21	-59.23
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969557	0	43	-1.0	-50.73	334.54	4.31	-46.42
O=C(C=CC1=CC=NC=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969558	0	34	-1.0	-52.24	302.53	2.49	-49.75
COC1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(OC)=C1OC	REAL300019969559	0	47	-1.0	-57.18	401.42	3.54	-53.64
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969560	0	47	-1.0	-56.49	384.09	2.77	-53.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2C(=O)NCCN2N=C1	REAL300019969561	0	36	-1.0	-65.11	311.99	-0.31	-65.42
CC=CC1=CC=C(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(OC)=C1	REAL300019969562	0	46	-1.0	-48.43	388.23	5.26	-43.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(=O)CC12CCC2	REAL300019969563	0	40	-1.0	-60.09	327.99	3.43	-56.66
CC1=CNC2=NC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C12	REAL300019969564	0	37	-1.0	-53.84	321.26	3.00	-50.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300019969565	0	38	-1.0	-55.30	334.61	1.75	-53.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300019969566	0	48	-1.0	-54.67	382.68	5.76	-48.91
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)O1	REAL300019969567	0	42	-1.0	-56.64	367.58	0.44	-56.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2=CC=CN=C2C1	REAL300019969568	0	37	-1.0	-56.28	314.59	3.03	-53.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(C2CC2)=NO1	REAL300019969569	0	36	-1.0	-59.59	313.97	2.92	-56.67
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300019969570	0	43	-1.0	-55.27	369.06	6.83	-48.44
CC1=CC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN=C2C(F)=C1	REAL300019969571	0	39	-1.0	-51.14	341.86	4.16	-46.98
CN1C=C(C2=NC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CO2)C=N1	REAL300019969572	0	37	-1.0	-51.22	336.54	-0.77	-51.99
COC1=C2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)NC2=C(C)C=C1	REAL300019969573	0	42	-1.0	-53.95	357.45	2.93	-51.02
CCCCOC1=CC=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019969574	0	47	-1.0	-44.44	391.93	5.53	-38.91
COC1=NC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300019969575	0	40	-1.0	-51.55	346.18	1.93	-49.62
CC1=CN2C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN=C2S1	REAL300019969576	0	34	-1.0	-42.78	309.95	3.46	-39.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300019969577	0	41	-1.0	-49.19	369.87	3.82	-45.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=C(Cl)S1	REAL300019969578	0	28	-1.0	-47.24	298.12	3.15	-44.09
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969579	0	42	-1.0	-49.94	346.97	3.67	-46.27
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOC1	REAL300019969580	0	38	-1.0	-51.70	310.21	1.40	-50.30
COC1CC2(C1)CCC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)CC2	REAL300019969581	0	48	-1.0	-52.74	375.96	3.93	-48.81
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969582	0	49	-1.0	-42.36	395.80	7.34	-35.02
CCC(C)(C)C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019969583	0	52	-1.0	-41.74	375.02	5.63	-36.11
CC1=CC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN=C2C=C1	REAL300019969584	0	39	-1.0	-51.19	335.64	4.07	-47.12
CN1C=C(C2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=NO2)N=N1	REAL300019969585	0	36	-1.0	-55.28	330.23	0.67	-54.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1COC2COCC21	REAL300019969586	0	37	-1.0	-50.73	305.53	-0.62	-51.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CC(=O)C2)CC1	REAL300019969587	0	43	-1.0	-53.88	346.03	4.09	-49.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300019969588	0	38	-1.0	-60.35	328.91	2.80	-57.55
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969589	0	46	-1.0	-42.56	374.38	6.57	-35.99
COC1(C(F)(F)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL300019969590	0	41	-1.0	-48.10	330.56	3.08	-45.02
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969591	0	45	-1.0	-51.30	372.71	4.62	-46.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC12CCC(F)(F)CC2	REAL300019969592	0	41	-1.0	-52.89	339.57	4.65	-48.24
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1Br	REAL300019969593	0	33	-1.0	-47.60	309.57	2.40	-45.20
CN(C)C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1[N+](=O)[O-]	REAL300019969594	0	41	-1.0	-51.92	353.36	4.31	-47.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300019969595	0	35	-1.0	-50.84	320.76	2.92	-47.92
CC1CCOC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969596	0	38	-1.0	-44.83	307.74	2.08	-42.75
COC(=O)C1=CSC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969597	0	34	-1.0	-56.94	321.01	2.71	-54.23
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969598	0	42	-1.0	-49.93	344.47	3.55	-46.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300019969599	0	39	-1.0	-49.53	360.23	5.14	-44.39
N#CC1=CC=C(C2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)N=CO2)C=C1	REAL300019969600	0	38	-1.0	-51.53	349.64	1.85	-49.68
COC1CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1(C)C	REAL300019969601	0	44	-1.0	-54.53	353.63	2.94	-51.59
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019969602	0	41	-1.0	-43.36	364.46	5.10	-38.26
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=NN21	REAL300019969603	0	45	-1.0	-61.09	371.14	4.46	-56.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCCN1C(=O)CCCC2	REAL300019969604	0	45	-1.0	-47.46	344.79	3.44	-44.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019969605	0	41	-1.0	-44.20	355.37	6.14	-38.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CC2(F)F)C1	REAL300019969606	0	38	-1.0	-42.21	325.20	4.13	-38.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2C1C2(F)F	REAL300019969607	0	38	-1.0	-56.48	315.30	3.95	-52.53
C=C1CC2(C1)CC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300019969608	0	39	-1.0	-41.28	326.67	4.41	-36.87
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969609	0	42	-1.0	-59.23	348.44	4.56	-54.67
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969610	0	49	-1.0	-49.23	352.44	5.06	-44.17
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@@H]12	REAL300019969611	0	49	-1.0	-52.21	402.23	2.53	-49.68
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C(F)F)=NN1C	REAL300019969612	0	37	-1.0	-53.20	334.61	2.06	-51.14
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969613	0	42	-1.0	-50.92	348.15	1.78	-49.14
CCC1=CC=C(C(=O)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019969614	0	36	-1.0	-44.92	328.16	3.54	-41.38
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969615	0	49	-1.0	-63.94	397.89	2.88	-61.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC(C2CCCC2)=C1	REAL300019969616	0	41	-1.0	-49.43	341.06	2.73	-46.70
CC1(C)OC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C2NC1=O	REAL300019969617	0	43	-1.0	-55.37	363.29	1.62	-53.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300019969618	0	39	-1.0	-54.03	327.01	2.21	-51.82
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C21	REAL300019969619	0	39	-1.0	-56.96	342.71	1.98	-54.98
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C12	REAL300019969620	0	43	-1.0	-51.88	363.79	5.79	-46.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC2=C1CCNC2=O	REAL300019969621	0	38	-1.0	-49.47	322.18	-0.29	-49.76
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NC=C1C(F)F	REAL300019969622	0	36	-1.0	-50.60	319.89	2.74	-47.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(CCCNC2=O)S1	REAL300019969623	0	39	-1.0	-60.09	342.25	1.35	-58.74
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969624	0	40	-1.0	-58.34	341.25	1.07	-57.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2C1C2(F)F	REAL300019969625	0	35	-1.0	-52.34	302.85	3.45	-48.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300019969626	0	35	-1.0	-50.20	327.29	2.26	-47.94
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969627	0	51	-1.0	-42.90	416.30	0.83	-42.07
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019969628	0	51	-1.0	-51.09	407.71	2.31	-48.78
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969629	0	42	-1.0	-48.35	353.52	3.86	-44.49
CC1=C(Cl)C=NN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969630	0	34	-1.0	-57.92	314.77	2.11	-55.81
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969631	0	45	-1.0	-50.00	376.39	1.85	-48.15
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N2C=C(C)SC2=N1	REAL300019969632	0	40	-1.0	-52.24	349.18	4.80	-47.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(C2CCCO2)O1	REAL300019969633	0	43	-1.0	-54.61	351.58	2.26	-52.35
CC1=CC(F)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[N+](=O)[O-]	REAL300019969634	0	36	-1.0	-51.16	321.74	4.31	-46.85
CN1N=NC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300019969635	0	36	-1.0	-70.06	315.76	1.68	-68.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C2OCCCC2=C1	REAL300019969636	0	38	-1.0	-51.68	321.71	0.56	-51.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300019969637	0	36	-1.0	-47.26	326.85	2.30	-44.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)CCC1=CC=CC=C1	REAL300019969638	0	40	-1.0	-38.50	350.54	5.46	-33.04
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)S2)S1	REAL300019969639	0	34	-1.0	-49.73	324.08	4.36	-45.37
O=C(CC12CCC(CC1)C2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969640	0	41	-1.0	-51.92	320.84	4.32	-47.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC=CC2=CC=CC=C21	REAL300019969641	0	39	-1.0	-53.87	328.79	5.28	-48.59
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969642	0	42	-1.0	-56.62	368.47	-0.79	-57.41
CCCOCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969643	0	40	-1.0	-43.69	335.81	2.36	-41.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2C=NN=C2C=N1	REAL300019969644	0	32	-1.0	-49.60	290.78	2.63	-46.97
CN1N=CC(C#N)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969645	0	32	-1.0	-45.07	295.24	1.12	-43.95
CON(CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)OC(C)(C)C	REAL300019969646	0	48	-1.0	-43.34	396.23	3.12	-40.22
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969647	0	44	-1.0	-49.03	373.13	1.67	-47.36
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=NC=CC=C12	REAL300019969648	0	36	-1.0	-53.56	308.53	3.42	-50.14
COC(=O)C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(F)C=N1	REAL300019969649	0	36	-1.0	-51.08	328.51	1.98	-49.10
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019969650	0	39	-1.0	-57.62	329.32	4.41	-53.21
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2SC=CC2=CN=C1	REAL300019969651	0	33	-1.0	-53.33	302.68	2.65	-50.68
CC(C)C(C)C(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969652	0	45	-1.0	-50.21	342.85	4.27	-45.94
COC1CC2(C1)CC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300019969653	0	42	-1.0	-42.07	346.58	2.85	-39.22
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969654	0	47	-1.0	-54.34	388.70	5.23	-49.11
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@@H]12	REAL300019969655	0	36	-1.0	-54.28	309.69	1.71	-52.57
CC1(C)CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL300019969656	0	41	-1.0	-49.12	324.04	2.06	-47.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300019969657	0	38	-1.0	-51.49	353.91	5.87	-45.62
O=C(CC1CCCNC(=O)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969658	0	41	-1.0	-67.55	329.57	0.58	-66.97
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1C(F)(F)F	REAL300019969659	0	34	-1.0	-39.77	298.04	2.98	-36.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC12CCC2	REAL300019969660	0	44	-1.0	-40.54	334.41	5.02	-35.52
CC12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CO1)CCC2	REAL300019969661	0	42	-1.0	-41.15	330.47	2.32	-38.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCCC1C2(F)F	REAL300019969662	0	35	-1.0	-41.77	303.98	3.42	-38.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300019969663	0	47	-1.0	-42.13	372.23	6.61	-35.52
CN1C=NC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300019969664	0	37	-1.0	-64.85	320.86	4.53	-60.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCCCC1C2(F)F	REAL300019969665	0	38	-1.0	-41.44	314.50	3.86	-37.58
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(Cl)C=NN1C1CCCC1	REAL300019969666	0	41	-1.0	-38.97	353.50	4.49	-34.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C2CC2)C=CO1	REAL300019969667	0	35	-1.0	-50.83	304.88	3.21	-47.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC(C2=CC=CC=N2)=C1	REAL300019969668	0	37	-1.0	-54.28	331.07	1.38	-52.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC=CC=N2)=NN1	REAL300019969668	1	37	-1.0	-54.28	331.07	1.38	-52.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300019969669	0	41	-1.0	-60.04	360.91	-0.59	-60.63
CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCO1	REAL300019969670	0	38	-1.0	-50.08	304.79	2.41	-47.67
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969671	0	31	-1.0	-42.02	307.51	-0.62	-42.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC2=CC=CNC2=C1	REAL300019969672	0	34	-1.0	-66.03	302.63	1.22	-64.81
COC1=C(Cl)C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=NC=CC=C21	REAL300019969673	0	40	-1.0	-56.21	360.95	3.91	-52.30
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969674	0	46	-1.0	-45.49	377.14	4.26	-41.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2C3CC1C(=O)C32	REAL300019969675	0	35	-1.0	-49.00	297.79	2.76	-46.24
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN2N=NC=C12	REAL300019969676	0	33	-1.0	-47.51	291.33	1.62	-45.89
CC1=NN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C(=O)N1	REAL300019970202	0	42	-1.0	-42.84	353.16	3.59	-39.25
CC1=NN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C(=O)N1	REAL300019970202	1	42	-1.0	-42.77	353.23	3.59	-39.18
CC1=NN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C(=O)[N-]1	REAL300019970202	1	41	-2.0	-84.51	349.39	2.49	-82.02
CC1=NN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C(=O)[N-]1	REAL300019970202	1	41	-2.0	-84.43	349.45	2.51	-81.92
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CN=C2CCCCN12	REAL300019970203	0	42	-1.0	-49.62	335.68	4.24	-45.38
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CN=C2CCCCN12	REAL300019970203	1	42	-1.0	-49.64	335.74	4.25	-45.39
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CN=C2CCCCN12	REAL300019970204	0	45	-1.0	-54.23	360.00	7.18	-47.05
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CN=C2CCCCN12	REAL300019970204	1	45	-1.0	-54.09	360.10	7.18	-46.91
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CN=C2CCCCN12	REAL300019970205	0	42	-1.0	-39.86	351.34	4.15	-35.71
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CN=C2CCCCN12	REAL300019970205	1	42	-1.0	-39.87	351.41	4.17	-35.70
C[N@@H+]1CCOCC2(COCCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL300019970206	0	47	0.0	-69.04	340.90	4.14	-64.90
C[N@H+]1CCOCC2(COCCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL300019970206	1	47	0.0	-50.27	340.69	2.96	-47.31
C[N@@H+]1CCOCC2(COCCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL300019970206	1	47	0.0	-69.07	340.96	4.15	-64.92
C[N@H+]1CCOCC2(COCCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL300019970206	1	47	0.0	-50.31	340.75	2.97	-47.34
CN1CCOCC2(COCCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL300019970206	1	46	-1.0	-46.33	339.83	3.42	-42.91
CN1CCOCC2(COCCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL300019970206	1	46	-1.0	-46.34	339.89	3.44	-42.90
C[N@@H+]1CCOCC2(COCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019970207	0	50	0.0	-58.98	360.58	6.07	-52.91
C[N@H+]1CCOCC2(COCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019970207	1	50	0.0	-74.10	366.67	7.23	-66.87
CN1CCOCC2(COCCN2C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019970207	1	49	-1.0	-52.35	361.70	5.23	-47.12
CN1CCOCC2(COCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019970207	1	49	-1.0	-51.48	361.53	5.16	-46.32
C[N@@H+]1CCOCC2(COCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019970208	0	47	0.0	-53.87	341.51	4.69	-49.18
C[N@H+]1CCOCC2(COCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019970208	1	47	0.0	-56.21	345.53	3.92	-52.29
C[N@@H+]1CCOCC2(COCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019970208	1	47	0.0	-53.90	341.45	4.68	-49.22
C[N@H+]1CCOCC2(COCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019970208	1	47	0.0	-56.21	345.46	3.92	-52.29
CN1CCOCC2(COCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019970208	1	46	-1.0	-37.74	348.91	3.48	-34.26
CN1CCOCC2(COCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019970208	1	46	-1.0	-37.81	348.84	3.45	-34.36
COC(=O)C1CC(NC(=O)CCCC2=N[N-]N=N2)CS1(=O)=O	REAL300019970209	0	38	-1.0	-58.50	335.95	-0.64	-59.14
COC(=O)C1CC(NC(=O)CCCC2=NN=N[N-]2)CS1(=O)=O	REAL300019970209	1	38	-1.0	-58.51	336.01	-0.63	-59.14
COC(=O)C1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CS1(=O)=O	REAL300019970210	0	41	-1.0	-59.93	361.19	2.23	-57.70
COC(=O)C1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CS1(=O)=O	REAL300019970210	1	41	-1.0	-59.71	361.27	2.23	-57.48
COC(=O)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CS1(=O)=O	REAL300019970211	0	38	-1.0	-44.54	346.99	-0.86	-45.40
COC(=O)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CS1(=O)=O	REAL300019970211	1	38	-1.0	-44.51	347.06	-0.85	-45.36
O=C(CCCC1=N[N-]N=N1)N1[C@H](C(F)(F)F)C[C@@H]2CCCC[C@@H]21	REAL300019970212	0	42	-1.0	-48.34	326.58	6.30	-42.04
O=C(CCCC1=NN=N[N-]1)N1[C@H](C(F)(F)F)C[C@@H]2CCCC[C@@H]21	REAL300019970212	1	42	-1.0	-48.34	326.64	6.32	-42.02
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1[C@H](C(F)(F)F)C[C@@H]2CCCC[C@@H]21	REAL300019970213	0	45	-1.0	-55.01	342.79	8.62	-46.39
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1[C@H](C(F)(F)F)C[C@@H]2CCCC[C@@H]21	REAL300019970213	1	45	-1.0	-55.71	343.34	8.68	-47.03
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1[C@H](C(F)(F)F)C[C@@H]2CCCC[C@@H]21	REAL300019970214	0	42	-1.0	-37.41	332.38	6.70	-30.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1[C@H](C(F)(F)F)C[C@@H]2CCCC[C@@H]21	REAL300019970214	1	42	-1.0	-37.39	332.45	6.70	-30.69
CCC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCCCC1	REAL300019970215	0	47	-1.0	-53.89	336.80	8.91	-44.98
CCC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCCCCC1	REAL300019970215	1	47	-1.0	-53.62	336.87	8.91	-44.71
CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCCC1	REAL300019970216	0	44	-1.0	-35.70	324.05	5.81	-29.89
CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCCC1	REAL300019970216	1	44	-1.0	-35.76	324.12	5.82	-29.94
COC1=NSC(C(C)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019970217	0	38	-1.0	-50.65	339.93	3.12	-47.53
COC1=NSC(C(C)NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019970217	1	38	-1.0	-50.48	340.02	3.15	-47.33
COC1=NSC(C(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019970218	0	35	-1.0	-36.39	326.15	0.01	-36.38
COC1=NSC(C(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019970218	1	35	-1.0	-36.44	326.21	0.02	-36.42
O=C(NC1CCN2C(=O)NN=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970219	0	39	-1.0	-58.82	329.56	3.70	-55.12
O=C(NC1CCN2C(=O)NN=C2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970219	1	39	-1.0	-58.56	329.66	3.70	-54.86
O=C(NC1CCN2C(=O)NN=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970220	0	36	-1.0	-41.04	315.83	0.57	-40.47
O=C(NC1CCN2C(=O)NN=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970220	1	36	-1.0	-41.02	315.90	0.57	-40.45
O=C(CCCC1=N[N-]N=N1)NC1C2CC3CC1CC(O)(C3)C2	REAL300019970221	0	44	-1.0	-49.00	328.69	1.94	-47.06
O=C(CCCC1=NN=N[N-]1)NC1C2CC3CC1CC(O)(C3)C2	REAL300019970221	1	44	-1.0	-49.02	328.75	1.96	-47.06
O=C(NC1C2CC3CC1CC(O)(C3)C2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970222	0	47	-1.0	-53.11	353.02	4.89	-48.22
O=C(NC1C2CC3CC1CC(O)(C3)C2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970222	1	47	-1.0	-52.94	353.13	4.89	-48.05
O=C(NC1C2CC3CC1CC(O)(C3)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970223	0	44	-1.0	-37.03	339.29	1.74	-35.29
O=C(NC1C2CC3CC1CC(O)(C3)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970223	1	44	-1.0	-36.98	339.34	1.76	-35.22
COC1=CC=C(C)C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019970224	0	38	-1.0	-59.80	323.64	5.49	-54.31
COC1=CC=C(C)C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL300019970224	1	38	-1.0	-59.57	323.74	5.51	-54.06
COC1=CC=C(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019970225	0	35	-1.0	-39.57	309.92	2.39	-37.18
COC1=CC=C(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019970225	1	35	-1.0	-39.60	309.85	2.39	-37.21
CCC1=CC(I)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019970226	0	35	-1.0	-45.97	318.80	6.07	-39.90
CCC1=CC(I)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019970226	1	35	-1.0	-46.01	318.86	6.09	-39.92
O=C(CCCC1=N[N-]N=N1)OC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL300019970227	0	46	-1.0	-49.45	383.88	5.09	-44.36
O=C(CCCC1=NN=N[N-]1)OC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL300019970227	1	46	-1.0	-49.49	383.93	5.11	-44.38
O=C(NC1CCOCC1)C1=CC=C(OC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019970228	0	46	-1.0	-40.20	395.49	4.71	-35.49
O=C(NC1CCOCC1)C1=CC=C(OC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019970228	1	46	-1.0	-40.18	395.56	4.71	-35.47
COC1=CC=C2NC3=C(CCCC3NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300019970229	0	47	-1.0	-47.58	380.31	4.71	-42.87
COC1=CC=C2NC3=C(CCCC3NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300019970229	1	47	-1.0	-47.60	380.37	4.72	-42.88
COC1=CC=C2NC3=C(CCCC3NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300019970230	0	47	-1.0	-37.90	390.91	4.52	-33.38
COC1=CC=C2NC3=C(CCCC3NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300019970230	1	47	-1.0	-37.91	390.98	4.52	-33.39
O=C(CCCC1=N[N-]N=N1)NC1CS(=O)(=O)C12CCCCC2	REAL300019970231	0	42	-1.0	-52.76	332.10	1.52	-51.24
O=C(CCCC1=NN=N[N-]1)NC1CS(=O)(=O)C12CCCCC2	REAL300019970231	1	42	-1.0	-52.75	332.15	1.53	-51.22
O=C(NC1CS(=O)(=O)C12CCCCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970232	0	45	-1.0	-59.43	356.76	4.39	-55.04
O=C(NC1CS(=O)(=O)C12CCCCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970232	1	45	-1.0	-58.62	356.41	4.31	-54.31
O=C(NC1CS(=O)(=O)C12CCCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970233	0	42	-1.0	-40.26	342.69	1.29	-38.97
O=C(NC1CS(=O)(=O)C12CCCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970233	1	42	-1.0	-40.27	342.75	1.29	-38.98
O=C(CCCC1=N[N-]N=N1)NC1=CC2=C(C=C1Cl)OCCC2	REAL300019970234	0	37	-1.0	-45.66	321.71	4.62	-41.04
O=C(CCCC1=NN=N[N-]1)NC1=CC2=C(C=C1Cl)OCCC2	REAL300019970234	1	37	-1.0	-45.66	321.77	4.63	-41.03
O=C(NC1=CC2=C(C=C1Cl)OCCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970235	0	40	-1.0	-49.97	345.17	7.51	-42.46
O=C(NC1=CC2=C(C=C1Cl)OCCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970235	1	40	-1.0	-49.75	345.27	7.52	-42.23
O=C(NC1=CC2=C(C=C1Cl)OCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970236	0	37	-1.0	-35.92	332.36	4.42	-31.50
O=C(NC1=CC2=C(C=C1Cl)OCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970236	1	37	-1.0	-36.01	332.29	4.41	-31.60
COCC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC=CCC1	REAL300019970237	0	43	-1.0	-52.16	341.74	5.88	-46.28
COCC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC=CCC1	REAL300019970237	1	43	-1.0	-51.94	341.82	5.89	-46.05
COCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC=CCC1	REAL300019970238	0	40	-1.0	-36.23	328.45	2.87	-33.36
COCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC=CCC1	REAL300019970238	1	40	-1.0	-36.21	328.52	2.89	-33.32
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C=C1OCC1CCCCC1	REAL300019970239	0	49	-1.0	-45.11	392.50	7.17	-37.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C=C1OCC1CCCCC1	REAL300019970239	1	49	-1.0	-45.14	392.56	7.18	-37.96
O=C(NC1=CC=C(F)C=C1OCC1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970240	0	49	-1.0	-35.23	403.15	6.96	-28.27
O=C(NC1=CC=C(F)C=C1OCC1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970240	1	49	-1.0	-35.23	403.08	6.95	-28.28
CNC(=O)C1COCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970241	0	40	-1.0	-41.53	325.99	3.22	-38.31
CNC(=O)C1COCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970241	1	40	-1.0	-36.70	327.32	2.99	-33.71
CNC(=O)C1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970242	0	37	-1.0	-40.99	309.05	0.80	-40.19
CNC(=O)C1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970242	1	37	-1.0	-40.93	309.12	0.80	-40.13
COC1=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2C=C1	REAL300019970243	0	38	-1.0	-49.16	326.63	2.25	-46.91
COC1=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2C=C1	REAL300019970243	1	38	-1.0	-49.14	326.57	2.24	-46.90
COC1=NC2=CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=CC=C2C=C1	REAL300019970244	0	41	-1.0	-53.95	351.30	5.12	-48.83
COC1=NC2=CC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)=CC=C2C=C1	REAL300019970244	1	41	-1.0	-53.54	351.34	5.14	-48.40
COC1=NC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2C=C1	REAL300019970245	0	38	-1.0	-38.94	336.91	2.05	-36.89
COC1=NC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2C=C1	REAL300019970245	1	38	-1.0	-38.94	336.85	2.04	-36.90
CN1N=CC=C1C12CC(C1)CN2C(=O)CCCC1=NN=N[N-]1	REAL300019970246	0	40	-1.0	-53.78	325.25	4.66	-49.12
CN1N=CC=C1C12CC(C1)CN2C(=O)CCCC1=N[N-]N=N1	REAL300019970246	1	40	-1.0	-53.81	325.20	4.65	-49.16
CN1N=CC=C1C12CC(C1)CN2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970247	0	43	-1.0	-62.55	341.96	6.85	-55.70
CN1N=CC=C1C12CC(C1)CN2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970247	1	43	-1.0	-62.38	342.07	6.85	-55.53
CN1N=CC=C1C12CC(C1)CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970248	0	40	-1.0	-40.84	332.78	4.65	-36.19
CN1N=CC=C1C12CC(C1)CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970248	1	40	-1.0	-40.86	332.71	4.64	-36.22
O=C(NC1=CN=NN1C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970249	0	35	-1.0	-56.24	304.67	5.21	-51.03
O=C(NC1=CN=NN1C1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970249	1	35	-1.0	-56.02	305.15	5.18	-50.84
COC1=CC=C(C(C)(O)CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019970250	0	43	-1.0	-47.53	353.29	0.96	-46.57
COC1=CC=C(C(C)(O)CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019970250	1	43	-1.0	-47.53	353.34	0.97	-46.56
COC1=CC=C(C(C)(O)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019970251	0	46	-1.0	-52.83	377.14	3.84	-48.99
COC1=CC=C(C(C)(O)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019970251	1	46	-1.0	-52.67	377.24	3.86	-48.81
COC1=CC=C(C(C)(O)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019970252	0	43	-1.0	-37.34	363.36	0.74	-36.60
COC1=CC=C(C(C)(O)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019970252	1	43	-1.0	-37.41	363.43	0.74	-36.67
CC(C)(CO)C1CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970253	0	45	-1.0	-55.13	336.32	4.91	-50.22
CC(C)(CO)C1CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970253	1	45	-1.0	-54.90	336.43	4.91	-49.99
CC(C)(CO)C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970254	0	42	-1.0	-39.17	323.28	2.75	-36.42
CC(C)(CO)C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970254	1	42	-1.0	-39.15	323.34	2.78	-36.37
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCOC2=CC=C(O)C=C21	REAL300019970255	0	38	-1.0	-50.13	314.76	0.43	-49.70
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCOC2=CC=C(O)C=C21	REAL300019970255	1	38	-1.0	-50.14	314.82	0.45	-49.69
O=C(N[C@@H]1CCOC2=CC=C(O)C=C21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970256	0	41	-1.0	-58.74	339.46	3.31	-55.43
O=C(N[C@@H]1CCOC2=CC=C(O)C=C21)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970256	1	41	-1.0	-58.60	339.53	3.33	-55.27
O=C(N[C@@H]1CCOC2=CC=C(O)C=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970257	0	38	-1.0	-39.82	325.31	0.23	-39.59
O=C(N[C@@H]1CCOC2=CC=C(O)C=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970257	1	38	-1.0	-39.77	325.38	0.24	-39.53
CC12CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)(CO1)C2	REAL300019970258	0	40	-1.0	-55.86	321.68	4.48	-51.38
CC12CCC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)(CO1)C2	REAL300019970258	1	40	-1.0	-55.39	322.16	4.47	-50.92
CC12CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(CO1)C2	REAL300019970259	0	37	-1.0	-36.39	308.10	1.32	-35.07
CC12CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(CO1)C2	REAL300019970259	1	37	-1.0	-36.38	308.17	1.33	-35.05
C[C@H](ONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=NC=C1	REAL300019970260	0	38	-1.0	-59.09	331.50	6.48	-52.61
C[C@H](ONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=NC=C1	REAL300019970260	1	38	-1.0	-58.82	331.60	6.48	-52.34
C[C@H](ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=NC=C1	REAL300019970261	0	35	-1.0	-38.27	317.79	3.33	-34.94
C[C@H](ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=NC=C1	REAL300019970261	1	35	-1.0	-38.24	317.86	3.34	-34.90
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970262	0	43	-1.0	-56.83	342.64	6.37	-50.46
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970262	1	43	-1.0	-56.64	342.74	6.37	-50.27
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970263	0	40	-1.0	-37.73	327.92	4.11	-33.62
COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970263	1	40	-1.0	-37.74	327.98	4.11	-33.63
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)CCCC1=N[N-]N=N1	REAL300019970264	0	44	-1.0	-52.48	363.44	7.76	-44.72
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)CCCC1=NN=N[N-]1	REAL300019970264	1	44	-1.0	-52.48	363.50	7.78	-44.70
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970265	0	47	-1.0	-52.46	380.54	9.94	-42.52
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970265	1	47	-1.0	-50.97	379.46	10.08	-40.89
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970266	0	44	-1.0	-41.52	360.34	8.23	-33.29
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970266	1	44	-1.0	-41.43	360.40	8.23	-33.20
O=C(CCCC1=N[N-]N=N1)N1CC[C@@H](O)C[C@H]1C1=CC=CC=C1	REAL300019970267	0	43	-1.0	-48.96	338.63	3.59	-45.37
O=C(CCCC1=NN=N[N-]1)N1CC[C@@H](O)C[C@H]1C1=CC=CC=C1	REAL300019970267	1	43	-1.0	-49.00	338.69	3.60	-45.40
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[C@@H](O)C[C@H]1C1=CC=CC=C1	REAL300019970268	0	46	-1.0	-56.92	358.72	6.13	-50.79
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[C@@H](O)C[C@H]1C1=CC=CC=C1	REAL300019970268	1	46	-1.0	-57.44	358.79	6.10	-51.34
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[C@@H](O)C[C@H]1C1=CC=CC=C1	REAL300019970269	0	43	-1.0	-37.87	347.12	3.76	-34.11
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[C@@H](O)C[C@H]1C1=CC=CC=C1	REAL300019970269	1	43	-1.0	-37.89	347.19	3.79	-34.10
O=C(CCCC1=N[N-]N=N1)NC1CCNC(=O)C2=C1C=CN2	REAL300019970270	0	38	-1.0	-53.01	314.32	-0.14	-53.15
O=C(CCCC1=NN=N[N-]1)NC1CCNC(=O)C2=C1C=CN2	REAL300019970270	1	38	-1.0	-52.98	314.38	-0.13	-53.11
O=C(NC1CCNC(=O)C2=C1C=CN2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970271	0	41	-1.0	-58.85	338.70	2.79	-56.06
O=C(NC1CCNC(=O)C2=C1C=CN2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970271	1	41	-1.0	-58.62	338.79	2.80	-55.82
O=C(NC1CCNC(=O)C2=C1C=CN2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970272	0	38	-1.0	-41.97	324.01	-0.41	-42.38
O=C(NC1CCNC(=O)C2=C1C=CN2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970272	1	38	-1.0	-41.93	324.08	-0.40	-42.33
COC1=CC2=C(C=C1O)CCN(C(=O)CCCC1=N[N-]N=N1)C2C	REAL300019970273	0	44	-1.0	-51.57	354.58	3.60	-47.97
COC1=CC2=C(C=C1O)CCN(C(=O)CCCC1=NN=N[N-]1)C2C	REAL300019970273	1	44	-1.0	-51.53	354.65	3.62	-47.91
COC1=CC2=C(C=C1O)CCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2C	REAL300019970274	0	47	-1.0	-41.32	370.60	6.30	-35.02
COC1=CC2=C(C=C1O)CCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2C	REAL300019970274	1	47	-1.0	-41.07	370.82	6.31	-34.76
COC1=CC2=C(C=C1O)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2C	REAL300019970275	0	44	-1.0	-38.57	361.72	3.93	-34.64
COC1=CC2=C(C=C1O)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2C	REAL300019970275	1	44	-1.0	-38.54	361.80	3.95	-34.59
CC(NC(=O)CCCC1=NN=N[N-]1)C1(N2C=C(Br)C=N2)CC1	REAL300019970276	0	39	-1.0	-47.94	346.28	3.86	-44.08
CC(NC(=O)CCCC1=N[N-]N=N1)C1(N2C=C(Br)C=N2)CC1	REAL300019970276	1	39	-1.0	-47.89	346.23	3.84	-44.05
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300019970277	0	49	-1.0	-51.82	385.50	3.72	-48.10
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300019970277	1	49	-1.0	-51.83	385.56	3.73	-48.10
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970278	0	52	-1.0	-53.43	409.46	6.12	-47.31
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970278	1	52	-1.0	-53.25	409.56	6.12	-47.13
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970279	0	49	-1.0	-40.22	395.87	3.50	-36.72
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970279	1	49	-1.0	-40.28	395.94	3.51	-36.77
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300019970280	0	40	-1.0	-50.14	350.67	4.79	-45.35
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300019970280	1	40	-1.0	-50.18	350.72	4.80	-45.38
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970281	0	43	-1.0	-56.06	374.93	7.74	-48.32
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970281	1	43	-1.0	-55.85	375.08	7.74	-48.11
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970282	0	40	-1.0	-38.72	361.22	4.57	-34.15
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970282	1	40	-1.0	-38.69	361.28	4.58	-34.11
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300019970283	0	36	-1.0	-48.99	327.48	5.35	-43.64
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300019970283	1	36	-1.0	-48.98	327.54	5.37	-43.61
CC1(CO)CC(F)(F)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970284	0	39	-1.0	-41.90	318.48	5.15	-36.75
CC1(CO)CC(F)(F)CN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970284	1	39	-1.0	-41.79	318.59	5.16	-36.63
CC1(CO)CC(F)(F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970285	0	36	-1.0	-39.11	303.68	2.90	-36.21
CC1(CO)CC(F)(F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970285	1	36	-1.0	-39.11	303.75	2.90	-36.21
O=C(CCCC1=N[N-]N=N1)NC1CCCCC1C1=CC=CC=C1	REAL300019970286	0	45	-1.0	-47.84	348.83	7.74	-40.10
O=C(CCCC1=NN=N[N-]1)NC1CCCCC1C1=CC=CC=C1	REAL300019970286	1	45	-1.0	-47.82	348.88	7.75	-40.07
O=C(NC1CCCCC1C1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970287	0	48	-1.0	-54.10	373.27	10.65	-43.45
O=C(NC1CCCCC1C1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970287	1	48	-1.0	-53.84	373.40	10.63	-43.21
O=C(NC1CCCCC1C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970288	0	45	-1.0	-37.05	359.42	7.53	-29.52
O=C(NC1CCCCC1C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970288	1	45	-1.0	-37.03	359.48	7.54	-29.49
COC(=O)C1(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CCC1	REAL300019970289	0	45	-1.0	-50.89	368.02	6.42	-44.47
COC(=O)C1(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CCC1	REAL300019970289	1	45	-1.0	-50.91	368.07	6.43	-44.48
COC(=O)C1(C2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2)CCC1	REAL300019970290	0	48	-1.0	-57.06	392.76	9.29	-47.77
COC(=O)C1(C2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C=C2)CCC1	REAL300019970290	1	48	-1.0	-56.85	392.81	9.31	-47.54
COC(=O)C1(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CCC1	REAL300019970291	0	45	-1.0	-38.43	378.40	6.22	-32.21
COC(=O)C1(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CCC1	REAL300019970291	1	45	-1.0	-38.54	378.33	6.22	-32.32
CC1=C(Br)C=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL300019970292	0	35	-1.0	-47.42	306.57	5.29	-42.13
CC1=C(Br)C=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL300019970292	1	35	-1.0	-47.42	306.63	5.30	-42.12
CC1=C(Br)C=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1C	REAL300019970293	0	38	-1.0	-53.05	332.36	8.27	-44.78
CC1=C(Br)C=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1C	REAL300019970293	1	38	-1.0	-52.85	331.95	8.26	-44.59
CC1=C(Br)C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C	REAL300019970294	0	35	-1.0	-34.79	317.23	5.09	-29.70
CC1=C(Br)C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C	REAL300019970294	1	35	-1.0	-34.80	317.17	5.08	-29.72
O=C(CCCC1=N[N-]N=N1)NC12CC3CC(CC(CO)(C3)C1)C2	REAL300019970295	0	47	-1.0	-48.85	344.28	2.07	-46.78
O=C(CCCC1=NN=N[N-]1)NC12CC3CC(CC(CO)(C3)C1)C2	REAL300019970295	1	47	-1.0	-48.86	344.33	2.08	-46.78
O=C(NC12CC3CC(CC(CO)(C3)C1)C2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970296	0	50	-1.0	-55.53	368.61	4.99	-50.54
O=C(NC12CC3CC(CC(CO)(C3)C1)C2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970296	1	50	-1.0	-55.15	369.08	4.97	-50.18
O=C(NC12CC3CC(CC(CO)(C3)C1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970297	0	47	-1.0	-37.64	354.86	1.87	-35.77
O=C(NC12CC3CC(CC(CO)(C3)C1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970297	1	47	-1.0	-37.62	354.93	1.87	-35.75
CN(C(=O)CCCC1=N[N-]N=N1)C(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL300019970298	0	44	-1.0	-49.38	375.30	8.08	-41.30
CN(C(=O)CCCC1=NN=N[N-]1)C(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL300019970298	1	44	-1.0	-49.41	375.35	8.10	-41.31
O=C(CCCC1=N[N-]N=N1)NC1(C(F)(F)F)CC2(CCC2)C1	REAL300019970299	0	39	-1.0	-48.24	326.44	4.69	-43.55
O=C(CCCC1=NN=N[N-]1)NC1(C(F)(F)F)CC2(CCC2)C1	REAL300019970299	1	39	-1.0	-48.34	326.50	4.71	-43.63
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970300	0	39	-1.0	-35.98	336.49	4.40	-31.58
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970300	1	39	-1.0	-35.91	336.56	4.41	-31.50
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCCC12CC2	REAL300019970301	0	40	-1.0	-37.68	312.56	5.80	-31.88
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCCC12CC2	REAL300019970301	1	40	-1.0	-37.51	312.54	5.80	-31.71
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCCC12CC2	REAL300019970302	0	37	-1.0	-38.60	296.40	4.02	-34.58
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCCC12CC2	REAL300019970302	1	37	-1.0	-38.58	296.47	4.02	-34.56
O=C(NC1(CCC(F)(F)F)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970303	0	38	-1.0	-55.28	334.30	6.72	-48.56
O=C(NC1(CCC(F)(F)F)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970303	1	38	-1.0	-55.06	334.43	6.81	-48.25
O=C(NC1(CCC(F)(F)F)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970304	0	35	-1.0	-36.95	320.76	3.68	-33.27
O=C(NC1(CCC(F)(F)F)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970304	1	35	-1.0	-36.90	320.83	3.67	-33.23
CC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019970305	0	40	-1.0	-67.66	338.91	7.64	-60.02
CC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019970305	1	40	-1.0	-67.43	339.01	7.66	-59.77
CC(=O)C1=CC=C(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019970306	0	37	-1.0	-44.97	322.61	4.41	-40.56
CC(=O)C1=CC=C(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019970306	1	37	-1.0	-44.99	322.67	4.41	-40.58
NC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300019970307	0	34	-1.0	-35.74	319.15	1.71	-34.03
NC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300019970307	1	34	-1.0	-35.72	319.22	1.72	-34.00
CC(C)(C)OC(=O)N1CCC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300019970308	0	53	-1.0	-49.97	410.40	6.03	-43.94
CC(C)(C)OC(=O)N1CCC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300019970308	1	53	-1.0	-49.99	410.46	6.05	-43.94
CS(=O)(=O)NCC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019970309	0	43	-1.0	-57.73	379.02	0.28	-57.45
CS(=O)(=O)NCC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019970309	1	43	-1.0	-57.76	379.08	0.30	-57.46
CS(=O)(=O)NCC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019970310	0	43	-1.0	-46.04	389.60	0.08	-45.96
CS(=O)(=O)NCC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019970310	1	43	-1.0	-46.06	389.67	0.09	-45.97
COC(=O)CC1(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019970311	0	41	-1.0	-54.27	337.44	6.69	-47.58
COC(=O)CC1(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019970311	1	41	-1.0	-54.08	337.53	6.69	-47.39
COC(=O)CC1(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019970312	0	38	-1.0	-43.35	323.53	5.05	-38.30
COC(=O)CC1(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019970312	1	38	-1.0	-43.33	323.60	5.06	-38.27
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1CCN1CCOCC1	REAL300019970313	0	45	-1.0	-49.33	363.50	1.37	-47.96
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1CCN1CCOCC1	REAL300019970313	1	45	-1.0	-49.36	363.56	1.38	-47.98
O=C(NC1=CC=NN1CCN1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970314	0	48	-1.0	-53.55	387.96	4.28	-49.27
O=C(NC1=CC=NN1CCN1CCOCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970314	1	48	-1.0	-53.37	388.05	4.30	-49.07
O=C(NC1=CC=NN1CCN1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970315	0	45	-1.0	-36.51	374.17	1.16	-35.35
O=C(NC1=CC=NN1CCN1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970315	1	45	-1.0	-36.49	374.24	1.17	-35.32
CN1N=CC=C1C1=NNN=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019970316	0	35	-1.0	-51.33	312.28	0.80	-50.53
CN1N=CC=C1C1=NNN=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019970316	1	35	-1.0	-51.34	312.33	0.82	-50.52
CN1N=CC=C1C1=NNN=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970317	0	38	-1.0	-55.88	337.07	3.70	-52.18
CN1N=CC=C1C1=NNN=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970317	1	38	-1.0	-55.67	337.16	3.72	-51.95
CN1N=CC=C1C1=NNN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970318	0	35	-1.0	-38.77	322.83	0.58	-38.19
CN1N=CC=C1C1=NNN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970318	1	35	-1.0	-38.73	322.90	0.61	-38.12
O=C(NC12COC(C1)CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970319	0	40	-1.0	-55.34	310.87	4.47	-50.87
O=C(NC12COC(C1)CCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970319	1	40	-1.0	-55.13	310.97	4.47	-50.66
O=C(NC12COC(C1)CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970320	0	37	-1.0	-34.89	297.02	1.31	-33.58
O=C(NC12COC(C1)CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970320	1	37	-1.0	-34.85	297.09	1.32	-33.53
CC1=NN(C2=CC=CC=C2)N=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL300019970321	0	44	-1.0	-48.24	374.37	4.57	-43.67
CC1=NN(C2=CC=CC=C2)N=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL300019970321	1	44	-1.0	-48.27	374.43	4.58	-43.69
CC1=NN(C2=CC=CC=C2)N=C1C(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970322	0	47	-1.0	-52.73	398.11	7.48	-45.25
CC1=NN(C2=CC=CC=C2)N=C1C(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970322	1	47	-1.0	-52.52	398.21	7.48	-45.04
CC1=NN(C2=CC=CC=C2)N=C1C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970323	0	44	-1.0	-40.32	384.39	4.34	-35.98
CC1=NN(C2=CC=CC=C2)N=C1C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970323	1	44	-1.0	-40.32	384.46	4.35	-35.97
CC(C)C1=C(C2=CC=CC=C2)NN=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019970324	0	45	-1.0	-53.12	367.16	6.55	-46.57
CC(C)C1=C(C2=CC=CC=C2)NN=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019970324	1	45	-1.0	-53.15	367.22	6.56	-46.59
CC(C)C1=C(C2=CC=CC=C2)NN=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970325	0	48	-1.0	-59.96	391.34	9.48	-50.48
CC(C)C1=C(C2=CC=CC=C2)NN=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970325	1	48	-1.0	-59.74	391.44	9.49	-50.25
CC(C)C1=C(C2=CC=CC=C2)NN=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970326	0	45	-1.0	-39.77	377.70	6.33	-33.44
CC(C)C1=C(C2=CC=CC=C2)NN=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970326	1	45	-1.0	-39.78	377.76	6.35	-33.43
COC(=O)C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019970327	0	41	-1.0	-51.96	359.12	5.52	-46.44
COC(=O)C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019970327	1	41	-1.0	-51.98	359.18	5.54	-46.44
COC(=O)C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970328	0	44	-1.0	-58.33	383.47	8.46	-49.87
COC(=O)C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970328	1	44	-1.0	-57.61	383.95	8.44	-49.17
COC(=O)C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970329	0	41	-1.0	-40.69	369.76	5.32	-35.37
COC(=O)C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970329	1	41	-1.0	-40.68	369.83	5.33	-35.35
O=C(CCCC1=N[N-]N=N1)NC1CCCC(C(F)F)CC1	REAL300019970330	0	41	-1.0	-48.69	324.43	4.31	-44.38
O=C(CCCC1=NN=N[N-]1)NC1CCCC(C(F)F)CC1	REAL300019970330	1	41	-1.0	-48.68	324.49	4.33	-44.35
O=C(NC1CCCC(C(F)F)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970331	0	44	-1.0	-55.56	348.68	7.33	-48.23
O=C(NC1CCCC(C(F)F)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970331	1	44	-1.0	-55.67	349.15	7.33	-48.34
O=C(NC1CCCC(C(F)F)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970332	0	41	-1.0	-37.29	335.20	4.10	-33.19
O=C(NC1CCCC(C(F)F)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970332	1	41	-1.0	-37.29	335.27	4.12	-33.17
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2CCCC(C2)C1	REAL300019970333	0	45	-1.0	-54.39	325.84	8.87	-45.52
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2CCCC(C2)C1	REAL300019970333	1	45	-1.0	-55.17	325.87	8.81	-46.36
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2CCCC(C2)C1	REAL300019970334	0	42	-1.0	-35.73	311.31	6.63	-29.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCCC(C2)C1	REAL300019970334	1	42	-1.0	-35.72	311.38	6.63	-29.09
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300019970335	0	40	-1.0	-37.46	318.15	3.61	-33.85
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300019970335	1	40	-1.0	-37.30	318.26	3.63	-33.67
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300019970336	0	37	-1.0	-37.75	301.10	1.72	-36.03
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300019970336	1	37	-1.0	-37.75	301.16	1.73	-36.02
CCN(C(=O)CCCC1=N[N-]N=N1)C(C)CC1=CC=C(F)C=C1F	REAL300019970337	0	44	-1.0	-46.13	355.14	7.40	-38.73
CCN(C(=O)CCCC1=NN=N[N-]1)C(C)CC1=CC=C(F)C=C1F	REAL300019970337	1	44	-1.0	-46.16	355.20	7.42	-38.74
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)CC1=CC=C(F)C=C1F	REAL300019970338	0	47	-1.0	-53.68	381.51	10.56	-43.12
CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)CC1=CC=C(F)C=C1F	REAL300019970338	1	47	-1.0	-39.69	378.59	10.31	-29.38
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)CC1=CC=C(F)C=C1F	REAL300019970339	0	44	-1.0	-40.20	360.02	8.81	-31.39
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)CC1=CC=C(F)C=C1F	REAL300019970339	1	44	-1.0	-40.16	360.10	8.81	-31.35
C=CCN(CCC(=O)OC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970340	0	41	-1.0	-54.01	345.22	7.28	-46.73
C=CCN(CCC(=O)OC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970340	1	41	-1.0	-55.07	345.43	7.34	-47.73
C=CCN(CCC(=O)OC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970341	0	38	-1.0	-38.39	332.62	5.49	-32.90
C=CCN(CCC(=O)OC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970341	1	38	-1.0	-38.35	332.68	5.49	-32.86
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=C(Cl)N=C2)CCC1	REAL300019970342	0	38	-1.0	-49.35	328.41	4.03	-45.32
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=C(Cl)N=C2)CCC1	REAL300019970342	1	38	-1.0	-49.32	328.35	4.02	-45.30
O=C(NC1(C2=CC=C(Cl)N=C2)CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970343	0	41	-1.0	-55.00	353.35	7.11	-47.89
O=C(NC1(C2=CC=C(Cl)N=C2)CCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970343	1	41	-1.0	-54.67	352.89	6.88	-47.79
O=C(NC1(C2=CC=C(Cl)N=C2)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970344	0	38	-1.0	-40.42	338.91	3.79	-36.63
O=C(NC1(C2=CC=C(Cl)N=C2)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970344	1	38	-1.0	-40.41	338.84	3.79	-36.62
CS(=O)(=NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300019970345	0	34	-1.0	-56.50	324.61	2.90	-53.60
CS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300019970345	1	34	-1.0	-56.44	324.67	2.91	-53.53
CN1CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2C1=O	REAL300019970346	0	37	-1.0	-52.07	315.26	3.32	-48.75
CN1CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2C1=O	REAL300019970346	1	37	-1.0	-52.09	315.32	3.34	-48.75
CN1CC2=CC=CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=C2C1=O	REAL300019970347	0	40	-1.0	-57.22	339.66	6.24	-50.98
CN1CC2=CC=CC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)=C2C1=O	REAL300019970347	1	40	-1.0	-57.00	339.76	6.26	-50.74
CN1CC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2C1=O	REAL300019970348	0	37	-1.0	-46.36	325.94	3.12	-43.24
CN1CC2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2C1=O	REAL300019970348	1	37	-1.0	-46.43	325.87	3.11	-43.32
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019970349	0	45	-1.0	-52.54	379.32	5.98	-46.56
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019970349	1	45	-1.0	-52.54	379.37	5.99	-46.55
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970350	0	48	-1.0	-58.38	399.99	8.90	-49.48
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970350	1	48	-1.0	-58.20	400.06	8.91	-49.29
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970351	0	45	-1.0	-40.35	386.83	5.63	-34.72
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970351	1	45	-1.0	-40.23	386.88	5.64	-34.59
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)[C@@](C)(O)C1=CC=CC=C1	REAL300019970352	0	42	-1.0	-46.57	338.24	2.63	-43.94
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)[C@@](C)(O)C1=CC=CC=C1	REAL300019970352	1	42	-1.0	-46.59	338.29	2.64	-43.95
C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[C@@](C)(O)C1=CC=CC=C1	REAL300019970353	0	45	-1.0	-52.31	362.61	5.54	-46.77
C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[C@@](C)(O)C1=CC=CC=C1	REAL300019970353	1	45	-1.0	-52.08	362.71	5.56	-46.52
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@@](C)(O)C1=CC=CC=C1	REAL300019970354	0	42	-1.0	-36.23	348.83	2.43	-33.80
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@](C)(O)C1=CC=CC=C1	REAL300019970354	1	42	-1.0	-36.14	348.90	2.44	-33.70
CC1=CC(O)=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1Cl	REAL300019970355	0	36	-1.0	-54.35	322.28	4.64	-49.71
CC1=CC(O)=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1Cl	REAL300019970355	1	36	-1.0	-54.13	322.38	4.64	-49.49
CC1=CC(O)=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Cl	REAL300019970356	0	33	-1.0	-36.68	309.33	1.51	-35.17
CC1=CC(O)=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300019970356	1	33	-1.0	-36.59	309.40	1.52	-35.07
COC1=CC=C(S(=O)(=O)C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019970357	0	49	-1.0	-56.46	403.18	3.49	-52.97
COC1=CC=C(S(=O)(=O)C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019970357	1	49	-1.0	-56.50	403.23	3.50	-53.00
CC1CC(F)(F)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970358	0	35	-1.0	-38.63	291.19	6.08	-32.55
CC1CC(F)(F)CN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970358	1	35	-1.0	-38.82	290.74	6.07	-32.75
C[NH+](C)CCN(CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970359	0	44	0.0	-61.79	343.30	4.16	-57.63
C[NH+](C)CCN(CCO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970359	1	44	0.0	-61.69	343.39	4.16	-57.53
C[NH+](C)CCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970360	0	41	0.0	-56.90	332.42	2.23	-54.67
C[NH+](C)CCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970360	1	41	0.0	-56.89	332.49	2.25	-54.64
CC(=O)NC1=C(F)C=CC(NC(=O)CCCC2=N[N-]N=N2)=C1F	REAL300019970361	0	36	-1.0	-50.66	319.73	2.48	-48.18
CC(=O)NC1=C(F)C=CC(NC(=O)CCCC2=NN=N[N-]2)=C1F	REAL300019970361	1	36	-1.0	-50.67	319.79	2.50	-48.17
CC(=O)NC1=C(F)C=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1F	REAL300019970362	0	39	-1.0	-55.70	343.00	5.33	-50.37
CC(=O)NC1=C(F)C=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1F	REAL300019970362	1	39	-1.0	-54.84	342.72	5.36	-49.48
CC(=O)NC1=C(F)C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1F	REAL300019970363	0	36	-1.0	-42.18	330.32	2.28	-39.90
CC(=O)NC1=C(F)C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1F	REAL300019970363	1	36	-1.0	-42.21	330.25	2.27	-39.94
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300019970364	0	33	-2.0	-98.01	317.65	3.41	-94.60
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300019970364	1	33	-2.0	-98.00	317.71	3.43	-94.57
O=C(NC1=NN=C(C2=CC=CC(F)=C2)S1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970365	0	37	-1.0	-60.33	346.16	7.54	-52.79
O=C(NC1=NN=C(C2=CC=CC(F)=C2)S1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970365	1	37	-1.0	-60.18	346.22	7.56	-52.62
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970366	0	33	-2.0	-88.60	329.58	3.25	-85.35
O=C(NC1=NN=C(C2=CC=CC(F)=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970366	1	34	-1.0	-39.49	331.99	4.44	-35.05
O=C(NC1=NN=C(C2=CC=CC(F)=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970366	1	34	-1.0	-39.46	332.06	4.45	-35.01
O=C(CCCC1=N[N-]N=N1)N1C[C@H](C2CCCCC2)C[C@H]1C(F)(F)F	REAL300019970367	0	48	-1.0	-49.14	372.64	7.56	-41.58
O=C(CCCC1=NN=N[N-]1)N1C[C@H](C2CCCCC2)C[C@H]1C(F)(F)F	REAL300019970367	1	48	-1.0	-49.17	372.69	7.58	-41.59
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@H](C2CCCCC2)C[C@H]1C(F)(F)F	REAL300019970368	0	48	-1.0	-37.24	380.09	7.82	-29.42
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H](C2CCCCC2)C[C@H]1C(F)(F)F	REAL300019970368	1	48	-1.0	-37.27	380.15	7.84	-29.43
CC(C)(C)OC(=O)NCCOC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019970369	0	52	-1.0	-55.65	427.30	3.12	-52.53
CC(C)(C)OC(=O)NCCOC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019970369	1	52	-1.0	-55.65	427.36	3.13	-52.52
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=CC=NO2)CC1	REAL300019970370	0	41	-1.0	-59.88	335.91	7.36	-52.52
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C2=CC=NO2)CC1	REAL300019970370	1	41	-1.0	-59.86	335.91	7.32	-52.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=CC=NO2)CC1	REAL300019970371	0	38	-1.0	-39.54	320.25	5.05	-34.49
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=CC=NO2)CC1	REAL300019970371	1	38	-1.0	-39.54	320.32	5.05	-34.49
CC(C)N(CC(=O)N(C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970372	0	44	-1.0	-45.75	347.53	6.10	-39.65
CC(C)N(CC(=O)N(C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970372	1	44	-1.0	-45.59	347.72	6.09	-39.50
CC(C)N(CC(=O)N(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970373	0	41	-1.0	-42.63	334.01	4.19	-38.44
CC(C)N(CC(=O)N(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970373	1	41	-1.0	-42.62	334.07	4.21	-38.41
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2CCC(=O)NC2)N=C1	REAL300019970374	0	40	-1.0	-55.81	333.45	0.35	-55.46
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2CCC(=O)NC2)N=C1	REAL300019970374	1	40	-1.0	-55.78	333.39	0.34	-55.44
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970375	0	43	-1.0	-61.91	357.75	3.26	-58.65
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970375	1	43	-1.0	-61.67	358.22	3.24	-58.43
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970376	0	40	-1.0	-42.57	344.06	0.15	-42.42
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970376	1	40	-1.0	-42.64	343.99	0.14	-42.50
CC1=CN=C(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)S1	REAL300019970377	0	34	-1.0	-60.47	298.52	6.89	-53.58
CC1=CN=C(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)S1	REAL300019970377	1	34	-1.0	-60.27	298.66	6.90	-53.37
CC1=CN=C(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019970378	0	31	-1.0	-39.29	285.17	4.73	-34.56
CC1=CN=C(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019970378	1	31	-1.0	-39.34	285.11	4.72	-34.62
O=C(CCCC1=N[N-]N=N1)NC(CF)C1=CC=C(F)C=C1F	REAL300019970379	0	35	-1.0	-50.20	316.22	4.98	-45.22
O=C(CCCC1=NN=N[N-]1)NC(CF)C1=CC=C(F)C=C1F	REAL300019970379	1	35	-1.0	-50.23	316.27	4.99	-45.24
O=C(NC(CF)C1=CC=C(F)C=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970380	0	38	-1.0	-59.15	336.36	7.50	-51.65
O=C(NC(CF)C1=CC=C(F)C=C1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970380	1	38	-1.0	-58.99	336.45	7.51	-51.48
O=C(NC(CF)C1=CC=C(F)C=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970381	0	35	-1.0	-36.81	326.81	4.78	-32.03
O=C(NC(CF)C1=CC=C(F)C=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970381	1	35	-1.0	-36.79	326.87	4.78	-32.01
COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CCCC1=N[N-]N=N1	REAL300019970382	0	42	-1.0	-50.90	328.28	4.84	-46.06
COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CCCC1=NN=N[N-]1	REAL300019970382	1	42	-1.0	-50.91	328.33	4.86	-46.05
COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970383	0	45	-1.0	-53.75	353.82	7.76	-45.99
COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970383	1	45	-1.0	-54.01	354.96	7.74	-46.27
COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970384	0	42	-1.0	-41.33	340.43	4.63	-36.70
COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970384	1	42	-1.0	-41.32	340.50	4.64	-36.68
CCOC(=O)C(CC1=CSC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019970385	0	41	-1.0	-51.29	365.45	5.29	-46.00
CCOC(=O)C(CC1=CSC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019970385	1	41	-1.0	-51.27	365.51	5.31	-45.96
CCOC(=O)C(CC1=CSC=C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970386	0	44	-1.0	-49.36	381.83	7.73	-41.63
CCOC(=O)C(CC1=CSC=C1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970386	1	44	-1.0	-49.73	382.31	7.73	-42.00
CCOC(=O)C(CC1=CSC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970387	0	41	-1.0	-37.99	368.10	4.60	-33.39
CCOC(=O)C(CC1=CSC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970387	1	41	-1.0	-38.00	368.16	4.62	-33.38
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1	REAL300019970388	0	47	-1.0	-49.33	369.36	4.66	-44.67
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1	REAL300019970388	1	47	-1.0	-49.38	369.41	4.68	-44.70
O=C(NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970389	0	47	-1.0	-37.71	380.27	4.46	-33.25
O=C(NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970389	1	47	-1.0	-37.70	380.20	4.45	-33.25
CCOC(=O)C1CCC2=C1N=C(NC(=O)CCCC1=N[N-]N=N1)S2	REAL300019970390	0	41	-1.0	-48.33	359.01	5.02	-43.31
CCOC(=O)C1CCC2=C1N=C(NC(=O)CCCC1=NN=N[N-]1)S2	REAL300019970390	1	41	-1.0	-48.34	359.07	5.03	-43.31
CCOC(=O)C1CCC2=C1N=C(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)S2	REAL300019970391	0	44	-1.0	-51.53	383.30	7.96	-43.57
CCOC(=O)C1CCC2=C1N=C(NC(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)S2	REAL300019970391	1	44	-1.0	-51.66	383.80	7.93	-43.73
CCOC(=O)C1CCC2=C1N=C(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)S2	REAL300019970392	0	41	-1.0	-39.53	369.71	4.83	-34.70
CCOC(=O)C1CCC2=C1N=C(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)S2	REAL300019970392	1	41	-1.0	-39.49	369.78	4.84	-34.65
O=C(CCCC1=N[N-]N=N1)NC1=CN2C(=NN=C2C2=CC=C(F)C=C2)C=C1	REAL300019970393	0	41	-1.0	-52.26	358.76	7.21	-45.05
O=C(CCCC1=NN=N[N-]1)NC1=CN2C(=NN=C2C2=CC=C(F)C=C2)C=C1	REAL300019970393	1	41	-1.0	-52.29	358.81	7.23	-45.06
C[C@@H](CC1=C(F)C=CC=C1F)N(C)C(=O)CCCC1=N[N-]N=N1	REAL300019970394	0	41	-1.0	-47.80	337.61	7.16	-40.64
C[C@@H](CC1=C(F)C=CC=C1F)N(C)C(=O)CCCC1=NN=N[N-]1	REAL300019970394	1	41	-1.0	-47.77	337.67	7.17	-40.60
C[C@@H](CC1=C(F)C=CC=C1F)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970395	0	44	-1.0	-40.59	365.63	9.59	-31.00
C[C@@H](CC1=C(F)C=CC=C1F)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970395	1	44	-1.0	-40.42	365.67	9.60	-30.82
C[C@@H](CC1=C(F)C=CC=C1F)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970396	0	41	-1.0	-37.80	348.69	7.37	-30.43
C[C@@H](CC1=C(F)C=CC=C1F)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970396	1	41	-1.0	-37.75	348.76	7.37	-30.38
O=C(CCCC1=N[N-]N=N1)N1CCCCC1C1=CC=C(O)C=C1	REAL300019970397	0	43	-1.0	-49.93	338.11	4.09	-45.84
O=C(CCCC1=NN=N[N-]1)N1CCCCC1C1=CC=C(O)C=C1	REAL300019970397	1	43	-1.0	-49.94	338.17	4.10	-45.84
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCCC1C1=CC=C(O)C=C1	REAL300019970398	0	46	-1.0	-52.69	359.78	6.61	-46.08
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCCC1C1=CC=C(O)C=C1	REAL300019970398	1	46	-1.0	-52.52	359.86	6.63	-45.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1C1=CC=C(O)C=C1	REAL300019970399	0	43	-1.0	-38.07	346.56	4.28	-33.79
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1C1=CC=C(O)C=C1	REAL300019970399	1	43	-1.0	-38.05	346.63	4.28	-33.77
CCOC1=NN(C)C=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970400	0	39	-1.0	-50.58	334.36	2.89	-47.69
CCOC1=NN(C)C=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970400	1	39	-1.0	-50.43	334.45	2.91	-47.52
CCOC1=NN(C)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970401	0	36	-1.0	-37.96	320.63	-0.20	-38.16
CCOC1=NN(C)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970401	1	36	-1.0	-37.99	320.57	-0.21	-38.20
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970402	0	46	0.0	-70.93	331.58	5.82	-65.11
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970402	1	46	0.0	-71.23	331.31	5.94	-65.29
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970402	1	46	0.0	-70.94	331.64	5.83	-65.11
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970402	1	46	0.0	-71.21	331.36	5.95	-65.26
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970403	0	49	0.0	-76.67	353.49	8.34	-68.33
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970403	1	49	0.0	-73.41	353.04	8.46	-64.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970404	0	46	0.0	-55.52	339.62	6.04	-49.48
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970404	1	46	0.0	-54.87	338.80	6.12	-48.75
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970404	1	46	0.0	-55.48	339.69	6.05	-49.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970404	1	46	0.0	-54.79	338.87	6.13	-48.66
CC1=CC=C2CCCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2=C1	REAL300019970405	0	45	-1.0	-40.21	354.19	10.10	-30.11
CC1=CC=C2CCCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2=C1	REAL300019970405	1	45	-1.0	-40.06	354.19	10.12	-29.94
CC1=CC=C2CCCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300019970406	0	42	-1.0	-36.59	341.20	8.10	-28.49
CC1=CC=C2CCCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300019970406	1	42	-1.0	-36.54	341.27	8.10	-28.44
COCCOCCONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970407	0	40	-1.0	-60.77	346.40	4.07	-56.70
COCCOCCONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970407	1	40	-1.0	-60.59	346.47	4.09	-56.50
COCCOCCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970408	0	37	-1.0	-40.56	332.24	0.96	-39.60
COCCOCCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970408	1	37	-1.0	-40.62	332.31	0.98	-39.64
O=C(NC1(C2=NC=CC=N2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970409	0	37	-1.0	-59.22	323.31	5.17	-54.05
O=C(NC1(C2=NC=CC=N2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970409	1	37	-1.0	-58.68	323.61	5.23	-53.45
O=C(NC1(C2=NC=CC=N2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970410	0	34	-1.0	-41.34	308.02	2.30	-39.04
O=C(NC1(C2=NC=CC=N2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970410	1	34	-1.0	-41.34	307.96	2.30	-39.04
CN(C(=O)CCCC1=N[N-]N=N1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019970411	0	45	-1.0	-48.50	362.23	8.84	-39.66
CN(C(=O)CCCC1=NN=N[N-]1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019970411	1	45	-1.0	-48.52	362.28	8.85	-39.67
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019970412	0	48	-1.0	-39.75	385.33	11.34	-28.41
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019970412	1	48	-1.0	-39.64	385.39	11.35	-28.29
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019970413	0	45	-1.0	-37.13	369.45	8.99	-28.14
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019970413	1	45	-1.0	-37.09	369.52	9.00	-28.09
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=CC=C2)CCOC1	REAL300019970414	0	40	-1.0	-49.16	321.89	3.37	-45.79
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=CC=C2)CCOC1	REAL300019970414	1	40	-1.0	-49.13	321.94	3.39	-45.74
O=C(NC1(C2=CC=CC=C2)CCOC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970415	0	43	-1.0	-55.70	346.61	6.31	-49.39
O=C(NC1(C2=CC=CC=C2)CCOC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970415	1	43	-1.0	-55.48	346.64	6.32	-49.16
O=C(NC1(C2=CC=CC=C2)CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970416	0	40	-1.0	-37.76	332.46	3.18	-34.58
O=C(NC1(C2=CC=CC=C2)CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970416	1	40	-1.0	-37.76	332.52	3.19	-34.57
CC1=CC(I)=CC=C1NNC(=O)CCCC1=N[N-]N=N1	REAL300019970417	0	34	-1.0	-45.71	315.51	4.80	-40.91
CC1=CC(I)=CC=C1NNC(=O)CCCC1=NN=N[N-]1	REAL300019970417	1	34	-1.0	-45.70	315.56	4.81	-40.89
O=C(CCCC1=N[N-]N=N1)NNC1=NN(C2CCOCC2)C=C1	REAL300019970418	0	42	-1.0	-48.90	348.38	2.56	-46.34
O=C(CCCC1=NN=N[N-]1)NNC1=NN(C2CCOCC2)C=C1	REAL300019970418	1	42	-1.0	-48.93	348.43	2.57	-46.36
O=C(NNC1=NN(C2CCOCC2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970419	0	45	-1.0	-53.47	372.75	5.41	-48.06
O=C(NNC1=NN(C2CCOCC2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970419	1	45	-1.0	-53.23	372.85	5.43	-47.80
O=C(NNC1=NN(C2CCOCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970420	0	42	-1.0	-39.55	358.97	2.34	-37.21
O=C(NNC1=NN(C2CCOCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970420	1	42	-1.0	-39.56	359.04	2.34	-37.22
C[C@H]1CCCC[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970421	0	41	-1.0	-53.05	320.70	7.34	-45.71
C[C@H]1CCCC[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970421	1	41	-1.0	-52.80	321.16	7.34	-45.46
O=C(NC1CCC2=NNN=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970422	0	38	-1.0	-57.96	317.69	3.24	-54.72
O=C(NC1CCC2=NNN=C2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970422	1	38	-1.0	-57.74	317.79	3.24	-54.50
O=C(NC1CCC2=NNN=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970423	0	35	-1.0	-38.88	303.96	0.09	-38.79
O=C(NC1CCC2=NNN=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970423	1	35	-1.0	-38.83	304.03	0.10	-38.73
O=C(NC1=CC=C2C=CNC(=O)C2=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970424	0	38	-1.0	-72.94	329.02	5.56	-67.38
O=C(NC1=CC=C2C=CNC(=O)C2=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970424	1	38	-1.0	-71.82	328.52	5.54	-66.28
O=C(NC1=CC=C2C=CNC(=O)C2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970425	0	35	-1.0	-48.76	315.02	2.40	-46.36
O=C(NC1=CC=C2C=CNC(=O)C2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970425	1	35	-1.0	-48.70	315.09	2.41	-46.29
O=C(CCCC1=N[N-]N=N1)NC1CCC1C1=CC=CC=C1Cl	REAL300019970426	0	39	-1.0	-50.65	331.71	6.64	-44.01
O=C(CCCC1=NN=N[N-]1)NC1CCC1C1=CC=CC=C1Cl	REAL300019970426	1	39	-1.0	-50.67	331.76	6.65	-44.02
O=C(NC1CCC1C1=CC=CC=C1Cl)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970427	0	42	-1.0	-56.36	359.70	8.80	-47.56
O=C(NC1CCC1C1=CC=CC=C1Cl)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970427	1	42	-1.0	-55.69	358.88	8.91	-46.78
O=C(NC1CCC1C1=CC=CC=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970428	0	39	-1.0	-37.18	347.29	5.54	-31.64
O=C(NC1CCC1C1=CC=CC=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970428	1	39	-1.0	-37.14	347.35	5.55	-31.59
CC1=CC2=CC=CN=C2C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019970429	0	40	-1.0	-56.27	339.28	7.48	-48.79
CC1=CC2=CC=CN=C2C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019970429	1	40	-1.0	-56.11	339.38	7.51	-48.60
CC1=CC2=CC=CN=C2C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019970430	0	37	-1.0	-40.80	324.74	4.40	-36.40
CC1=CC2=CC=CN=C2C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019970430	1	37	-1.0	-40.81	324.68	4.40	-36.41
O=C(CCCC1=N[N-]N=N1)N1CCCC12CCCS(=O)(=O)C2	REAL300019970431	0	42	-1.0	-53.29	316.52	2.55	-50.74
O=C(CCCC1=NN=N[N-]1)N1CCCC12CCCS(=O)(=O)C2	REAL300019970431	1	42	-1.0	-53.25	316.57	2.56	-50.69
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC12CCCS(=O)(=O)C2	REAL300019970432	0	45	-1.0	-60.02	342.42	5.33	-54.69
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC12CCCS(=O)(=O)C2	REAL300019970432	1	45	-1.0	-59.82	342.50	5.35	-54.47
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC12CCCS(=O)(=O)C2	REAL300019970433	0	42	-1.0	-45.95	325.42	2.77	-43.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC12CCCS(=O)(=O)C2	REAL300019970433	1	42	-1.0	-45.91	325.48	2.77	-43.14
O=C(N[C@H]1C(=O)O[C@H]2CCC[C@@H]12)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970434	0	39	-1.0	-52.22	320.93	6.58	-45.64
O=C(N[C@H]1C(=O)O[C@H]2CCC[C@@H]12)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970434	1	39	-1.0	-51.31	320.90	6.61	-44.70
O=C(N[C@H]1C(=O)O[C@H]2CCC[C@@H]12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970435	0	36	-1.0	-38.23	306.58	3.51	-34.72
O=C(N[C@H]1C(=O)O[C@H]2CCC[C@@H]12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970435	1	36	-1.0	-38.13	306.65	3.51	-34.62
CC1=CC2=C(C=N1)CCN2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970436	0	38	-1.0	-59.38	312.26	6.79	-52.59
CC1=CC2=C(C=N1)CCN2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970436	1	38	-1.0	-59.16	312.36	6.81	-52.35
CC1=CC2=C(C=N1)CCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970437	0	35	-1.0	-37.14	300.96	4.58	-32.56
CC1=CC2=C(C=N1)CCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970437	1	35	-1.0	-37.11	301.03	4.59	-32.52
COC(=O)C1(C)CC(F)(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL300019970438	0	38	-1.0	-49.04	321.18	5.17	-43.87
COC(=O)C1(C)CC(F)(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL300019970438	1	38	-1.0	-49.01	321.24	5.19	-43.82
COC(=O)C1(C)CC(F)(F)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970439	0	41	-1.0	-39.88	341.51	7.64	-32.24
COC(=O)C1(C)CC(F)(F)CN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970439	1	41	-1.0	-39.34	341.99	7.61	-31.73
COC(=O)C1(C)CC(F)(F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970440	0	38	-1.0	-36.14	328.18	5.39	-30.75
COC(=O)C1(C)CC(F)(F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970440	1	38	-1.0	-36.09	328.24	5.39	-30.70
O=C(NC1(CO)CCSC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970441	0	37	-1.0	-49.08	311.79	2.44	-46.64
O=C(NC1(CO)CCSC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970441	1	37	-1.0	-48.97	311.87	2.46	-46.51
O=C(NC1(CO)CCSC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970442	0	34	-1.0	-36.56	297.88	-0.67	-37.23
O=C(NC1(CO)CCSC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970442	1	34	-1.0	-36.54	297.95	-0.67	-37.21
CCC(CCCO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970443	0	41	-1.0	-56.55	331.93	3.19	-53.36
CCC(CCCO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970443	1	41	-1.0	-56.35	332.00	3.20	-53.15
CC(C)CCN(CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970444	0	44	-1.0	-54.27	345.92	4.89	-49.38
CC(C)CCN(CCO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970444	1	44	-1.0	-54.05	346.01	4.89	-49.16
CC(C)CCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970445	0	41	-1.0	-35.93	335.04	2.98	-32.95
CC(C)CCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970445	1	41	-1.0	-35.87	335.10	2.99	-32.88
CSC1=CC=NC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019970446	0	35	-1.0	-57.60	314.30	7.00	-50.60
CSC1=CC=NC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019970446	1	35	-1.0	-57.40	314.39	7.02	-50.38
CSC1=CC=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019970447	0	32	-1.0	-39.39	300.45	3.83	-35.56
CSC1=CC=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019970447	1	32	-1.0	-39.39	300.38	3.83	-35.56
CN(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019970448	0	37	-1.0	-51.67	324.50	6.26	-45.41
CN(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019970448	1	37	-1.0	-51.69	324.55	6.27	-45.42
CN(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970449	0	40	-1.0	-54.38	346.18	8.76	-45.62
CN(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970449	1	40	-1.0	-55.95	346.73	8.81	-47.14
CN(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970450	0	37	-1.0	-39.97	332.37	6.65	-33.32
CN(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970450	1	37	-1.0	-40.00	332.44	6.68	-33.32
COCCC1(C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCO1	REAL300019970451	0	46	-1.0	-51.48	357.91	4.99	-46.49
COCCC1(C)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCO1	REAL300019970451	1	46	-1.0	-51.30	358.01	5.01	-46.29
COCCC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300019970452	0	43	-1.0	-35.42	343.11	2.76	-32.66
COCCC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300019970452	1	43	-1.0	-35.41	343.18	2.77	-32.64
COC1=CC=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2C)C=C1F	REAL300019970453	0	46	-1.0	-52.68	364.99	6.07	-46.61
COC1=CC=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2C)C=C1F	REAL300019970453	1	46	-1.0	-52.71	365.05	6.09	-46.62
COC1=CC=C(C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2C)C=C1F	REAL300019970454	0	49	-1.0	-58.00	385.24	8.50	-49.50
COC1=CC=C(C2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2C)C=C1F	REAL300019970454	1	49	-1.0	-58.36	385.30	8.53	-49.83
COC1=CC=C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2C)C=C1F	REAL300019970455	0	46	-1.0	-39.05	372.32	6.34	-32.71
COC1=CC=C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2C)C=C1F	REAL300019970455	1	46	-1.0	-39.06	372.39	6.33	-32.73
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(CCC2)C(F)(CO)C1	REAL300019970456	0	43	-1.0	-59.97	342.12	4.26	-55.71
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(CCC2)C(F)(CO)C1	REAL300019970456	1	43	-1.0	-58.78	342.85	4.27	-54.51
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(CCC2)C(F)(CO)C1	REAL300019970457	0	40	-1.0	-40.89	328.25	1.99	-38.90
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(CCC2)C(F)(CO)C1	REAL300019970457	1	40	-1.0	-40.88	328.32	2.02	-38.86
O=C(NC1=NC=NN1C1=CC=NC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970458	0	37	-1.0	-57.75	325.47	9.09	-48.66
O=C(NC1=NC=NN1C1=CC=NC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970458	1	37	-1.0	-57.42	325.95	9.06	-48.36
O=C(NC1=NC=NN1C1=CC=NC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970459	0	34	-1.0	-38.62	311.74	5.95	-32.67
O=C(NC1=NC=NN1C1=CC=NC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970459	1	34	-1.0	-38.58	311.81	5.96	-32.62
CC1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C(C)C=C1Cl	REAL300019970460	0	38	-1.0	-52.61	332.06	8.28	-44.33
CC1=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C(C)C=C1Cl	REAL300019970460	1	38	-1.0	-52.55	331.65	8.27	-44.28
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C(C)C=C1Cl	REAL300019970461	0	35	-1.0	-34.62	316.91	5.10	-29.52
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C(C)C=C1Cl	REAL300019970461	1	35	-1.0	-34.68	316.84	5.09	-29.59
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N(CC1=CSC=C1)C1CC1	REAL300019970462	0	39	-1.0	-48.98	328.83	8.11	-40.87
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N(CC1=CSC=C1)C1CC1	REAL300019970462	1	39	-1.0	-50.17	329.45	8.13	-42.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CC1=CSC=C1)C1CC1	REAL300019970463	0	36	-1.0	-36.65	311.63	6.73	-29.92
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CC1=CSC=C1)C1CC1	REAL300019970463	1	36	-1.0	-36.66	311.70	6.74	-29.92
CSC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019970464	0	27	-2.0	-86.43	287.51	0.60	-85.83
CSC1=NN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019970464	1	28	-1.0	-38.71	289.93	1.78	-36.93
CSC1=NN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019970464	1	28	-1.0	-38.70	289.99	1.80	-36.90
CSC1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019970464	1	27	-2.0	-86.42	287.58	0.60	-85.82
CC(C)(C)C1=CC=C(C2(NC(=O)CCCC3=N[N-]N=N3)CCC2)C=C1	REAL300019970465	0	51	-1.0	-48.48	392.90	7.74	-40.74
CC(C)(C)C1=CC=C(C2(NC(=O)CCCC3=NN=N[N-]3)CCC2)C=C1	REAL300019970465	1	51	-1.0	-48.52	392.96	7.76	-40.76
CC(C)(C)C1=CC=C(C2(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CCC2)C=C1	REAL300019970466	0	54	-1.0	-55.30	417.57	10.80	-44.50
CC(C)(C)C1=CC=C(C2(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CCC2)C=C1	REAL300019970466	1	54	-1.0	-55.17	417.21	10.57	-44.60
CC(C)(C)C1=CC=C(C2(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC2)C=C1	REAL300019970467	0	51	-1.0	-37.59	403.12	7.48	-30.11
CC(C)(C)C1=CC=C(C2(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC2)C=C1	REAL300019970467	1	51	-1.0	-37.62	403.19	7.50	-30.12
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300019970468	0	39	-1.0	-48.75	345.44	5.90	-42.85
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300019970468	1	39	-1.0	-48.81	345.49	5.91	-42.90
O=C(N[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970469	0	42	-1.0	-54.75	369.78	8.81	-45.94
O=C(N[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970469	1	42	-1.0	-54.83	370.26	8.79	-46.04
O=C(N[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970470	0	39	-1.0	-36.70	356.02	5.69	-31.01
O=C(N[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970470	1	39	-1.0	-36.70	356.09	5.69	-31.01
O=C(NC1CN(C(=O)C2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970471	0	40	-1.0	-56.70	342.79	4.95	-51.75
O=C(NC1CN(C(=O)C2CC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970471	1	40	-1.0	-56.45	342.86	4.97	-51.48
O=C(NC1CN(C(=O)C2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970472	0	37	-1.0	-39.98	328.63	1.85	-38.13
O=C(NC1CN(C(=O)C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970472	1	37	-1.0	-39.93	328.70	1.86	-38.07
O=C(NC1=NN=C(CC2CC2)S1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970473	0	37	-1.0	-61.35	334.78	6.80	-54.55
O=C(NC1=NN=C(CC2CC2)S1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970473	1	37	-1.0	-61.07	334.85	6.82	-54.25
O=C([N-]C1=NN=C(CC2CC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970474	0	33	-2.0	-88.72	318.21	2.50	-86.22
O=C(NC1=NN=C(CC2CC2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970474	1	34	-1.0	-39.50	320.69	3.71	-35.79
O=C(NC1=NN=C(CC2CC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970474	1	34	-1.0	-39.52	320.62	3.70	-35.82
O=C(NC1=CC=C(F)C(CO)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970475	0	36	-1.0	-52.91	314.66	3.75	-49.16
O=C(NC1=CC=C(F)C(CO)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970475	1	36	-1.0	-52.88	314.58	3.81	-49.07
O=C(NC1=CC=C(F)C(CO)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970476	0	33	-1.0	-36.29	300.46	0.71	-35.58
O=C(NC1=CC=C(F)C(CO)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970476	1	33	-1.0	-36.33	300.40	0.69	-35.64
CC1(C)NC(=O)N(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1=O	REAL300019970477	0	37	-1.0	-62.45	325.11	2.25	-60.20
CC1(C)NC(=O)N(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1=O	REAL300019970477	1	37	-1.0	-62.20	325.21	2.27	-59.93
CC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300019970478	0	33	-2.0	-99.70	303.92	-0.66	-100.36
CC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300019970478	1	33	-2.0	-99.67	303.98	-0.64	-100.31
O=C(NC1(C2CCSCC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970479	0	43	-1.0	-53.35	340.45	7.66	-45.69
O=C(NC1(C2CCSCC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970479	1	43	-1.0	-53.18	340.55	7.66	-45.52
O=C(NC1(C2CCSCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970480	0	40	-1.0	-35.98	326.72	4.52	-31.46
O=C(NC1(C2CCSCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970480	1	40	-1.0	-35.99	326.79	4.54	-31.45
N#CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300019970481	0	36	-1.0	-54.47	325.04	4.62	-49.85
N#CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300019970481	1	36	-1.0	-54.45	325.10	4.63	-49.82
N#CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=C1C(F)(F)F	REAL300019970482	0	39	-1.0	-60.39	349.93	7.56	-52.83
N#CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=C1C(F)(F)F	REAL300019970482	1	39	-1.0	-60.20	350.05	7.56	-52.64
N#CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1C(F)(F)F	REAL300019970483	0	36	-1.0	-39.34	335.59	4.43	-34.91
N#CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1C(F)(F)F	REAL300019970483	1	36	-1.0	-39.34	335.66	4.43	-34.91
CC12CC(C#N)(C1)C1(CN(C(=O)CCCC3=N[N-]N=N3)C1)O2	REAL300019970484	0	39	-1.0	-52.71	331.97	3.37	-49.34
CC12CC(C#N)(C1)C1(CN(C(=O)CCCC3=NN=N[N-]3)C1)O2	REAL300019970484	1	39	-1.0	-52.75	332.02	3.39	-49.36
CC12CC(C#N)(C1)C1(CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C1)O2	REAL300019970485	0	42	-1.0	-65.19	352.74	6.27	-58.92
CC12CC(C#N)(C1)C1(CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C1)O2	REAL300019970485	1	42	-1.0	-64.09	352.27	6.27	-57.82
CC12CC(C#N)(C1)C1(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C1)O2	REAL300019970486	0	39	-1.0	-43.41	340.47	3.72	-39.69
CC12CC(C#N)(C1)C1(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C1)O2	REAL300019970486	1	39	-1.0	-43.37	340.54	3.74	-39.63
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(C1)CNC(=O)O2	REAL300019970487	0	35	-1.0	-69.07	300.41	1.40	-67.67
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC2(C1)CNC(=O)O2	REAL300019970487	1	35	-1.0	-70.25	300.53	1.39	-68.86
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)CNC(=O)O2	REAL300019970488	0	32	-1.0	-40.43	287.76	-1.14	-41.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)CNC(=O)O2	REAL300019970488	1	32	-1.0	-40.45	287.83	-1.13	-41.58
CN1C=CN=C1C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL300019970489	0	42	-1.0	-54.14	330.72	5.09	-49.05
CN1C=CN=C1C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL300019970489	1	42	-1.0	-54.12	330.77	5.11	-49.01
CN1C=CN=C1C1CCCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970490	0	45	-1.0	-62.32	353.50	7.94	-54.38
CN1C=CN=C1C1CCCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970490	1	45	-1.0	-61.84	353.81	7.92	-53.92
CN1C=CN=C1C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970491	0	42	-1.0	-41.95	338.24	5.38	-36.57
CN1C=CN=C1C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970491	1	42	-1.0	-41.95	338.31	5.39	-36.56
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1OCC1CCCCC1	REAL300019970492	0	49	-1.0	-47.02	386.90	7.09	-39.93
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1OCC1CCCCC1	REAL300019970492	1	49	-1.0	-47.06	386.96	7.10	-39.96
O=C(NC1=CC=CC=C1OCC1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970493	0	52	-1.0	-52.68	410.43	10.01	-42.67
O=C(NC1=CC=CC=C1OCC1CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970493	1	52	-1.0	-52.46	410.53	10.02	-42.44
O=C(NC1=CC=CC=C1OCC1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970494	0	49	-1.0	-37.70	397.55	6.88	-30.82
O=C(NC1=CC=CC=C1OCC1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970494	1	49	-1.0	-37.79	397.49	6.87	-30.92
O=C(CCCC1=N[N-]N=N1)NC1CCN(C2=CC=C(Br)C=C2)C1=O	REAL300019970495	0	40	-1.0	-60.64	356.05	4.56	-56.08
O=C(CCCC1=NN=N[N-]1)NC1CCN(C2=CC=C(Br)C=C2)C1=O	REAL300019970495	1	40	-1.0	-60.63	356.10	4.59	-56.04
CC(C)OC1=CC=C(NCCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019970496	0	47	-1.0	-48.73	383.50	3.24	-45.49
CC(C)OC1=CC=C(NCCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019970496	1	47	-1.0	-48.74	383.56	3.26	-45.48
CC(C)OC1=CC=C(NCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019970497	0	50	-1.0	-54.42	408.28	6.14	-48.28
CC(C)OC1=CC=C(NCCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019970497	1	50	-1.0	-54.18	408.43	6.13	-48.05
CC(C)OC1=CC=C(NCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019970498	0	47	-1.0	-37.62	394.09	3.03	-34.59
CC(C)OC1=CC=C(NCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019970498	1	47	-1.0	-37.57	394.16	3.05	-34.52
CCCCC1CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970499	0	44	-1.0	-54.27	336.58	8.01	-46.26
CCCCC1CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970499	1	44	-1.0	-53.72	336.09	8.01	-45.71
CCCCC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970500	0	41	-1.0	-36.56	330.12	6.04	-30.52
CCCCC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970500	1	41	-1.0	-36.49	330.19	6.05	-30.44
COC(=O)C(CC(C)C)ONC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970501	0	44	-1.0	-61.00	371.93	7.74	-53.26
COC(=O)C(CC(C)C)ONC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970501	1	44	-1.0	-60.79	371.98	7.76	-53.03
COC(=O)C(CC(C)C)ONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970502	0	41	-1.0	-40.51	358.06	4.65	-35.86
COC(=O)C(CC(C)C)ONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970502	1	41	-1.0	-40.50	358.13	4.65	-35.85
COC(=O)C1=CC2=C(CCCN(C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300019970503	0	42	-1.0	-52.36	359.55	6.40	-45.96
COC(=O)C1=CC2=C(CCCN(C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300019970503	1	42	-1.0	-52.35	359.61	6.41	-45.94
COC(=O)C1=CC2=C(CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)S1	REAL300019970504	0	45	-1.0	-53.88	374.72	8.72	-45.16
COC(=O)C1=CC2=C(CCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)S1	REAL300019970504	1	45	-1.0	-55.74	374.80	8.66	-47.08
COC(=O)C1=CC2=C(CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)S1	REAL300019970505	0	42	-1.0	-44.94	361.91	6.83	-38.11
COC(=O)C1=CC2=C(CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)S1	REAL300019970505	1	42	-1.0	-44.89	361.97	6.83	-38.06
CC(F)(F)C1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019970506	0	35	-1.0	-60.34	297.45	5.36	-54.98
CC(F)(F)C1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019970506	1	35	-1.0	-60.11	297.52	5.39	-54.72
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)[C@H]2OC(C)(C)O[C@@H]12	REAL300019970507	0	47	-1.0	-49.23	384.51	2.74	-46.49
COC(=O)[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)[C@H]2OC(C)(C)O[C@@H]12	REAL300019970507	1	47	-1.0	-49.20	384.57	2.76	-46.44
COC(=O)[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]2OC(C)(C)O[C@@H]12	REAL300019970508	0	47	-1.0	-38.25	394.84	2.63	-35.62
COC(=O)[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]2OC(C)(C)O[C@@H]12	REAL300019970508	1	47	-1.0	-38.25	394.91	2.64	-35.61
O=C(NC1=CC(Cl)=CC(F)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970509	0	32	-2.0	-95.84	307.07	4.86	-90.98
O=C(NC1=CC(Cl)=CC(F)=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970509	1	32	-2.0	-95.59	307.17	4.89	-90.70
O=C(NC1=CC(Cl)=CC(F)=C1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970509	1	33	-1.0	-50.02	309.81	4.13	-45.89
O=C(NC1=CC(Cl)=CC(F)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970510	0	29	-2.0	-81.13	293.28	1.76	-79.37
O=C(NC1=CC(Cl)=CC(F)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970510	1	29	-2.0	-81.13	293.35	1.76	-79.37
O=C(NC1=CC(Cl)=CC(F)=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970510	1	30	-1.0	-34.63	296.85	0.99	-33.64
O=C(NC1=CC(Cl)=CC(F)=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970510	1	30	-1.0	-34.58	296.92	1.00	-33.58
CC(C)C1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(F)=C1	REAL300019970511	0	41	-1.0	-50.09	342.64	8.32	-41.77
CC(C)C1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(F)=C1	REAL300019970511	1	41	-1.0	-49.90	342.74	8.32	-41.58
CC(C)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(F)=C1	REAL300019970512	0	38	-1.0	-35.40	328.95	5.20	-30.20
CC(C)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(F)=C1	REAL300019970512	1	38	-1.0	-35.37	328.88	5.19	-30.18
CC1=CN2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C(C)C2=N1	REAL300019970513	0	42	-1.0	-57.02	337.52	7.23	-49.79
CC1=CN2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C(C)C2=N1	REAL300019970513	1	42	-1.0	-56.77	337.61	7.23	-49.54
CC1=CN2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C(C)C2=N1	REAL300019970514	0	39	-1.0	-40.34	324.97	5.04	-35.30
CC1=CN2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C(C)C2=N1	REAL300019970514	1	39	-1.0	-40.36	325.03	5.04	-35.32
CN1CC2(CC1=O)CCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300019970515	0	43	-1.0	-54.62	335.94	3.83	-50.79
CN1CC2(CC1=O)CCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300019970515	1	43	-1.0	-54.58	336.00	3.85	-50.73
CN1CC2(CC1=O)CCCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019970516	0	46	-1.0	-64.01	358.77	6.34	-57.67
CN1CC2(CC1=O)CCCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019970516	1	46	-1.0	-62.95	358.79	6.41	-56.54
CN1CC2(CC1=O)CCCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019970517	0	43	-1.0	-47.43	345.66	4.25	-43.18
CN1CC2(CC1=O)CCCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019970517	1	43	-1.0	-47.39	345.72	4.26	-43.13
O=C(CCCC1=N[N-]N=N1)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300019970518	0	42	-1.0	-45.37	344.70	5.34	-40.03
O=C(CCCC1=NN=N[N-]1)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300019970518	1	42	-1.0	-45.40	344.76	5.35	-40.05
O=C(NCC1(C(F)(F)F)CC2(CCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970519	0	45	-1.0	-50.26	368.73	8.30	-41.96
O=C(NCC1(C(F)(F)F)CC2(CCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970519	1	45	-1.0	-50.52	368.84	8.36	-42.16
O=C(NCC1(C(F)(F)F)CC2(CCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970520	0	42	-1.0	-35.64	355.06	5.19	-30.45
O=C(NCC1(C(F)(F)F)CC2(CCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970520	1	42	-1.0	-35.64	355.13	5.19	-30.45
O=C(CCCC1=N[N-]N=N1)NCCC1CCC2=CC=CC=C2C1	REAL300019970521	0	45	-1.0	-48.74	359.91	6.55	-42.19
O=C(CCCC1=NN=N[N-]1)NCCC1CCC2=CC=CC=C2C1	REAL300019970521	1	45	-1.0	-48.74	359.96	6.56	-42.18
O=C(NCCC1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970522	0	48	-1.0	-55.13	384.28	9.45	-45.68
O=C(NCCC1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970522	1	48	-1.0	-54.89	384.38	9.48	-45.41
O=C(NCCC1CCC2=CC=CC=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970523	0	45	-1.0	-36.64	370.50	6.35	-30.29
O=C(NCCC1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970523	1	45	-1.0	-36.64	370.57	6.36	-30.28
O=C(CCCC1=N[N-]N=N1)NCC1CCCC(F)(F)CC1	REAL300019970524	0	41	-1.0	-48.03	322.33	4.52	-43.51
O=C(CCCC1=NN=N[N-]1)NCC1CCCC(F)(F)CC1	REAL300019970524	1	41	-1.0	-48.06	322.39	4.53	-43.53
O=C(NCC1CCCC(F)(F)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970525	0	44	-1.0	-55.91	345.55	7.38	-48.53
O=C(NCC1CCCC(F)(F)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970525	1	44	-1.0	-55.64	345.65	7.40	-48.24
O=C(NCC1CCCC(F)(F)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970526	0	41	-1.0	-36.45	335.56	4.29	-32.16
O=C(NCC1CCCC(F)(F)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970526	1	41	-1.0	-36.44	335.63	4.29	-32.15
O=C(NC1CCC2C1C2(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970527	0	36	-1.0	-56.17	309.49	6.30	-49.87
O=C(NC1CCC2C1C2(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970527	1	36	-1.0	-55.99	309.59	6.31	-49.68
O=C(NC1CCC2C1C2(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970528	0	33	-1.0	-36.85	295.77	3.16	-33.69
O=C(NC1CCC2C1C2(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970528	1	33	-1.0	-36.80	295.84	3.18	-33.62
CC(C)(C)OC(=O)N1CCC(CF)(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019970529	0	49	-1.0	-59.60	386.34	3.54	-56.06
CC(C)(C)OC(=O)N1CCC(CF)(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019970529	1	49	-1.0	-59.57	386.40	3.56	-56.01
CC(C)(C)OC(=O)N1CCC(CF)(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019970530	0	49	-1.0	-40.88	400.76	3.39	-37.49
CC(C)(C)OC(=O)N1CCC(CF)(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019970530	1	49	-1.0	-40.85	400.83	3.39	-37.46
CC1(C)CC(CO)(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019970531	0	45	-1.0	-55.81	355.00	3.71	-52.10
CC1(C)CC(CO)(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019970531	1	45	-1.0	-55.69	355.14	3.70	-51.99
CC1(C)CC(CO)(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019970532	0	42	-1.0	-36.62	341.00	0.55	-36.07
CC1(C)CC(CO)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019970532	1	42	-1.0	-36.60	341.06	0.56	-36.04
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019970533	0	45	-1.0	-48.09	370.76	7.73	-40.36
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019970533	1	45	-1.0	-48.09	370.82	7.74	-40.35
C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019970534	0	48	-1.0	-53.84	395.10	10.66	-43.18
C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019970534	1	48	-1.0	-53.61	395.20	10.67	-42.94
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019970535	0	45	-1.0	-37.10	381.35	7.51	-29.59
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019970535	1	45	-1.0	-37.08	381.42	7.53	-29.55
CCOC(=O)C1(NC(=O)CCCC2=N[N-]N=N2)CC2(CC(F)(F)C2)C1	REAL300019970536	0	45	-1.0	-51.13	377.62	6.30	-44.83
CCOC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CC2(CC(F)(F)C2)C1	REAL300019970536	1	45	-1.0	-51.15	377.68	6.31	-44.84
CCOC(=O)C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2(CC(F)(F)C2)C1	REAL300019970537	0	45	-1.0	-39.11	388.13	6.11	-33.00
CCOC(=O)C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2(CC(F)(F)C2)C1	REAL300019970537	1	45	-1.0	-39.05	388.20	6.11	-32.94
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCC1CC(F)F	REAL300019970538	0	39	-1.0	-52.14	314.91	5.17	-46.97
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCC1CC(F)F	REAL300019970538	1	39	-1.0	-53.17	315.47	5.19	-47.98
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1CC(F)F	REAL300019970539	0	36	-1.0	-36.03	300.70	2.91	-33.12
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1CC(F)F	REAL300019970539	1	36	-1.0	-35.99	300.77	2.92	-33.07
O=C(NC1CCC2(CC2(F)F)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970540	0	39	-1.0	-54.12	332.40	7.03	-47.09
O=C(NC1CCC2(CC2(F)F)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970540	1	39	-1.0	-54.17	332.86	7.02	-47.15
O=C(NC1CCC2(CC2(F)F)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970541	0	36	-1.0	-36.65	318.68	3.91	-32.74
O=C(NC1CCC2(CC2(F)F)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970541	1	36	-1.0	-36.61	318.75	3.93	-32.68
CN(C)S(=O)(=NC(=O)CCCC1=N[N-]N=N1)N1CCOCC1	REAL300019970542	0	42	-1.0	-55.82	348.60	-0.13	-55.95
CN(C)S(=O)(=NC(=O)CCCC1=NN=N[N-]1)N1CCOCC1	REAL300019970542	1	42	-1.0	-55.82	348.66	-0.12	-55.94
CN(C)S(=O)(=NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCC1	REAL300019970543	0	45	-1.0	-62.99	376.36	3.42	-59.57
CN(C)S(=O)(=NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCC1	REAL300019970543	1	45	-1.0	-62.82	376.33	3.42	-59.40
CN(C)S(=O)(=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1	REAL300019970544	0	42	-1.0	-48.53	364.19	0.02	-48.51
CN(C)S(=O)(=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1	REAL300019970544	1	42	-1.0	-48.54	364.23	0.03	-48.51
O=C(NC1=CC=C(N2CCC2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970545	0	41	-1.0	-53.41	335.58	5.32	-48.09
O=C(NC1=CC=C(N2CCC2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970545	1	41	-1.0	-53.23	335.69	5.34	-47.89
O=C(NC1=CC=C(N2CCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970546	0	38	-1.0	-35.56	321.55	2.23	-33.33
O=C(NC1=CC=C(N2CCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970546	1	38	-1.0	-35.60	321.49	2.22	-33.38
O=C(CCCC1=NN=N[N-]1)NC1=NOC(C2=CC3=CC=CN=C3C=C2)=C1	REAL300019970547	0	40	-1.0	-49.64	348.46	5.84	-43.80
O=C(CCCC1=N[N-]N=N1)NC1=NOC(C2=CC3=CC=CN=C3C=C2)=C1	REAL300019970547	1	40	-1.0	-49.61	348.40	5.83	-43.78
O=C(NC1=NOC(C2=CC3=CC=CN=C3C=C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970548	0	40	-1.0	-38.75	359.03	5.64	-33.11
O=C(NC1=NOC(C2=CC3=CC=CN=C3C=C2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970548	1	40	-1.0	-38.78	358.96	5.64	-33.14
O=C(CCCC1=NN=N[N-]1)NC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300019970549	0	35	-1.0	-47.23	324.12	5.99	-41.24
O=C(CCCC1=N[N-]N=N1)NC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300019970549	1	35	-1.0	-47.18	324.06	5.98	-41.20
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970550	0	35	-1.0	-36.05	334.69	5.79	-30.26
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970550	1	35	-1.0	-36.09	334.62	5.79	-30.30
CC1=C(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=NO2)C=CO1	REAL300019970551	0	35	-1.0	-47.94	311.86	4.39	-43.55
CC1=C(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=NO2)C=CO1	REAL300019970551	1	35	-1.0	-47.90	311.81	4.38	-43.52
CC1=C(C2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=NO2)C=CO1	REAL300019970552	0	35	-1.0	-37.11	322.44	4.19	-32.92
CC1=C(C2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=NO2)C=CO1	REAL300019970552	1	35	-1.0	-37.11	322.37	4.19	-32.92
COC(=O)CCN(OC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970553	0	38	-1.0	-50.89	328.60	6.04	-44.85
COC(=O)CCN(OC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970553	1	38	-1.0	-50.73	328.70	6.05	-44.68
COC(=O)CCN(OC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970554	0	35	-1.0	-37.19	313.43	3.51	-33.68
COC(=O)CCN(OC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970554	1	35	-1.0	-37.20	313.49	3.53	-33.67
O=C(NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970555	0	41	-1.0	-55.59	332.47	5.54	-50.05
O=C(NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970555	1	41	-1.0	-55.81	332.96	5.52	-50.29
O=C(NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970556	0	38	-1.0	-36.59	318.73	2.41	-34.18
O=C(NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970556	1	38	-1.0	-36.58	318.80	2.41	-34.17
O=C(NC1CCCC2C1C2(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970557	0	39	-1.0	-51.14	322.73	6.78	-44.36
O=C(NC1CCCC2C1C2(F)F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970557	1	39	-1.0	-50.98	322.84	6.78	-44.20
O=C(NC1CCCC2C1C2(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970558	0	36	-1.0	-37.32	309.00	3.64	-33.68
O=C(NC1CCCC2C1C2(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970558	1	36	-1.0	-37.31	309.07	3.65	-33.66
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2(CO)CCCC2)C=C1	REAL300019970559	0	46	-1.0	-50.05	361.16	3.85	-46.20
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2(CO)CCCC2)C=C1	REAL300019970559	1	46	-1.0	-50.02	361.22	3.87	-46.15
O=C(NC1=CC=C(C2(CO)CCCC2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970560	0	49	-1.0	-56.69	385.67	6.75	-49.94
O=C(NC1=CC=C(C2(CO)CCCC2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970560	1	49	-1.0	-56.47	385.73	6.75	-49.72
O=C(NC1=CC=C(C2(CO)CCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970561	0	46	-1.0	-37.70	371.76	3.64	-34.06
O=C(NC1=CC=C(C2(CO)CCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970561	1	46	-1.0	-37.56	371.33	3.65	-33.91
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019970562	0	44	0.0	-74.35	345.97	3.74	-70.61
CN(C(=O)CCCC1=N[N-]N=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019970562	1	44	0.0	-74.32	345.91	3.73	-70.59
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019970563	0	47	0.0	-70.56	365.74	6.15	-64.41
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019970564	0	44	0.0	-58.87	352.12	4.09	-54.78
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019970564	1	44	0.0	-58.96	352.05	4.06	-54.90
CC1(C)CC2(CC2NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019970565	0	42	-1.0	-52.61	343.56	7.32	-45.29
CC1(C)CC2(CC2NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019970565	1	42	-1.0	-52.37	344.05	7.29	-45.08
O=C(CCCC1=N[N-]N=N1)N1CCOCC1C1=NC2=CC=CC=C2O1	REAL300019970566	0	42	-1.0	-55.28	344.87	2.49	-52.79
O=C(CCCC1=NN=N[N-]1)N1CCOCC1C1=NC2=CC=CC=C2O1	REAL300019970566	1	42	-1.0	-55.28	344.93	2.51	-52.77
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCC1C1=NC2=CC=CC=C2O1	REAL300019970567	0	45	-1.0	-63.24	366.73	5.02	-58.22
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCC1C1=NC2=CC=CC=C2O1	REAL300019970567	1	45	-1.0	-63.36	366.59	4.96	-58.40
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1C1=NC2=CC=CC=C2O1	REAL300019970568	0	42	-1.0	-41.41	352.09	2.89	-38.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1C1=NC2=CC=CC=C2O1	REAL300019970568	1	42	-1.0	-41.39	352.16	2.91	-38.48
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019970569	0	39	-1.0	-47.44	342.59	4.10	-43.34
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019970569	1	39	-1.0	-47.44	342.65	4.11	-43.33
C[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019970570	0	42	-1.0	-53.22	366.96	7.02	-46.20
C[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019970570	1	42	-1.0	-53.00	367.05	7.04	-45.96
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019970571	0	39	-1.0	-35.35	353.17	3.90	-31.45
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019970571	1	39	-1.0	-35.36	353.24	3.91	-31.45
O=C(CCCC1=N[N-]N=N1)NC1=NNC(CC2=CC=CC=C2)=C1	REAL300019970572	0	39	-1.0	-49.50	335.40	5.10	-44.40
O=C(CCCC1=NN=N[N-]1)NC1=NNC(CC2=CC=CC=C2)=C1	REAL300019970572	1	39	-1.0	-49.46	335.46	5.11	-44.35
O=C(NC1=NNC(CC2=CC=CC=C2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970573	0	42	-1.0	-54.41	360.12	7.99	-46.42
O=C(NC1=NNC(CC2=CC=CC=C2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970573	1	42	-1.0	-54.29	360.19	8.01	-46.28
O=C(NC1=NNC(CC2=CC=CC=C2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970574	0	39	-1.0	-38.88	345.97	4.90	-33.98
O=C(NC1=NNC(CC2=CC=CC=C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970574	1	39	-1.0	-38.89	346.03	4.92	-33.97
CC(C)(C)C1=CC=CN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019970575	0	43	-1.0	-47.77	336.71	4.13	-43.64
CC(C)(C)C1=CC=CN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019970575	1	43	-1.0	-47.79	336.77	4.15	-43.64
CC(C)(C)C1=CC=CN=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970576	0	46	-1.0	-53.30	361.33	7.07	-46.23
CC(C)(C)C1=CC=CN=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970576	1	46	-1.0	-53.10	361.42	7.08	-46.02
CC(C)(C)C1=CC=CN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970577	0	43	-1.0	-37.67	346.18	4.07	-33.60
CC(C)(C)C1=CC=CN=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970577	1	43	-1.0	-37.69	346.24	4.08	-33.61
CC(C)(C)OC(=O)NCC1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019970578	0	53	-1.0	-54.47	409.02	1.22	-53.25
CC(C)(C)OC(=O)NCC1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019970578	1	53	-1.0	-54.52	409.07	1.23	-53.29
CCC(C)C(OC)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972202	0	39	-1.0	-40.84	343.60	5.22	-35.62
CCC(C)C(OC)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972202	1	39	-1.0	-40.79	343.64	5.20	-35.59
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(CO)C(F)=C1	REAL300019972203	0	34	-1.0	-50.35	324.33	3.04	-47.31
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C(CO)C(F)=C1	REAL300019972203	1	34	-1.0	-50.29	324.40	3.03	-47.26
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC=C(Cl)S1	REAL300019972204	0	26	-1.0	-48.95	292.02	3.20	-45.75
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC=C(Cl)S1	REAL300019972204	1	26	-1.0	-48.97	291.96	3.20	-45.77
CC(C)(C)OC(=O)CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972205	0	41	-1.0	-40.17	362.80	6.02	-34.15
CC(C)(C)OC(=O)CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972205	1	41	-1.0	-40.11	362.87	6.02	-34.09
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC=C(F)C=C1F	REAL300019972206	0	29	-1.0	-47.87	295.78	3.95	-43.92
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC=C(F)C=C1F	REAL300019972206	1	29	-1.0	-47.94	295.71	3.96	-43.98
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(O)=CC=C1Cl	REAL300019972207	0	31	-1.0	-51.18	311.08	3.18	-48.00
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(O)=CC=C1Cl	REAL300019972207	1	31	-1.0	-51.13	311.14	3.17	-47.96
COC1=CN=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972208	0	32	-1.0	-44.71	311.87	0.47	-44.24
COC1=CN=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972208	1	32	-1.0	-44.72	311.80	0.48	-44.24
O=C(C[C@H]1CCOC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972209	0	34	-1.0	-42.10	306.65	3.26	-38.84
O=C(C[C@H]1CCOC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972209	1	34	-1.0	-42.08	306.71	3.25	-38.83
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=C2CCCCN12	REAL300019972210	0	37	-1.0	-51.86	328.49	5.71	-46.15
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=C2CCCCN12	REAL300019972210	1	37	-1.0	-51.89	328.55	5.70	-46.19
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)OC=C1	REAL300019972211	0	27	-1.0	-50.36	286.17	4.07	-46.29
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)OC=C1	REAL300019972211	1	27	-1.0	-50.48	285.95	4.09	-46.39
CSC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972212	0	31	-1.0	-36.77	299.80	5.39	-31.38
CSC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972212	1	31	-1.0	-36.73	299.96	5.38	-31.35
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300019972213	0	33	-1.0	-51.73	321.47	6.70	-45.03
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300019972213	1	33	-1.0	-51.74	321.53	6.69	-45.05
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2N=C1	REAL300019972214	0	35	-1.0	-49.02	329.22	5.87	-43.15
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2N=C1	REAL300019972214	1	35	-1.0	-49.06	329.16	5.88	-43.18
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC([O-])=CS1	REAL300019972215	0	27	-2.0	-98.01	287.21	2.37	-95.64
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC([O-])=CS1	REAL300019972215	1	27	-2.0	-97.95	287.28	2.37	-95.58
CN1C=CC=C1C(=O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972216	0	33	-1.0	-45.93	312.33	4.82	-41.11
CN1C=CC=C1C(=O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972216	1	33	-1.0	-45.91	312.39	4.81	-41.10
CC(C)[C@H](O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972217	0	33	-1.0	-48.42	299.17	2.50	-45.92
CC(C)[C@H](O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972217	1	33	-1.0	-48.45	299.23	2.49	-45.96
CCC(C)CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972218	0	38	-1.0	-39.52	331.22	5.91	-33.61
CCC(C)CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972218	1	38	-1.0	-39.46	331.29	5.90	-33.56
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C2CCCC2=CO1	REAL300019972219	0	34	-1.0	-48.69	317.16	5.45	-43.24
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C2CCCC2=CO1	REAL300019972219	1	34	-1.0	-48.49	317.51	5.43	-43.06
CCOC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019972220	0	40	-1.0	-37.31	343.46	5.10	-32.21
CCOC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019972220	1	40	-1.0	-37.24	343.52	5.09	-32.15
NC(=O)CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=CO1	REAL300019972221	0	34	-1.0	-54.12	327.27	1.13	-52.99
NC(=O)CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CO1	REAL300019972221	1	34	-1.0	-54.11	327.33	1.13	-52.98
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(O)C1=CC=CN=C1	REAL300019972222	0	33	-1.0	-52.99	315.30	2.36	-50.63
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(O)C1=CC=CN=C1	REAL300019972222	1	33	-1.0	-53.04	315.23	2.36	-50.68
CC1=NOC(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972223	0	32	-1.0	-56.55	309.37	4.38	-52.17
CC1=NOC(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972223	1	32	-1.0	-56.54	309.43	4.37	-52.17
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(O)C1CC1	REAL300019972224	0	31	-1.0	-48.06	291.25	2.78	-45.28
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(O)C1CC1	REAL300019972224	1	31	-1.0	-48.00	291.30	2.77	-45.23
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972225	0	42	-1.0	-61.05	357.72	5.28	-55.77
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972225	1	42	-1.0	-61.01	357.78	5.27	-55.74
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C2CCOCC2=CO1	REAL300019972226	0	35	-1.0	-48.46	324.01	3.56	-44.90
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C2CCOCC2=CO1	REAL300019972226	1	35	-1.0	-48.39	324.07	3.55	-44.84
CCC1OCCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972227	0	37	-1.0	-48.55	329.74	4.10	-44.45
CCC1OCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972227	1	37	-1.0	-48.52	329.80	4.09	-44.43
CC1=CN=C(COCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972228	0	36	-1.0	-49.04	344.05	2.03	-47.01
CC1=CN=C(COCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972228	1	36	-1.0	-60.46	344.41	2.02	-58.44
COCC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019972229	0	33	-1.0	-48.65	330.30	2.43	-46.22
COCC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019972229	1	33	-1.0	-48.90	330.65	2.41	-46.49
COC(=O)COCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972230	0	33	-1.0	-50.96	321.51	3.94	-47.02
COC(=O)COCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972230	1	33	-1.0	-50.94	321.58	3.94	-47.00
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=C(C(C)C)O1	REAL300019972231	0	38	-1.0	-44.51	350.42	3.08	-41.43
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=C(C(C)C)O1	REAL300019972231	1	38	-1.0	-44.41	350.76	3.06	-41.35
CC(C)(C)CCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972232	0	44	-1.0	-39.65	372.16	7.22	-32.43
CC(C)(C)CCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972232	1	44	-1.0	-39.63	372.22	7.21	-32.42
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL300019972233	0	37	-1.0	-51.15	335.59	-2.75	-53.90
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL300019972233	1	37	-1.0	-51.17	335.65	-2.75	-53.92
CC(C)[C@@H](O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972234	0	33	-1.0	-47.42	298.16	2.77	-44.65
CC(C)[C@@H](O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972234	1	33	-1.0	-47.34	298.22	2.76	-44.58
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CN=C1F	REAL300019972235	0	29	-1.0	-52.24	299.13	3.58	-48.66
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CN=C1F	REAL300019972235	1	29	-1.0	-52.33	299.06	3.58	-48.75
CN1C=NC2=CC=C(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)N=C21	REAL300019972236	0	35	-1.0	-50.49	333.37	6.07	-44.42
CN1C=NC2=CC=C(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)N=C21	REAL300019972236	1	35	-1.0	-50.58	333.02	6.09	-44.49
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NN2C=CC=NC2=C1	REAL300019972237	0	32	-1.0	-54.41	313.73	4.31	-50.10
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NN2C=CC=NC2=C1	REAL300019972237	1	32	-1.0	-54.48	313.67	4.31	-50.17
CC(O)(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL300019972238	0	34	-1.0	-45.86	308.20	2.34	-43.52
CC(O)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL300019972238	1	34	-1.0	-45.82	308.26	2.33	-43.49
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC2=CC=CN=C21	REAL300019972239	0	36	-1.0	-42.30	328.13	5.66	-36.64
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2=CC=CN=C21	REAL300019972239	1	36	-1.0	-42.24	328.19	5.65	-36.59
CC(C)(C)OCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972240	0	42	-1.0	-42.06	363.76	5.14	-36.92
CC(C)(C)OCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972240	1	42	-1.0	-42.06	363.82	5.14	-36.92
CC1(C)CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972241	0	36	-1.0	-39.13	319.45	5.59	-33.54
CC1(C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972241	1	36	-1.0	-39.08	319.51	5.58	-33.50
CC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CS1	REAL300019972242	0	30	-1.0	-49.68	301.04	5.24	-44.44
CC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CS1	REAL300019972242	1	30	-1.0	-49.65	301.10	5.23	-44.42
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC([N+](=O)[O-])=NN1	REAL300019972243	0	29	-1.0	-48.82	299.85	3.69	-45.13
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=C(C(C)C)O1	REAL300019972244	0	39	-1.0	-46.85	353.67	6.54	-40.31
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=C(C(C)C)O1	REAL300019972244	1	39	-1.0	-46.80	353.74	6.53	-40.27
CC1=CSC(C(C)C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972245	0	35	-1.0	-40.64	336.39	4.50	-36.14
CC1=CSC(C(C)C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972245	1	35	-1.0	-49.40	336.78	4.48	-44.92
CC1=COC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300019972246	0	33	-1.0	-47.18	311.04	4.88	-42.30
CC1=COC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300019972246	1	33	-1.0	-47.09	311.11	4.87	-42.22
CCC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=CN1	REAL300019972247	0	34	-1.0	-50.18	314.33	4.69	-45.49
CCC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CN1	REAL300019972247	1	34	-1.0	-50.20	314.38	4.68	-45.52
CC(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=CN1	REAL300019972248	0	37	-1.0	-50.50	334.77	5.27	-45.23
CC(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CN1	REAL300019972248	1	37	-1.0	-50.62	334.55	5.27	-45.35
CCC(C)(C#N)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972249	0	33	-1.0	-39.21	306.91	4.47	-34.74
CCC(C)(C#N)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972249	1	33	-1.0	-39.19	306.97	4.46	-34.73
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(C1CCC1)C1CCC1	REAL300019972250	0	43	-1.0	-48.43	360.00	7.76	-40.67
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(C1CCC1)C1CCC1	REAL300019972250	1	43	-1.0	-48.39	360.07	7.75	-40.64
O=C(COC(F)F)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972251	0	27	-1.0	-41.56	276.75	2.85	-38.71
O=C(COC(F)F)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972251	1	27	-1.0	-41.51	276.81	2.84	-38.67
CC1=NC=CC=C1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972252	0	35	-1.0	-52.44	324.25	4.85	-47.59
CC1=NC=CC=C1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972252	1	35	-1.0	-52.43	324.32	4.85	-47.58
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019972253	0	37	-1.0	-49.35	340.12	7.55	-41.80
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300019972253	1	37	-1.0	-49.38	340.18	7.54	-41.84
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C=CS1	REAL300019972254	0	27	-1.0	-50.20	293.39	5.04	-45.16
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C=CS1	REAL300019972254	1	27	-1.0	-50.12	293.45	5.03	-45.09
O=C(CC1=COC2=CC=CC=C12)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972255	0	36	-1.0	-53.97	340.36	6.55	-47.42
O=C(CC1=COC2=CC=CC=C12)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972255	1	36	-1.0	-53.95	340.43	6.54	-47.41
CN1N=CC=C1COCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972256	0	37	-1.0	-48.19	347.47	4.18	-44.01
CN1N=CC=C1COCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972256	1	37	-1.0	-48.19	347.54	4.17	-44.02
COCC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300019972257	0	37	-1.0	-39.96	327.64	4.71	-35.25
COCC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300019972257	1	37	-1.0	-39.98	327.70	4.71	-35.27
CN1N=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972258	0	29	-1.0	-46.74	288.19	1.66	-45.08
CN1N=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972258	1	29	-1.0	-46.78	288.13	1.67	-45.11
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN2C=NC=C2C=C1	REAL300019972259	0	33	-1.0	-49.51	314.77	6.93	-42.58
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300019972259	1	34	0.0	-67.82	318.27	7.42	-60.40
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN2C=NC=C2C=C1	REAL300019972259	1	33	-1.0	-49.68	314.55	6.93	-42.75
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1COC(=O)N1	REAL300019972260	0	29	-1.0	-59.14	284.59	-0.20	-59.34
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1COC(=O)N1	REAL300019972260	1	29	-1.0	-59.05	284.65	-0.21	-59.26
CC1=COC(C)=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972261	0	33	-1.0	-49.07	316.33	4.91	-44.16
CC1=COC(C)=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972261	1	33	-1.0	-49.10	316.39	4.90	-44.20
COC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCOCC1	REAL300019972262	0	38	-1.0	-37.81	325.25	1.97	-35.84
COC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCOCC1	REAL300019972262	1	38	-1.0	-37.76	325.36	1.96	-35.80
COCC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)SC=N1	REAL300019972263	0	33	-1.0	-50.39	325.37	2.33	-48.06
COCC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)SC=N1	REAL300019972263	1	33	-1.0	-50.36	325.43	2.32	-48.04
CC(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)OC=C1	REAL300019972264	0	36	-1.0	-47.85	330.84	5.53	-42.32
CC(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)OC=C1	REAL300019972264	1	36	-1.0	-47.85	330.91	5.52	-42.33
CON=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972265	0	27	-1.0	-50.32	274.89	1.78	-48.54
CON=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972265	1	27	-1.0	-50.28	274.96	1.77	-48.51
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=NC2=NNN=C21	REAL300019972266	0	31	-1.0	-60.16	303.70	2.15	-58.01
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=NC2=NNN=C21	REAL300019972266	1	31	-1.0	-60.37	303.48	2.17	-58.20
CC(C)(C)C(NC(N)=O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972267	0	41	-1.0	-40.14	349.27	0.82	-39.32
CC(C)(C)C(NC(N)=O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972267	1	41	-1.0	-40.13	349.33	0.82	-39.31
CC(C)C1=NN=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019972268	0	34	-1.0	-44.19	335.25	3.61	-40.58
CC(C)C1=NN=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019972268	1	34	-1.0	-44.20	335.32	3.60	-40.60
O=C(CCCC1=NC=CS1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972269	0	35	-1.0	-52.82	340.13	4.89	-47.93
O=C(CCCC1=NC=CS1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972269	1	35	-1.0	-52.79	340.19	4.88	-47.91
CC1=NC=CN1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972270	0	33	-1.0	-56.87	314.00	5.07	-51.80
CC1=NC=CN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972270	1	33	-1.0	-56.84	314.06	5.05	-51.79
CC1=[NH+]C=CN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972270	1	34	0.0	-62.21	317.51	5.54	-56.67
COCC1=NN(C)C=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972271	0	37	-1.0	-56.19	344.36	2.92	-53.27
COCC1=NN(C)C=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972271	1	37	-1.0	-56.17	344.42	2.91	-53.26
CN1N=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300019972272	0	30	-1.0	-46.93	309.31	3.67	-43.26
CN1N=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300019972272	1	30	-1.0	-46.94	309.24	3.67	-43.27
CC1(C=CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCOCC1	REAL300019972273	0	41	-1.0	-49.75	350.04	4.86	-44.89
CC1(C=CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCOCC1	REAL300019972273	1	41	-1.0	-49.70	350.10	4.85	-44.85
CC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CN=C1F	REAL300019972274	0	32	-1.0	-46.45	309.35	4.30	-42.15
CC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CN=C1F	REAL300019972274	1	32	-1.0	-46.45	309.29	4.31	-42.14
C=CC(C)(O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972275	0	31	-1.0	-38.24	293.20	1.36	-36.88
C=CC(C)(O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972275	1	31	-1.0	-38.22	293.26	1.36	-36.86
CN(C)C1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972276	0	35	-1.0	-38.08	311.28	2.90	-35.18
CN(C)C1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972276	1	35	-1.0	-38.08	311.37	2.89	-35.19
C[NH+](C)C1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972276	1	36	0.0	-63.14	310.24	5.48	-57.66
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC=CN1	REAL300019972277	0	27	-1.0	-46.58	270.91	2.24	-44.34
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC=CN1	REAL300019972277	1	27	-1.0	-46.58	270.98	2.24	-44.34
N#CC1=CC=C(F)C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972278	0	31	-1.0	-52.80	312.93	5.99	-46.81
N#CC1=CC=C(F)C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972278	1	31	-1.0	-52.72	312.99	5.98	-46.74
CN1[N-]C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CC1=O	REAL300019972279	0	30	-2.0	-91.10	300.80	1.64	-89.46
CN1[N-]C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CC1=O	REAL300019972279	1	30	-2.0	-91.06	300.86	1.63	-89.43
CC(C)C#CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972280	0	31	-1.0	-47.83	301.83	5.25	-42.58
CC(C)C#CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972280	1	31	-1.0	-47.54	301.89	5.24	-42.30
O=CN1CCCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972281	0	34	-1.0	-56.03	314.68	3.40	-52.63
O=CN1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972281	1	34	-1.0	-56.01	314.74	3.39	-52.62
O=C(CCC1=NNN=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972282	0	32	-1.0	-48.94	307.36	2.06	-46.88
O=C(CCC1=NNN=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972282	1	32	-1.0	-48.85	307.43	2.06	-46.79
CCC1=CC=C(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=C1	REAL300019972283	0	38	-1.0	-43.85	348.54	5.99	-37.86
CCC1=CC=C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=C1	REAL300019972283	1	38	-1.0	-53.75	348.90	5.98	-47.77
CC1=CNN=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972284	0	30	-1.0	-49.43	289.09	2.67	-46.76
CC1=CNN=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972284	1	30	-1.0	-49.41	289.15	2.66	-46.75
CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC=CCC1	REAL300019972285	0	37	-1.0	-39.69	320.73	5.99	-33.70
CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC=CCC1	REAL300019972285	1	37	-1.0	-49.33	320.80	5.99	-43.34
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN(CC2CC2)N=N1	REAL300019972286	0	36	-1.0	-45.92	341.88	4.25	-41.67
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN(CC2CC2)N=N1	REAL300019972286	1	36	-1.0	-45.96	341.81	4.26	-41.70
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=NC=C2C=C1	REAL300019972287	0	35	-1.0	-51.40	328.88	6.00	-45.40
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=NC=C2C=C1	REAL300019972287	1	35	-1.0	-51.41	328.82	6.00	-45.41
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C2=C1CCC2	REAL300019972288	0	40	-1.0	-50.26	349.92	7.97	-42.29
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C2=C1CCC2	REAL300019972288	1	40	-1.0	-50.18	349.98	7.96	-42.22
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL300019972289	0	30	-1.0	-47.93	295.77	5.22	-42.71
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL300019972289	1	30	-1.0	-47.89	295.83	5.21	-42.68
O=C(CC1(O)CCC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972290	0	34	-1.0	-40.39	307.13	3.27	-37.12
O=C(CC1(O)CCC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972290	1	34	-1.0	-40.32	307.19	3.26	-37.06
CC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=NN1C(C)C	REAL300019972291	0	39	-1.0	-50.00	354.96	5.33	-44.67
CC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=NN1C(C)C	REAL300019972291	1	39	-1.0	-49.93	355.03	5.32	-44.61
CN1N=CC(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972292	0	35	-1.0	-50.36	330.43	3.17	-47.19
CN1N=CC(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972292	1	35	-1.0	-50.28	330.49	3.16	-47.12
CCC(CC(F)(F)F)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972293	0	35	-1.0	-38.06	320.58	5.35	-32.71
CCC(CC(F)(F)F)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972293	1	35	-1.0	-38.07	320.87	5.34	-32.73
O=C(CC1CCC2CC21)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972294	0	37	-1.0	-48.49	323.60	6.51	-41.98
O=C(CC1CCC2CC21)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972294	1	37	-1.0	-48.44	323.66	6.50	-41.94
CC1=NN=C(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019972295	0	31	-1.0	-46.86	313.36	2.96	-43.90
CC1=NN=C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019972295	1	31	-1.0	-57.57	313.72	2.95	-54.62
CC1=CC=C(F)C(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972296	0	36	-1.0	-41.64	338.99	6.90	-34.74
CC1=CC=C(F)C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972296	1	36	-1.0	-50.19	339.36	6.88	-43.31
C=CCC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL300019972297	0	43	-1.0	-39.85	356.90	7.18	-32.67
C=CCC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL300019972297	1	43	-1.0	-39.88	356.97	7.17	-32.71
CC1=CN=CC(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972298	0	38	-1.0	-41.63	350.20	5.85	-35.78
CC1=CN=CC(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972298	1	38	-1.0	-41.64	350.13	5.86	-35.78
O=C(CCC1=CN=CN=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972299	0	34	-1.0	-41.86	323.26	5.01	-36.85
O=C(CCC1=CN=CN=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972299	1	34	-1.0	-41.91	323.19	5.01	-36.90
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)OC(C(C)C)=N1	REAL300019972300	0	38	-1.0	-45.10	348.81	2.95	-42.15
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)OC(C(C)C)=N1	REAL300019972300	1	38	-1.0	-45.10	348.88	2.94	-42.16
CC(C)CC(CC(C)C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972301	0	47	-1.0	-49.48	376.85	7.30	-42.18
CC(C)CC(CC(C)C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972301	1	47	-1.0	-49.48	376.92	7.29	-42.19
CC[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972302	0	33	-1.0	-48.71	305.46	5.42	-43.29
CC[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972302	1	33	-1.0	-48.67	305.52	5.41	-43.26
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC1(F)F	REAL300019972303	0	27	-1.0	-47.29	275.94	4.14	-43.15
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC1(F)F	REAL300019972303	1	27	-1.0	-47.28	276.01	4.13	-43.15
O=C(CCCC(=O)C1CC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972304	0	38	-1.0	-47.52	349.46	6.28	-41.24
O=C(CCCC(=O)C1CC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972304	1	38	-1.0	-59.44	349.82	6.26	-53.18
CC(C)(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL300019972305	0	39	-1.0	-39.40	329.79	6.10	-33.30
CC(C)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL300019972305	1	39	-1.0	-39.34	329.85	6.09	-33.25
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC12CCSCC2	REAL300019972306	0	38	-1.0	-40.17	338.63	6.78	-33.39
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC12CCSCC2	REAL300019972306	1	38	-1.0	-40.11	338.69	6.77	-33.34
CC(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)SC=N1	REAL300019972307	0	35	-1.0	-47.76	333.08	4.62	-43.14
CC(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)SC=N1	REAL300019972307	1	35	-1.0	-47.74	333.14	4.61	-43.13
CC1=NC2=CC=NN2C=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972308	0	35	-1.0	-40.97	326.76	5.11	-35.86
CC1=NC2=CC=NN2C=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972308	1	35	-1.0	-41.01	326.85	5.11	-35.90
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=C2NC=CC2=C1	REAL300019972309	0	33	-1.0	-51.65	314.20	4.78	-46.87
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=C2NC=CC2=C1	REAL300019972309	1	33	-1.0	-51.66	314.27	4.77	-46.89
O=C(CSC(F)F)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972310	0	27	-1.0	-40.55	288.64	4.04	-36.51
O=C(CSC(F)F)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972310	1	27	-1.0	-40.49	288.70	4.03	-36.46
CC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)=C1CCC1	REAL300019972311	0	34	-1.0	-49.24	309.08	5.98	-43.26
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)=C1CCC1	REAL300019972311	1	34	-1.0	-48.74	309.44	5.97	-42.77
CCC(=O)C1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972312	0	35	-1.0	-38.25	329.32	5.16	-33.09
CCC(=O)C1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972312	1	35	-1.0	-38.24	329.38	5.16	-33.08
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(C(=O)C2CC2)CC1	REAL300019972313	0	36	-1.0	-37.61	337.54	5.89	-31.72
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(C(=O)C2CC2)CC1	REAL300019972313	1	36	-1.0	-37.57	337.63	5.89	-31.68
CC(=O)C1=CN(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019972314	0	34	-1.0	-49.60	332.45	2.73	-46.87
CC(=O)C1=CN(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019972314	1	34	-1.0	-60.77	332.27	2.73	-58.04
O=C(C#CC1=CC=CS1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972315	0	29	-1.0	-47.36	309.06	5.95	-41.41
O=C(C#CC1=CC=CS1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972315	1	29	-1.0	-47.27	309.12	5.94	-41.33
CC(C)C[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972316	0	39	-1.0	-39.15	344.65	6.71	-32.44
CC(C)C[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972316	1	39	-1.0	-39.13	344.71	6.70	-32.43
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC2=C(CCCC2)N1	REAL300019972317	0	38	-1.0	-50.72	338.19	5.72	-45.00
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC2=C(CCCC2)N1	REAL300019972317	1	38	-1.0	-50.69	338.25	5.71	-44.98
O=C(CCC1CCC(=O)N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972318	0	37	-1.0	-55.73	336.15	2.67	-53.06
O=C(CCC1CCC(=O)N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972318	1	37	-1.0	-55.63	336.22	2.67	-52.96
O=C(CC1=CC=C(O)C(F)=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972319	0	34	-1.0	-53.69	329.69	3.41	-50.28
O=C(CC1=CC=C(O)C(F)=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972319	1	34	-1.0	-53.64	329.75	3.40	-50.24
CC1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1C	REAL300019972320	0	42	-1.0	-39.94	345.07	6.69	-33.25
CC1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1C	REAL300019972320	1	42	-1.0	-39.88	345.13	6.69	-33.19
C=C[C@@H]1OCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972321	0	35	-1.0	-48.69	321.16	3.86	-44.83
C=C[C@@H]1OCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972321	1	35	-1.0	-48.64	321.22	3.85	-44.79
COC1COCCC1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972322	0	41	-1.0	-48.94	355.00	3.14	-45.80
COC1COCCC1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972322	1	41	-1.0	-48.94	355.06	3.13	-45.81
CC(C)CCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972323	0	38	-1.0	-39.68	334.49	6.04	-33.64
CC(C)CCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972323	1	38	-1.0	-39.63	334.56	6.03	-33.60
CCCC1CCCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972324	0	42	-1.0	-49.48	352.85	7.01	-42.47
CCCC1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972324	1	42	-1.0	-49.45	352.92	7.00	-42.45
CN1N=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL300019972325	0	30	-1.0	-49.62	306.39	3.64	-45.98
CN1N=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL300019972325	1	30	-1.0	-49.65	306.33	3.64	-46.01
CCOC1=NOC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972326	0	33	-1.0	-43.55	321.40	1.88	-41.67
CCOC1=NOC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972326	1	33	-1.0	-43.60	321.34	1.89	-41.71
CC(C)(CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[N+](=O)[O-]	REAL300019972327	0	37	-1.0	-46.43	335.81	5.24	-41.19
CC(C)(CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[N+](=O)[O-]	REAL300019972327	1	37	-1.0	-46.38	335.87	5.23	-41.15
CC1=CN=CC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972328	0	32	-1.0	-47.66	299.08	4.42	-43.24
CC1=CN=CC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972328	1	32	-1.0	-47.68	299.02	4.43	-43.25
CC(C)(C)C(=O)CCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972329	0	43	-1.0	-47.70	376.00	6.50	-41.20
CC(C)(C)C(=O)CCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972329	1	43	-1.0	-47.70	376.07	6.49	-41.21
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C2CCCCC2=NO1	REAL300019972330	0	36	-1.0	-43.82	327.91	5.30	-38.52
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C2CCCCC2=NO1	REAL300019972330	1	36	-1.0	-43.76	327.69	5.30	-38.46
O=C(CC1CC(=O)NC1=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972331	0	33	-1.0	-51.28	312.57	2.23	-49.05
O=C(CC1CC(=O)NC1=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972331	1	33	-1.0	-51.25	312.64	2.22	-49.03
NC(=O)C1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N1	REAL300019972332	0	32	-1.0	-52.75	312.04	0.06	-52.69
NC(=O)C1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N1	REAL300019972332	1	32	-1.0	-52.72	312.10	0.04	-52.68
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C2C=CNC2=CC=N1	REAL300019972333	0	33	-1.0	-52.35	313.94	3.84	-48.51
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C2C=CNC2=CC=N1	REAL300019972333	1	33	-1.0	-52.33	314.00	3.83	-48.50
N#CC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CS1	REAL300019972334	0	28	-1.0	-53.18	299.49	4.98	-48.20
N#CC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CS1	REAL300019972334	1	28	-1.0	-53.14	299.56	4.97	-48.17
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=C1CCCC2	REAL300019972335	0	40	-1.0	-49.50	344.80	7.99	-41.51
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=C1CCCC2	REAL300019972335	1	40	-1.0	-49.45	344.87	7.99	-41.46
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NSC=C1	REAL300019972336	0	26	-1.0	-46.56	274.08	2.98	-43.58
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NSC=C1	REAL300019972336	1	26	-1.0	-46.56	274.02	2.99	-43.57
CCC1CCCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972337	0	39	-1.0	-39.14	336.14	6.41	-32.73
CCC1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972337	1	39	-1.0	-39.13	336.20	6.40	-32.73
C#CCOC(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972338	0	32	-1.0	-44.22	312.95	4.69	-39.53
C#CCOC(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972338	1	32	-1.0	-44.23	313.01	4.68	-39.55
CCC(C)=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972339	0	33	-1.0	-47.11	303.76	5.27	-41.84
CCC(C)=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972339	1	33	-1.0	-47.09	303.83	5.26	-41.83
O=C(C=CC1CCOC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972340	0	35	-1.0	-51.15	322.11	3.89	-47.26
O=C(C=CC1CCOC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972340	1	35	-1.0	-51.09	322.17	3.88	-47.21
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NN2CCCC2=C1	REAL300019972341	0	34	-1.0	-51.39	317.00	4.15	-47.24
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NN2CCCC2=C1	REAL300019972341	1	34	-1.0	-51.34	317.06	4.14	-47.20
N#CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC12CCCC2	REAL300019972342	0	38	-1.0	-38.36	347.48	6.59	-31.77
N#CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC12CCCC2	REAL300019972342	1	38	-1.0	-38.33	347.54	6.58	-31.75
CC1CCCC1(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972343	0	39	-1.0	-39.02	326.76	6.58	-32.44
CC1CCCC1(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972343	1	39	-1.0	-39.02	326.82	6.57	-32.45
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=C(C#N)N1	REAL300019972344	0	32	-1.0	-47.88	313.69	4.24	-43.64
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=C(C#N)N1	REAL300019972344	1	32	-1.0	-47.81	313.76	4.23	-43.58
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C2CCCN2N=C1	REAL300019972345	0	34	-1.0	-50.80	316.31	4.06	-46.74
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C2CCCN2N=C1	REAL300019972345	1	34	-1.0	-50.78	316.37	4.06	-46.72
O=C(C=CC1=CNN=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972346	0	31	-1.0	-50.99	303.17	3.24	-47.75
O=C(C=CC1=CNN=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972346	1	31	-1.0	-51.01	303.10	3.25	-47.76
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)NN=C1	REAL300019972347	0	29	-1.0	-52.06	287.77	1.05	-51.01
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)NN=C1	REAL300019972347	1	29	-1.0	-52.01	287.84	1.04	-50.97
CC1=NOC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972348	0	31	-1.0	-45.81	297.80	3.77	-42.04
CC1=NOC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972348	1	31	-1.0	-45.78	297.86	3.76	-42.02
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1CNC(=O)O1	REAL300019972349	0	29	-1.0	-49.89	284.61	0.17	-49.72
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1CNC(=O)O1	REAL300019972349	1	29	-1.0	-49.86	284.67	0.15	-49.71
C[Si](C)(C)CCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972350	0	41	-1.0	-41.06	367.40	8.59	-32.47
C[Si](C)(C)CCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972350	1	41	-1.0	-41.02	367.45	8.59	-32.43
CN1C=C(C=C(C#N)C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019972351	0	35	-1.0	-45.45	338.71	4.67	-40.78
CN1C=C(C=C(C#N)C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019972351	1	35	-1.0	-45.42	338.78	4.67	-40.75
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC2=NC=CN2C1	REAL300019972352	0	37	-1.0	-42.45	332.02	5.64	-36.81
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2=NC=CN2C1	REAL300019972352	1	37	-1.0	-42.44	332.08	5.63	-36.81
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972353	0	37	-1.0	-43.07	343.27	6.74	-36.33
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972353	1	37	-1.0	-43.10	343.34	6.74	-36.36
CC1=NN=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019972354	0	28	-1.0	-44.99	292.95	2.26	-42.73
CC1=NN=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019972354	1	28	-1.0	-45.00	292.74	2.28	-42.72
C=CC(C)(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972355	0	33	-1.0	-38.96	299.37	4.83	-34.13
C=CC(C)(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972355	1	33	-1.0	-38.88	299.44	4.82	-34.06
CC(F)(F)C(C)(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972356	0	35	-1.0	-44.28	313.94	5.03	-39.25
CC(F)(F)C(C)(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972356	1	35	-1.0	-44.27	314.00	5.02	-39.25
CC(=O)N[C@H](C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(C)(C)C	REAL300019972357	0	42	-1.0	-45.10	356.48	3.89	-41.21
CC(=O)N[C@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(C)(C)C	REAL300019972357	1	42	-1.0	-39.42	356.57	3.90	-35.52
O=C(CSC1CC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972358	0	31	-1.0	-50.99	307.54	5.35	-45.64
O=C(CSC1CC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972358	1	31	-1.0	-50.99	307.61	5.34	-45.65
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(C(F)(F)F)CCC1	REAL300019972359	0	33	-1.0	-45.02	311.16	5.46	-39.56
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(C(F)(F)F)CCC1	REAL300019972359	1	33	-1.0	-45.00	311.23	5.45	-39.55
CC1=C(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=NN1C	REAL300019972360	0	36	-1.0	-55.25	333.77	4.43	-50.82
CC1=C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=NN1C	REAL300019972360	1	36	-1.0	-55.20	333.84	4.42	-50.78
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C2OCCCN2N=C1	REAL300019972361	0	35	-1.0	-55.13	324.57	2.68	-52.45
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C2OCCCN2N=C1	REAL300019972361	1	35	-1.0	-55.55	324.22	2.70	-52.85
CC1=CC(C#N)=CN=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972362	0	33	-1.0	-44.99	321.54	4.88	-40.11
CC1=CC(C#N)=CN=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972362	1	33	-1.0	-44.99	321.47	4.89	-40.10
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@H]1C[C@@H]1C1CC1	REAL300019972363	0	34	-1.0	-39.11	316.53	6.22	-32.89
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@H]1C[C@@H]1C1CC1	REAL300019972363	1	34	-1.0	-39.16	316.60	6.21	-32.95
CC1=NN(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019972364	0	33	-1.0	-60.06	314.57	4.20	-55.86
CC1=NN(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019972364	1	33	-1.0	-59.99	314.64	4.20	-55.79
COC1CCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972365	0	40	-1.0	-51.24	345.85	4.75	-46.49
COC1CCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972365	1	40	-1.0	-51.22	345.91	4.74	-46.48
CNC(=O)NCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972366	0	35	-1.0	-50.20	328.09	0.17	-50.03
CNC(=O)NCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972366	1	35	-1.0	-50.16	328.15	0.16	-50.00
CCN1N=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972367	0	32	-1.0	-46.32	310.00	2.49	-43.83
CCN1N=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972367	1	32	-1.0	-46.36	309.94	2.50	-43.86
CCOC1=NNC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972368	0	34	-1.0	-47.34	325.13	0.72	-46.62
CCOC1=NNC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972368	1	34	-1.0	-47.55	324.78	0.75	-46.80
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC2=CN=CN2C1	REAL300019972369	0	37	-1.0	-50.57	332.68	6.35	-44.22
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2=CN=CN2C1	REAL300019972369	1	37	-1.0	-50.55	332.74	6.34	-44.21
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC2=CC=CC=C2C1	REAL300019972370	0	37	-1.0	-49.37	334.49	7.25	-42.12
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC2=CC=CC=C2C1	REAL300019972370	1	37	-1.0	-49.32	334.56	7.24	-42.08
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(C2CC2)=NO1	REAL300019972371	0	36	-1.0	-47.40	342.66	5.93	-41.47
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(C2CC2)=NO1	REAL300019972371	1	36	-1.0	-47.37	342.73	5.92	-41.45
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC=CN2C=CN=C12	REAL300019972372	0	32	-1.0	-59.74	311.71	4.48	-55.26
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC=CN2C=CN=C12	REAL300019972372	1	32	-1.0	-59.79	311.64	4.49	-55.30
CC(C)(C)N1C=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972373	0	38	-1.0	-53.74	348.23	5.79	-47.95
CC(C)(C)N1C=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972373	1	38	-1.0	-53.75	348.17	5.79	-47.96
CCCC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=NO1	REAL300019972374	0	35	-1.0	-44.67	331.45	5.16	-39.51
CCCC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=NO1	REAL300019972374	1	35	-1.0	-44.66	331.51	5.16	-39.50
NC1=NC(Cl)=CC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972375	0	31	-1.0	-47.16	309.58	3.28	-43.88
NC1=NC(Cl)=CC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972375	1	31	-1.0	-47.17	309.52	3.29	-43.88
CCC1=CC=C(C#CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019972376	0	38	-1.0	-47.62	362.46	8.32	-39.30
CCC1=CC=C(C#CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019972376	1	38	-1.0	-47.34	362.53	8.31	-39.03
N#CC1=CSC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972377	0	28	-1.0	-62.24	297.23	4.74	-57.50
N#CC1=CSC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972377	1	28	-1.0	-62.68	297.02	4.74	-57.94
CCC1CC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972378	0	33	-1.0	-38.95	299.97	5.44	-33.51
CCC1CC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972378	1	33	-1.0	-47.99	300.34	5.42	-42.57
CC(C)(C)C1=NNC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972379	0	39	-1.0	-50.96	338.79	4.35	-46.61
CC(C)(C)C1=NNC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972379	1	39	-1.0	-50.91	338.86	4.35	-46.56
CC(C)(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=NN1	REAL300019972379	1	39	-1.0	-45.99	337.95	4.31	-41.68
CC(C)(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=NN1	REAL300019972379	1	39	-1.0	-45.94	338.01	4.31	-41.63
O=C(CC1=NC=CN1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972380	0	30	-1.0	-60.27	291.03	2.92	-57.35
O=C(CC1=NC=CN1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972380	1	30	-1.0	-60.21	291.09	2.91	-57.30
C=CC(O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972381	0	28	-1.0	-39.64	273.79	1.70	-37.94
C=CC(O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972381	1	28	-1.0	-39.62	273.85	1.69	-37.93
O=C(CCC1=NOC=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972382	0	32	-1.0	-50.06	308.54	4.29	-45.77
O=C(CCC1=NOC=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972382	1	32	-1.0	-50.02	308.60	4.28	-45.74
CC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(C)(F)F	REAL300019972383	0	32	-1.0	-43.99	299.06	4.64	-39.35
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(C)(F)F	REAL300019972383	1	32	-1.0	-44.36	299.38	4.62	-39.74
CC(O)(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL300019972384	0	37	-1.0	-45.78	325.58	2.93	-42.85
CC(O)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL300019972384	1	37	-1.0	-45.73	325.64	2.92	-42.81
CCN1N=NC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972385	0	32	-1.0	-38.41	298.88	3.19	-35.22
CCN1N=NC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972385	1	32	-1.0	-38.39	298.83	3.20	-35.19
N#CCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972386	0	30	-1.0	-48.44	294.78	4.49	-43.95
N#CCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972386	1	30	-1.0	-48.44	294.84	4.48	-43.96
CC1=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C(C)N1	REAL300019972387	0	33	-1.0	-48.52	310.44	3.48	-45.04
CC1=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C(C)N1	REAL300019972387	1	33	-1.0	-48.47	310.50	3.47	-45.00
CC1=NC(C)=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N1	REAL300019972387	1	33	-1.0	-50.25	309.74	3.50	-46.75
CCN1N=C(C)C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972388	0	35	-1.0	-45.88	328.51	3.09	-42.79
CCN1N=C(C)C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972388	1	35	-1.0	-45.87	328.58	3.08	-42.79
CC(F)(F)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972389	0	26	-1.0	-36.00	264.19	3.39	-32.61
CC(F)(F)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972389	1	26	-1.0	-36.00	264.26	3.38	-32.62
O=C(CC1=CN=CC(O)=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972390	0	33	-1.0	-55.28	318.33	1.55	-53.73
O=C(CC1=CN=CC(O)=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972390	1	33	-1.0	-55.28	318.39	1.53	-53.75
CN1C=NN(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1=O	REAL300019972391	0	36	-1.0	-48.36	341.79	5.17	-43.19
CN1C=NN(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1=O	REAL300019972391	1	36	-1.0	-48.31	341.85	5.16	-43.15
NS(=O)(=O)C1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972392	0	32	-1.0	-48.68	308.00	-0.61	-49.29
NS(=O)(=O)C1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972392	1	32	-1.0	-48.62	308.07	-0.62	-49.24
CC1=NC=CC(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972393	0	37	-1.0	-49.39	344.59	4.99	-44.40
CC1=NC=CC(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972393	1	37	-1.0	-49.35	344.65	4.98	-44.37
O=C(CCN1C=NC=CC1=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972394	0	35	-1.0	-56.69	332.43	4.98	-51.71
O=C(CCN1C=NC=CC1=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972394	1	35	-1.0	-56.72	332.36	4.99	-51.73
CC(=O)C1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CS1	REAL300019972395	0	32	-1.0	-59.23	320.81	5.00	-54.23
CC(=O)C1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CS1	REAL300019972395	1	32	-1.0	-59.20	320.88	4.99	-54.21
COC1=CN=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=C1	REAL300019972396	0	32	-1.0	-51.58	310.43	2.27	-49.31
COC1=CN=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=C1	REAL300019972396	1	32	-1.0	-51.62	310.37	2.28	-49.34
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC2CCC1CC2	REAL300019972397	0	40	-1.0	-39.14	330.41	6.63	-32.51
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC2CCC1CC2	REAL300019972397	1	40	-1.0	-39.10	330.47	6.62	-32.48
COCN1C=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972398	0	34	-1.0	-48.69	325.52	1.97	-46.72
COCN1C=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972398	1	34	-1.0	-48.76	325.46	1.98	-46.78
C=CCC(C)(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972399	0	36	-1.0	-38.48	319.77	5.53	-32.95
C=CCC(C)(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972399	1	36	-1.0	-38.49	319.84	5.52	-32.97
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=CN1C(C)C	REAL300019972400	0	40	-1.0	-49.83	353.67	7.02	-42.81
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CN1C(C)C	REAL300019972400	1	40	-1.0	-49.80	353.74	7.01	-42.79
N#CC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972401	0	31	-1.0	-62.49	300.15	4.84	-57.65
N#CC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972401	1	31	-1.0	-62.47	300.21	4.83	-57.64
CC1=CSC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972402	0	30	-1.0	-47.66	301.59	5.18	-42.48
CC1=CSC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972402	1	30	-1.0	-47.64	301.66	5.17	-42.47
O=C(CC1=CNC2=CN=CC=C12)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972403	0	36	-1.0	-46.76	338.80	4.50	-42.26
O=C(CC1=CNC2=CN=CC=C12)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972403	1	36	-1.0	-56.65	339.16	4.48	-52.17
CCCC(OC)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972404	0	36	-1.0	-39.92	326.93	4.81	-35.11
CCCC(OC)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972404	1	36	-1.0	-40.53	327.24	4.82	-35.71
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC=CC=C1Cl	REAL300019972405	0	29	-1.0	-49.84	297.36	4.31	-45.53
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC=CC=C1Cl	REAL300019972405	1	29	-1.0	-49.87	297.30	4.31	-45.56
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NN2CCCNC2=N1	REAL300019972406	0	35	-1.0	-53.95	325.49	4.47	-49.48
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NN2CCCNC2=N1	REAL300019972406	1	35	-1.0	-53.96	325.43	4.47	-49.49
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(C2CC2)OC=N1	REAL300019972407	0	33	-1.0	-47.06	316.39	2.50	-44.56
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(C2CC2)OC=N1	REAL300019972407	1	33	-1.0	-47.05	316.33	2.51	-44.54
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CS1	REAL300019972408	0	27	-1.0	-53.48	284.77	4.59	-48.89
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CS1	REAL300019972408	1	27	-1.0	-53.44	284.83	4.58	-48.86
COCC(C)C(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972409	0	39	-1.0	-40.59	338.25	4.17	-36.42
COCC(C)C(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972409	1	39	-1.0	-40.90	338.57	4.15	-36.75
CCC[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972410	0	36	-1.0	-39.01	326.95	6.20	-32.81
CCC[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972410	1	36	-1.0	-48.36	327.31	6.18	-42.18
CN1C=CC(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972411	0	36	-1.0	-51.53	336.39	4.70	-46.83
CN1C=CC(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972411	1	36	-1.0	-51.49	336.45	4.69	-46.80
COC(C)(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL300019972412	0	37	-1.0	-39.18	322.74	4.89	-34.29
COC(C)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL300019972412	1	37	-1.0	-39.14	322.80	4.88	-34.26
COC1CCCCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972413	0	40	-1.0	-39.54	344.58	5.70	-33.84
COC1CCCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972413	1	40	-1.0	-48.91	345.00	5.70	-43.21
CC1=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C(C)O1	REAL300019972414	0	32	-1.0	-45.46	306.54	1.69	-43.77
CC1=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C(C)O1	REAL300019972414	1	32	-1.0	-45.41	306.60	1.68	-43.73
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1Cl	REAL300019972415	0	30	-1.0	-48.19	306.48	6.10	-42.09
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1Cl	REAL300019972415	1	30	-1.0	-48.15	306.54	6.08	-42.07
CCC(O)CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972416	0	33	-1.0	-43.09	304.60	2.28	-40.81
CCC(O)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972416	1	33	-1.0	-43.10	304.66	2.27	-40.83
CC(C)N1C=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019972417	0	35	-1.0	-45.52	329.32	3.21	-42.31
CC(C)N1C=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019972417	1	35	-1.0	-45.54	329.26	3.21	-42.33
O=C(CCCC1CC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972418	0	36	-1.0	-39.77	326.76	6.33	-33.44
O=C(CCCC1CC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972418	1	36	-1.0	-39.78	326.83	6.32	-33.46
O=C(CCC1=NC=CC=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972419	0	34	-1.0	-51.97	323.54	4.20	-47.77
O=C(CCC1=NC=CC=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972419	1	34	-1.0	-51.91	323.60	4.19	-47.72
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC2=CN=CC=C2O1	REAL300019972420	0	32	-1.0	-45.64	313.92	4.16	-41.48
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC2=CN=CC=C2O1	REAL300019972420	1	32	-1.0	-45.78	313.57	4.18	-41.60
O=C(CCC1=CN=CS1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972421	0	32	-1.0	-48.83	318.41	4.22	-44.61
O=C(CCC1=CN=CS1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972421	1	32	-1.0	-48.88	318.34	4.23	-44.65
CC1=CC=CC(Cl)=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972422	0	33	-1.0	-50.45	326.83	6.33	-44.12
CC1=CC=CC(Cl)=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972422	1	33	-1.0	-50.42	326.89	6.33	-44.09
CC1=NC(C2CC2)=CC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972423	0	39	-1.0	-49.77	348.41	6.43	-43.34
CC1=NC(C2CC2)=CC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972423	1	39	-1.0	-49.72	348.48	6.42	-43.30
CC(C)(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL300019972424	0	39	-1.0	-47.30	329.33	6.34	-40.96
CC(C)(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL300019972424	1	39	-1.0	-47.25	329.40	6.33	-40.92
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCC2=C1NN=N2	REAL300019972425	0	36	-1.0	-41.87	321.82	3.20	-38.67
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC2=C1NN=N2	REAL300019972425	1	36	-1.0	-41.89	321.88	3.19	-38.70
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCC2=NNN=C21	REAL300019972425	1	36	-1.0	-41.95	324.47	3.00	-38.95
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC2=NNN=C21	REAL300019972425	1	36	-1.0	-41.91	324.54	3.00	-38.91
CCC1=NC(C)=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972426	0	35	-1.0	-45.59	327.99	2.35	-43.24
CCC1=NC(C)=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972426	1	35	-1.0	-45.56	328.05	2.34	-43.22
N#CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972427	0	28	-1.0	-45.49	282.32	4.22	-41.27
N#CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972427	1	28	-1.0	-45.46	282.38	4.21	-41.25
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(Br)CC1	REAL300019972428	0	27	-1.0	-43.86	282.59	4.65	-39.21
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(Br)CC1	REAL300019972428	1	27	-1.0	-43.82	282.66	4.64	-39.18
CN1N=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972429	0	28	-1.0	-48.11	283.07	1.22	-46.89
CN1N=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972429	1	28	-1.0	-48.07	283.00	1.23	-46.84
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NOC(CO)=C1	REAL300019972430	0	30	-1.0	-47.36	299.87	0.26	-47.10
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NOC(CO)=C1	REAL300019972430	1	30	-1.0	-47.32	299.94	0.25	-47.07
O=C(CC1=CC=NC(F)=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972431	0	32	-1.0	-45.26	313.47	4.37	-40.89
O=C(CC1=CC=NC(F)=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972431	1	32	-1.0	-55.18	313.83	4.35	-50.83
CC1=CC=C(O)C=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972432	0	34	-1.0	-48.20	314.43	3.35	-44.85
CC1=CC=C(O)C=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972432	1	34	-1.0	-48.15	314.50	3.34	-44.81
COCC1=NOC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972433	0	33	-1.0	-53.80	318.64	2.62	-51.18
COCC1=NOC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972433	1	33	-1.0	-53.75	318.71	2.61	-51.14
COC(=O)CC(C)CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972434	0	38	-1.0	-46.76	342.01	5.22	-41.54
COC(=O)CC(C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972434	1	38	-1.0	-46.74	342.08	5.21	-41.53
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(C2CC2)N=CO1	REAL300019972435	0	33	-1.0	-47.79	316.09	2.49	-45.30
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(C2CC2)N=CO1	REAL300019972435	1	33	-1.0	-47.76	316.15	2.48	-45.28
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(F)CCCCC1	REAL300019972436	0	36	-1.0	-45.98	318.58	5.71	-40.27
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(F)CCCCC1	REAL300019972436	1	36	-1.0	-45.91	318.65	5.70	-40.21
N#CC1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972437	0	30	-1.0	-47.23	305.78	4.08	-43.15
N#CC1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972437	1	30	-1.0	-47.28	305.71	4.09	-43.19
CC1=CC=C(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019972438	0	36	-1.0	-39.80	345.67	6.89	-32.91
CC1=CC=C(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019972438	1	36	-1.0	-39.74	345.73	6.88	-32.86
CC(=O)C1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N1	REAL300019972439	0	33	-1.0	-49.53	320.20	3.72	-45.81
CC(=O)C1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N1	REAL300019972439	1	33	-1.0	-49.46	320.27	3.72	-45.74
O=C(CC1CCCC(=O)N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972440	0	37	-1.0	-57.48	329.82	2.86	-54.62
O=C(CC1CCCC(=O)N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972440	1	37	-1.0	-57.45	329.88	2.86	-54.59
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCSC1	REAL300019972441	0	34	-1.0	-38.33	312.92	5.49	-32.84
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCSC1	REAL300019972441	1	34	-1.0	-38.33	312.99	5.48	-32.85
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NN2CCOC2=C1	REAL300019972442	0	32	-1.0	-50.05	307.98	1.24	-48.81
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NN2CCOC2=C1	REAL300019972442	1	32	-1.0	-50.15	307.91	1.25	-48.90
CC1CC1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972443	0	33	-1.0	-39.49	302.43	5.39	-34.10
CC1CC1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972443	1	33	-1.0	-39.44	302.50	5.38	-34.06
C#CC1=CC=CC=C1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972444	0	35	-1.0	-50.95	337.61	7.26	-43.69
C#CC1=CC=CC=C1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972444	1	35	-1.0	-50.91	337.67	7.25	-43.66
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC2=NON=C2C=C1	REAL300019972445	0	31	-1.0	-50.53	302.81	4.36	-46.17
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC2=NON=C2C=C1	REAL300019972445	1	31	-1.0	-50.34	303.03	4.35	-45.99
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1CC(=O)NC(=O)N1	REAL300019972446	0	32	-1.0	-62.99	307.82	-1.05	-64.04
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1CC(=O)NC(=O)N1	REAL300019972446	1	32	-1.0	-62.98	307.88	-1.05	-64.03
O=C(C=CCN1CCOCC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972447	0	40	-1.0	-49.60	355.60	2.35	-47.25
O=C(C=CCN1CCOCC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972447	1	40	-1.0	-49.61	355.67	2.34	-47.27
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC2=NN=CN2C1	REAL300019972448	0	36	-1.0	-46.01	326.57	6.32	-39.69
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2=NN=CN2C1	REAL300019972448	1	36	-1.0	-45.96	326.63	6.31	-39.65
COCC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCOCC1	REAL300019972449	0	41	-1.0	-46.97	347.04	3.41	-43.56
COCC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCOCC1	REAL300019972449	1	41	-1.0	-46.94	347.11	3.40	-43.54
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCCCC(=O)C1	REAL300019972450	0	41	-1.0	-46.54	340.59	5.85	-40.69
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCCCC(=O)C1	REAL300019972450	1	41	-1.0	-46.50	340.65	5.84	-40.66
CC(C)C1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=C1	REAL300019972451	0	38	-1.0	-46.43	345.21	5.66	-40.77
CC(C)C1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=C1	REAL300019972451	1	38	-1.0	-46.45	345.14	5.67	-40.78
C=CC(=O)N(CC)CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972452	0	37	-1.0	-45.25	343.44	4.76	-40.49
C=CC(=O)N(CC)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972452	1	37	-1.0	-45.25	343.50	4.75	-40.50
O=C(CC1=CN=CC=C1Cl)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972453	0	32	-1.0	-50.36	321.87	4.82	-45.54
O=C(CC1=CN=CC=C1Cl)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972453	1	32	-1.0	-50.35	321.81	4.83	-45.52
CCOC(=O)C(C)(C)CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972454	0	41	-1.0	-39.02	361.16	6.03	-32.99
CCOC(=O)C(C)(C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972454	1	41	-1.0	-39.01	361.22	6.02	-32.99
CN1C=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019972455	0	29	-1.0	-46.72	288.96	1.82	-44.90
CN1C=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019972455	1	29	-1.0	-46.78	288.90	1.83	-44.95
NC(=O)C1CCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972456	0	34	-1.0	-53.33	315.95	1.15	-52.18
NC(=O)C1CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972456	1	34	-1.0	-53.24	316.01	1.14	-52.10
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(CO)=NO1	REAL300019972457	0	33	-1.0	-46.30	322.55	0.98	-45.32
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(CO)=NO1	REAL300019972457	1	33	-1.0	-46.27	322.62	0.97	-45.30
CC(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=CS1	REAL300019972458	0	35	-1.0	-46.82	332.90	4.66	-42.16
CC(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=CS1	REAL300019972458	1	35	-1.0	-46.88	332.82	4.66	-42.22
CC(C)(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL300019972459	0	36	-1.0	-39.43	314.05	5.66	-33.77
CC(C)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL300019972459	1	36	-1.0	-49.09	314.12	5.65	-43.44
CC1=NSC(C)=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972460	0	32	-1.0	-45.89	317.59	4.32	-41.57
CC1=NSC(C)=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972460	1	32	-1.0	-45.86	317.65	4.31	-41.55
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN(CCF)N=C1	REAL300019972461	0	33	-1.0	-48.93	321.06	4.26	-44.67
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN(CCF)N=C1	REAL300019972461	1	33	-1.0	-48.94	320.99	4.27	-44.67
CCC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CC=C1O	REAL300019972462	0	37	-1.0	-50.62	340.38	4.15	-46.47
CCC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CC=C1O	REAL300019972462	1	37	-1.0	-50.53	340.46	4.15	-46.38
COC(=O)C1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N1	REAL300019972463	0	34	-1.0	-48.31	331.65	3.87	-44.44
COC(=O)C1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N1	REAL300019972463	1	34	-1.0	-48.27	331.71	3.86	-44.41
CN1C=NC2=C(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)C=CN=C21	REAL300019972464	0	35	-1.0	-61.33	330.73	6.14	-55.19
CN1C=NC2=C(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)C=CN=C21	REAL300019972464	1	35	-1.0	-61.34	330.67	6.15	-55.19
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(C2CC2)N=NS1	REAL300019972465	0	32	-1.0	-37.57	319.33	4.28	-33.29
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(C2CC2)N=NS1	REAL300019972465	1	32	-1.0	-45.17	319.38	4.26	-40.91
CN1C=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(C2CC2)=N1	REAL300019972466	0	37	-1.0	-54.58	342.21	5.44	-49.14
CN1C=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(C2CC2)=N1	REAL300019972466	1	37	-1.0	-54.56	342.27	5.44	-49.12
CCCC1=NC(C)=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972467	0	38	-1.0	-45.13	349.49	3.12	-42.01
CCCC1=NC(C)=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972467	1	38	-1.0	-45.13	349.55	3.11	-42.02
CC(C)[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972468	0	45	0.0	-71.12	366.69	6.76	-64.36
CC(C)[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972468	1	45	0.0	-71.08	366.75	6.75	-64.33
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C12CCC(F)(CC1)CC2	REAL300019972469	0	40	-1.0	-47.87	338.94	6.63	-41.24
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CCC(F)(CC1)CC2	REAL300019972469	1	40	-1.0	-47.82	339.00	6.62	-41.20
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(F)CCOC1	REAL300019972470	0	31	-1.0	-45.10	293.16	2.57	-42.53
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(F)CCOC1	REAL300019972470	1	31	-1.0	-45.04	293.22	2.55	-42.49
CC(C)C(=O)N[C@@H](CO)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972471	0	40	-1.0	-49.56	361.20	-0.11	-49.67
CC(C)C(=O)N[C@@H](CO)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972471	1	40	-1.0	-49.52	361.27	-0.11	-49.63
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(CCF)CC1	REAL300019972472	0	33	-1.0	-39.16	311.69	5.33	-33.83
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(CCF)CC1	REAL300019972472	1	33	-1.0	-39.11	311.84	5.31	-33.80
CCC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=CN1C	REAL300019972473	0	37	-1.0	-50.69	334.26	6.31	-44.38
CCC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CN1C	REAL300019972473	1	37	-1.0	-50.69	334.32	6.30	-44.39
O=C(CN1C=CN=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972474	0	30	-1.0	-56.93	293.29	5.26	-51.67
O=C(CN1C=CN=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972474	1	30	-1.0	-56.91	293.36	5.25	-51.66
N#CC1=CC=NC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972475	0	30	-1.0	-57.90	300.16	3.99	-53.91
N#CC1=CC=NC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972475	1	30	-1.0	-57.52	300.39	3.99	-53.53
O=C(CN1C=C(Cl)C=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972476	0	30	-1.0	-57.95	309.79	4.13	-53.82
O=C(CN1C=C(Cl)C=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972476	1	30	-1.0	-57.98	309.73	4.14	-53.84
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(C(F)F)CCCC1	REAL300019972477	0	36	-1.0	-39.14	324.79	5.78	-33.36
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(C(F)F)CCCC1	REAL300019972477	1	36	-1.0	-39.10	324.86	5.77	-33.33
CC1=NN=C(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972478	0	31	-1.0	-57.32	304.55	-0.89	-58.21
CC1=NN=C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972478	1	31	-1.0	-57.36	304.62	-0.90	-58.26
CC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019972479	0	39	-1.0	-48.55	329.87	6.31	-42.24
CC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019972479	1	39	-1.0	-48.55	329.94	6.30	-42.25
O=C(COCC1=CC=NC=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972480	0	36	-1.0	-45.89	341.79	4.74	-41.15
O=C(COCC1=CC=NC=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972480	1	36	-1.0	-45.84	341.86	4.73	-41.11
N#CCCCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972481	0	36	-1.0	-47.00	337.78	6.05	-40.95
N#CCCCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972481	1	36	-1.0	-46.98	337.84	6.04	-40.94
C[C@H](CC1=CC=CC=C1)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972482	0	39	-1.0	-47.98	349.16	7.47	-40.51
C[C@H](CC1=CC=CC=C1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972482	1	39	-1.0	-47.95	349.22	7.47	-40.48
O=C(CC1(C(F)(F)F)CC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972483	0	33	-1.0	-51.67	319.25	5.51	-46.16
O=C(CC1(C(F)(F)F)CC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972483	1	33	-1.0	-51.60	319.32	5.50	-46.10
CCOC1CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972484	0	37	-1.0	-41.65	334.50	4.42	-37.23
CCOC1CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972484	1	37	-1.0	-41.71	334.56	4.41	-37.30
O=C(COCC1=CC=CN=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972485	0	36	-1.0	-56.10	341.82	4.70	-51.40
O=C(COCC1=CC=CN=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972485	1	36	-1.0	-56.14	341.75	4.71	-51.43
CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019972486	0	37	-1.0	-50.55	344.60	5.35	-45.20
CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019972486	1	37	-1.0	-50.59	344.54	5.36	-45.23
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL300019972487	0	36	-1.0	-40.73	335.01	5.75	-34.98
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL300019972487	1	36	-1.0	-40.75	334.95	5.75	-35.00
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC2=NC=CC=C2C=C1	REAL300019972488	0	34	-1.0	-51.11	325.97	5.02	-46.09
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC2=NC=CC=C2C=C1	REAL300019972488	1	34	-1.0	-51.11	325.91	5.02	-46.09
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)NC(=O)N1	REAL300019972489	0	31	-1.0	-46.78	297.22	0.85	-45.93
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)NC(=O)N1	REAL300019972489	1	31	-1.0	-46.60	297.57	0.83	-45.77
CC1=NN=C(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N1	REAL300019972490	0	32	-1.0	-65.92	307.65	3.44	-62.48
CC1=NN=C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N1	REAL300019972490	1	32	-1.0	-65.85	307.72	3.44	-62.41
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCNC1=O	REAL300019972491	0	31	-1.0	-41.81	293.06	0.79	-41.02
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCNC1=O	REAL300019972491	1	31	-1.0	-41.83	293.12	0.79	-41.04
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NNC(C(F)F)=C1	REAL300019972492	0	30	-1.0	-51.34	305.43	2.79	-48.55
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NNC(C(F)F)=C1	REAL300019972492	1	30	-1.0	-51.32	305.49	2.78	-48.54
C[N@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL300019972493	0	39	0.0	-63.50	334.30	5.90	-57.60
C[N@@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL300019972493	1	39	0.0	-64.45	333.93	5.91	-58.54
CN(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL300019972493	1	38	-1.0	-49.11	332.25	3.71	-45.40
CN(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL300019972493	1	38	-1.0	-49.11	332.31	3.70	-45.41
O=C(C=CC1=NC=CN1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972494	0	31	-1.0	-49.43	304.46	3.65	-45.78
O=C(C=CC1=NC=CN1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972494	1	31	-1.0	-49.38	304.53	3.64	-45.74
CC(CC1=CNC=N1)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972495	0	36	-1.0	-52.00	330.91	5.06	-46.94
CC(CC1=CNC=N1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972495	1	36	-1.0	-51.91	330.98	5.05	-46.86
O=C(CC1CCC(=O)NC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972496	0	37	-1.0	-55.09	329.28	2.46	-52.63
O=C(CC1CCC(=O)NC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972496	1	37	-1.0	-45.97	329.09	2.47	-43.50
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=CN=C1C1CC1	REAL300019972497	0	35	-1.0	-46.89	325.58	5.83	-41.06
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=CN=C1C1CC1	REAL300019972497	1	35	-1.0	-46.85	325.65	5.83	-41.02
O=C(COCC1CCCC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972498	0	40	-1.0	-42.14	352.37	6.19	-35.95
O=C(COCC1CCCC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972498	1	40	-1.0	-42.13	352.44	6.18	-35.95
O=C(CC1CC2CCC1O2)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972499	0	38	-1.0	-47.51	330.53	4.40	-43.11
O=C(CC1CC2CCC1O2)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972499	1	38	-1.0	-47.42	330.60	4.39	-43.03
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCN2C=CN=C2C1	REAL300019972500	0	37	-1.0	-50.92	333.04	5.65	-45.27
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCN2C=CN=C2C1	REAL300019972500	1	37	-1.0	-50.85	333.10	5.64	-45.21
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(C2CCC2)CCC1	REAL300019972501	0	40	-1.0	-38.82	333.14	7.01	-31.81
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(C2CCC2)CCC1	REAL300019972501	1	40	-1.0	-38.81	333.19	7.00	-31.81
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(C2CC2)=N1	REAL300019972502	0	39	-1.0	-50.21	351.38	6.68	-43.53
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(C2CC2)=N1	REAL300019972502	1	39	-1.0	-50.20	351.45	6.67	-43.53
CC1(C)CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972503	0	40	-1.0	-47.61	339.82	6.67	-40.94
CC1(C)CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972503	1	40	-1.0	-47.54	339.88	6.67	-40.87
CC1CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972504	0	37	-1.0	-47.76	324.74	6.34	-41.42
CC1CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972504	1	37	-1.0	-47.71	324.81	6.33	-41.38
CC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300019972505	0	41	-1.0	-56.58	358.97	6.70	-49.88
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300019972505	1	41	-1.0	-56.56	359.03	6.69	-49.87
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL300019972506	0	35	-1.0	-41.96	310.17	3.67	-38.29
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]2CC[C@@H]1O2	REAL300019972506	1	35	-1.0	-41.97	310.23	3.66	-38.31
CC(CC1=CN(C)N=C1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972507	0	39	-1.0	-42.13	352.90	5.18	-36.95
CC(CC1=CN(C)N=C1)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972507	1	39	-1.0	-42.12	352.84	5.19	-36.93
CC(C)CCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972508	0	41	-1.0	-39.65	355.99	6.82	-32.83
CC(C)CCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972508	1	41	-1.0	-39.65	356.05	6.81	-32.84
CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCCO1	REAL300019972509	0	37	-1.0	-45.34	319.19	4.26	-41.08
CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCCO1	REAL300019972509	1	37	-1.0	-45.32	319.25	4.25	-41.07
C[C@H]1CC[C@@](C)(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1(C)C	REAL300019972510	0	45	-1.0	-50.21	356.02	7.41	-42.80
C[C@H]1CC[C@@](C)(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1(C)C	REAL300019972510	1	45	-1.0	-50.10	356.08	7.40	-42.70
COCC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019972511	0	40	-1.0	-39.50	343.81	5.26	-34.24
COCC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019972511	1	40	-1.0	-39.46	343.87	5.25	-34.21
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL300019972512	0	36	-1.0	-41.86	321.22	5.14	-36.72
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1C[C@H]2CC(=O)[C@@H]1C2	REAL300019972512	1	36	-1.0	-41.86	321.28	5.14	-36.72
CN1C(=O)CCC1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972513	0	37	-1.0	-48.36	329.04	4.00	-44.36
CN1C(=O)CCC1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972513	1	37	-1.0	-48.38	329.11	3.99	-44.39
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCOC(=O)N1	REAL300019972514	0	32	-1.0	-48.16	303.09	0.93	-47.23
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCOC(=O)N1	REAL300019972514	1	32	-1.0	-48.19	303.15	0.92	-47.27
CC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC(=O)N1	REAL300019972515	0	37	-1.0	-47.22	330.78	2.48	-44.74
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC(=O)N1	REAL300019972515	1	37	-1.0	-47.18	330.84	2.47	-44.71
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CSC(CO)=N1	REAL300019972516	0	30	-1.0	-49.42	308.42	-0.13	-49.55
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CSC(CO)=N1	REAL300019972516	1	30	-1.0	-48.96	308.20	-0.12	-49.08
O=C(CCC1=CNN=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972517	0	33	-1.0	-42.85	313.47	3.47	-39.38
O=C(CCC1=CNN=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972517	1	33	-1.0	-42.86	313.41	3.47	-39.39
CCC1=NN=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019972518	0	31	-1.0	-44.47	314.44	3.01	-41.46
CCC1=NN=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019972518	1	31	-1.0	-44.41	314.50	3.00	-41.41
CC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL300019972519	0	36	-1.0	-48.68	318.55	5.86	-42.82
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL300019972519	1	36	-1.0	-48.64	318.62	5.85	-42.79
CC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=NC=C1C#N	REAL300019972520	0	33	-1.0	-45.17	325.27	4.70	-40.47
CC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=NC=C1C#N	REAL300019972520	1	33	-1.0	-45.09	325.33	4.69	-40.40
CCC(CC(F)F)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972521	0	35	-1.0	-40.60	314.96	5.23	-35.37
CCC(CC(F)F)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972521	1	35	-1.0	-40.57	315.02	5.23	-35.34
CCC(C)(C)OCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972522	0	39	-1.0	-41.79	338.12	5.23	-36.56
CCC(C)(C)OCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972522	1	39	-1.0	-41.77	338.18	5.22	-36.55
CC(C)(C)C1CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972523	0	42	-1.0	-48.16	353.07	6.74	-41.42
CC(C)(C)C1CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972523	1	42	-1.0	-48.14	353.13	6.73	-41.41
NS(=O)(=O)CCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972524	0	34	-1.0	-53.40	330.80	-1.03	-54.43
NS(=O)(=O)CCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972524	1	34	-1.0	-53.42	330.86	-1.04	-54.46
O=C(C#CC1CC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972525	0	29	-1.0	-47.97	291.23	5.43	-42.54
O=C(C#CC1CC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972525	1	29	-1.0	-47.98	291.30	5.42	-42.56
CC(C)(C)C#CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972526	0	34	-1.0	-47.55	321.96	5.78	-41.77
CC(C)(C)C#CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972526	1	34	-1.0	-47.53	322.03	5.77	-41.76
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=C2C=CC=NN12	REAL300019972527	0	32	-1.0	-54.47	310.77	4.43	-50.04
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=C2C=CC=NN12	REAL300019972527	1	32	-1.0	-54.53	310.71	4.44	-50.09
CC1(C)C(C#N)C1(C#N)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972528	0	35	-1.0	-44.38	333.65	5.43	-38.95
CC1(C)C(C#N)C1(C#N)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972528	1	35	-1.0	-44.33	333.70	5.43	-38.90
CN(C)C1=CC=CN=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972529	0	37	-1.0	-49.44	337.53	4.43	-45.01
CN(C)C1=CC=CN=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972529	1	37	-1.0	-49.57	337.18	4.45	-45.12
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(CO)CCOCC1	REAL300019972530	0	38	-1.0	-48.11	324.79	1.00	-47.11
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(CO)CCOCC1	REAL300019972530	1	38	-1.0	-48.13	324.85	0.99	-47.14
CC1=NON=C1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972531	0	31	-1.0	-60.79	304.66	2.72	-58.07
CC1=NON=C1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972531	1	31	-1.0	-60.75	304.73	2.71	-58.04
CC1=CN(C)N=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972532	0	33	-1.0	-50.34	311.97	3.99	-46.35
CC1=CN(C)N=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972532	1	33	-1.0	-50.44	311.90	4.00	-46.44
CC(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN(C)N=C1	REAL300019972533	0	39	-1.0	-42.83	352.84	5.27	-37.56
CC(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN(C)N=C1	REAL300019972533	1	39	-1.0	-42.88	352.77	5.28	-37.60
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300019972534	0	37	-1.0	-50.00	340.09	7.55	-42.45
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300019972534	1	37	-1.0	-49.99	340.15	7.54	-42.45
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(O)CCOC1	REAL300019972535	0	32	-1.0	-40.15	294.29	-0.53	-40.68
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(O)CCOC1	REAL300019972535	1	32	-1.0	-40.08	294.34	-0.54	-40.62
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=CC(Cl)=C1	REAL300019972536	0	29	-1.0	-47.13	299.65	4.22	-42.91
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=CC(Cl)=C1	REAL300019972536	1	29	-1.0	-47.13	299.59	4.24	-42.89
O=C(CS(=O)(=O)C1CC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972537	0	33	-1.0	-66.02	324.63	1.94	-64.08
O=C(CS(=O)(=O)C1CC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972537	1	33	-1.0	-65.98	324.70	1.94	-64.04
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(O)C1CCC1	REAL300019972538	0	34	-1.0	-39.08	306.34	3.38	-35.70
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(O)C1CCC1	REAL300019972538	1	34	-1.0	-48.28	306.66	3.35	-44.93
CC(C)CC1=CNC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972539	0	40	-1.0	-51.55	356.83	6.01	-45.54
CC(C)CC1=CNC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972539	1	40	-1.0	-51.55	356.90	6.00	-45.55
CCCC(CC(C)C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972540	0	44	-1.0	-38.69	368.84	7.53	-31.16
CCCC(CC(C)C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972540	1	44	-1.0	-38.64	368.90	7.53	-31.11
CCC(CC(C)C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972541	0	41	-1.0	-38.78	343.54	6.28	-32.50
CCC(CC(C)C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972541	1	41	-1.0	-38.74	343.58	6.27	-32.47
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=CNC2=N1	REAL300019972542	0	33	-1.0	-63.48	317.76	4.80	-58.68
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=CNC2=N1	REAL300019972542	1	33	-1.0	-63.42	317.83	4.79	-58.63
CC(=O)C1=NC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019972543	0	31	-1.0	-45.67	320.48	3.31	-42.36
CC(=O)C1=NC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019972543	1	31	-1.0	-45.63	320.54	3.30	-42.33
CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC(=O)CC1	REAL300019972544	0	38	-1.0	-50.57	328.51	5.22	-45.35
CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC(=O)CC1	REAL300019972544	1	38	-1.0	-50.53	328.58	5.21	-45.32
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NN2CCCCC2=C1	REAL300019972545	0	37	-1.0	-49.97	334.97	4.95	-45.02
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NN2CCCCC2=C1	REAL300019972545	1	37	-1.0	-49.99	335.03	4.94	-45.05
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N(C)N=C1	REAL300019972546	0	33	-1.0	-39.36	311.34	3.96	-35.40
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N(C)N=C1	REAL300019972546	1	33	-1.0	-39.37	311.69	3.95	-35.42
COCC(C)(C)CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972547	0	39	-1.0	-40.84	337.22	4.29	-36.55
COCC(C)(C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972547	1	39	-1.0	-40.80	337.29	4.29	-36.51
CCCCCCOC(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972548	0	45	-1.0	-41.31	393.15	7.28	-34.03
CCCCCCOC(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972548	1	45	-1.0	-41.30	393.22	7.27	-34.03
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC(F)CC1	REAL300019972549	0	36	-1.0	-51.23	318.17	5.77	-45.46
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC(F)CC1	REAL300019972549	1	36	-1.0	-51.18	318.24	5.77	-45.41
CCC1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972550	0	35	-1.0	-47.32	327.30	5.21	-42.11
CCC1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972550	1	35	-1.0	-47.27	327.37	5.20	-42.07
O=C(CC1CC(F)(F)C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972551	0	33	-1.0	-51.94	313.61	5.43	-46.51
O=C(CC1CC(F)(F)C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972551	1	33	-1.0	-51.93	313.67	5.42	-46.51
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=C1C	REAL300019972552	0	35	-1.0	-47.72	323.68	4.95	-42.77
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=C1C	REAL300019972552	1	35	-1.0	-47.66	323.74	4.94	-42.72
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC2=CC=NC=C2C=C1	REAL300019972553	0	34	-1.0	-47.03	326.22	4.17	-42.86
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC2=CC=NC=C2C=C1	REAL300019972553	1	34	-1.0	-47.10	326.16	4.17	-42.93
C[C@]1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C[C@@H]1C1=CC=CC=C1	REAL300019972554	0	40	-1.0	-50.16	352.17	7.96	-42.20
C[C@]1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C[C@@H]1C1=CC=CC=C1	REAL300019972554	1	40	-1.0	-50.11	352.23	7.95	-42.16
CC1=C(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)SC=N1	REAL300019972555	0	35	-1.0	-48.90	337.55	4.74	-44.16
CC1=C(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)SC=N1	REAL300019972555	1	35	-1.0	-48.82	337.61	4.74	-44.08
CCCN1CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1=O	REAL300019972556	0	40	-1.0	-49.85	358.25	4.85	-45.00
CCCN1CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1=O	REAL300019972556	1	40	-1.0	-49.83	358.32	4.84	-44.99
CC(OC1=CC=CC=N1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972557	0	36	-1.0	-42.46	337.70	4.33	-38.13
CC(OC1=CC=CC=N1)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972557	1	36	-1.0	-42.45	337.64	4.34	-38.11
C=CCC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019972558	0	40	-1.0	-39.31	345.95	6.80	-32.51
C=CCC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019972558	1	40	-1.0	-39.28	346.00	6.78	-32.50
COC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=NN1C	REAL300019972559	0	34	-1.0	-51.32	325.07	2.50	-48.82
COC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=NN1C	REAL300019972559	1	34	-1.0	-51.38	325.01	2.51	-48.87
COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972560	0	39	-1.0	-57.82	349.74	5.76	-52.06
COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972560	1	39	-1.0	-57.82	349.80	5.75	-52.07
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL300019972561	0	29	-1.0	-40.58	291.90	4.33	-36.25
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL300019972561	1	29	-1.0	-40.58	291.96	4.32	-36.26
CC1=CC(Cl)=NC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972562	0	32	-1.0	-45.20	315.50	4.85	-40.35
CC1=CC(Cl)=NC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972562	1	32	-1.0	-45.16	315.57	4.84	-40.32
O=C(CC1=CC=CC(C2CC2)=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972563	0	40	-1.0	-41.56	361.65	8.28	-33.28
O=C(CC1=CC=CC(C2CC2)=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972563	1	40	-1.0	-50.92	361.48	8.29	-42.63
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019972564	0	31	-1.0	-46.48	301.74	3.26	-43.22
CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019972564	1	31	-1.0	-46.47	301.80	3.26	-43.21
CC(C)CC(C(N)=O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972565	0	39	-1.0	-45.48	346.16	1.82	-43.66
CC(C)CC(C(N)=O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972565	1	39	-1.0	-45.45	346.22	1.81	-43.64
CCCC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=CN1	REAL300019972566	0	37	-1.0	-50.55	335.89	5.47	-45.08
CCCC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CN1	REAL300019972566	1	37	-1.0	-50.53	335.96	5.46	-45.07
COC(CC(C)C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972567	0	39	-1.0	-39.60	344.14	5.32	-34.28
COC(CC(C)C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972567	1	39	-1.0	-40.11	344.44	5.32	-34.79
COCCN1C=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019972568	0	36	-1.0	-45.64	343.91	1.76	-43.88
COCCN1C=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019972568	1	36	-1.0	-45.75	343.85	1.76	-43.99
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1SCCCS1	REAL300019972569	0	32	-1.0	-40.15	313.25	5.51	-34.64
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1SCCCS1	REAL300019972569	1	32	-1.0	-40.12	313.31	5.50	-34.62
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC2CC2C1	REAL300019972570	0	37	-1.0	-48.36	320.41	6.40	-41.96
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2CC2C1	REAL300019972570	1	37	-1.0	-48.31	320.47	6.39	-41.92
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC12CC2	REAL300019972571	0	31	-1.0	-39.34	295.12	5.45	-33.89
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC12CC2	REAL300019972571	1	31	-1.0	-39.33	295.18	5.45	-33.88
CC1=C(F)C=CC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972572	0	33	-1.0	-49.83	309.01	6.23	-43.60
CC1=C(F)C=CC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972572	1	33	-1.0	-49.78	309.07	6.22	-43.56
CN1C=NC=C1C=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972573	0	34	-1.0	-51.21	322.80	5.86	-45.35
CN1C=NC=C1C=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972573	1	34	-1.0	-51.16	322.86	5.85	-45.31
CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1(F)F	REAL300019972574	0	30	-1.0	-40.85	291.76	4.78	-36.07
CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1(F)F	REAL300019972574	1	30	-1.0	-40.86	291.82	4.77	-36.09
C[C@@](O)(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019972575	0	37	-1.0	-39.18	335.45	3.72	-35.46
C[C@@](O)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019972575	1	37	-1.0	-39.13	335.52	3.71	-35.42
CC1=C(Cl)C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=NN1C	REAL300019972576	0	33	-1.0	-51.60	327.52	4.29	-47.31
CC1=C(Cl)C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=NN1C	REAL300019972576	1	33	-1.0	-51.58	327.58	4.29	-47.29
CN1CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1=O	REAL300019972577	0	37	-1.0	-51.20	330.01	3.74	-47.46
CN1CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1=O	REAL300019972577	1	37	-1.0	-51.17	330.08	3.73	-47.44
CCN1CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1=O	REAL300019972578	0	40	-1.0	-42.99	351.38	4.73	-38.26
CCN1CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1=O	REAL300019972578	1	40	-1.0	-42.90	351.44	4.71	-38.19
CC(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)N1C=CC=N1	REAL300019972579	0	36	-1.0	-48.69	329.19	4.62	-44.07
CC(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)N1C=CC=N1	REAL300019972579	1	36	-1.0	-48.73	329.13	4.63	-44.10
C=CC(=O)N(C)CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972580	0	34	-1.0	-45.93	321.62	3.79	-42.14
C=CC(=O)N(C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972580	1	34	-1.0	-45.90	321.69	3.78	-42.12
O=C(CC1=NN=CN1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972581	0	29	-1.0	-51.94	285.66	3.59	-48.35
O=C(CC1=NN=CN1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972581	1	29	-1.0	-63.48	285.48	3.59	-59.89
O=C(CC1CS(=O)(=O)C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972582	0	33	-1.0	-58.46	319.23	1.16	-57.30
O=C(CC1CS(=O)(=O)C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972582	1	33	-1.0	-58.36	319.29	1.15	-57.21
COC1=NSC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972583	0	30	-1.0	-45.18	308.15	1.36	-43.82
COC1=NSC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972583	1	30	-1.0	-45.22	308.09	1.37	-43.85
CC1=C2OC=C(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)C2=CC=C1	REAL300019972584	0	36	-1.0	-55.06	337.65	6.53	-48.53
CC1=C2OC=C(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)C2=CC=C1	REAL300019972584	1	36	-1.0	-55.02	337.71	6.52	-48.50
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(F)=C1CCC1	REAL300019972585	0	31	-1.0	-43.99	297.22	5.28	-38.71
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(F)=C1CCC1	REAL300019972585	1	31	-1.0	-43.98	297.28	5.27	-38.71
CNC1=CN=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019972586	0	33	-1.0	-48.62	314.55	1.57	-47.05
CNC1=CN=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019972586	1	33	-1.0	-48.69	314.49	1.58	-47.11
CC1CCCCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972587	0	39	-1.0	-39.14	323.22	6.16	-32.98
CC1CCCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972587	1	39	-1.0	-48.40	323.28	6.15	-42.25
C=CCCN1C=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019972588	0	36	-1.0	-45.67	344.55	4.01	-41.66
C=CCCN1C=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019972588	1	36	-1.0	-45.73	344.49	4.02	-41.71
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC2=CN=CC=C2C=C1	REAL300019972589	0	34	-1.0	-46.77	326.21	4.18	-42.59
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC2=CN=CC=C2C=C1	REAL300019972589	1	34	-1.0	-46.83	326.15	4.19	-42.64
NC1=NN(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019972590	0	31	-1.0	-61.65	302.67	4.64	-57.01
NC1=NN(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019972590	1	31	-1.0	-50.49	302.85	4.62	-45.87
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCC(F)C1	REAL300019972591	0	36	-1.0	-50.80	319.76	5.83	-44.97
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC(F)C1	REAL300019972591	1	36	-1.0	-50.75	319.82	5.82	-44.93
CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1(F)Cl	REAL300019972592	0	30	-1.0	-39.43	301.82	5.10	-34.33
CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1(F)Cl	REAL300019972592	1	30	-1.0	-39.36	301.88	5.09	-34.27
C=CCC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCOCC1	REAL300019972593	0	41	-1.0	-48.72	343.49	5.20	-43.52
C=CCC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCOCC1	REAL300019972593	1	41	-1.0	-48.69	343.55	5.20	-43.49
CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1F	REAL300019972594	0	30	-1.0	-46.86	287.06	4.67	-42.19
CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1F	REAL300019972594	1	30	-1.0	-46.81	287.12	4.66	-42.15
C=C(C)C(C)(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972595	0	36	-1.0	-38.61	315.54	5.33	-33.28
C=C(C)C(C)(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972595	1	36	-1.0	-38.79	316.33	5.32	-33.47
CN1CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)NC1=O	REAL300019972596	0	33	-1.0	-48.47	310.68	0.97	-47.50
CN1CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)NC1=O	REAL300019972596	1	33	-1.0	-48.43	310.74	0.95	-47.48
CCC(CC)(CO)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972597	0	39	-1.0	-42.38	330.69	2.15	-40.23
CCC(CC)(CO)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972597	1	39	-1.0	-42.71	331.04	2.13	-40.58
CC1=C(C)CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972598	0	40	-1.0	-47.36	343.83	6.83	-40.53
CC1=C(C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972598	1	40	-1.0	-47.34	343.89	6.83	-40.51
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN2CCCC2=N1	REAL300019972599	0	34	-1.0	-50.90	317.08	5.11	-45.79
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN2CCCC2=N1	REAL300019972599	1	34	-1.0	-50.84	317.43	5.09	-45.75
CON1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972600	0	39	-1.0	-41.05	336.93	2.89	-38.16
CON1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972600	1	39	-1.0	-41.01	336.99	2.88	-38.13
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300019972601	0	42	0.0	-65.19	344.72	5.60	-59.59
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300019972601	1	42	0.0	-67.58	350.38	5.87	-61.71
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300019972601	1	42	0.0	-65.21	344.66	5.62	-59.59
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300019972601	1	42	0.0	-67.59	350.32	5.88	-61.71
CC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=NC=C1	REAL300019972602	0	35	-1.0	-51.68	323.55	4.97	-46.71
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=NC=C1	REAL300019972602	1	35	-1.0	-51.63	323.61	4.96	-46.67
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC2(CCC2)C1	REAL300019972603	0	37	-1.0	-39.06	328.03	6.34	-32.72
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC2(CCC2)C1	REAL300019972603	1	37	-1.0	-39.04	328.09	6.33	-32.71
COC1=CC=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972604	0	33	-1.0	-49.77	314.83	3.11	-46.66
COC1=CC=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972604	1	33	-1.0	-49.84	314.77	3.12	-46.72
CCN1C=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972605	0	33	-1.0	-50.28	314.53	4.15	-46.13
CCN1C=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972605	1	33	-1.0	-50.34	314.47	4.16	-46.18
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(F)CC1	REAL300019972606	0	27	-1.0	-44.13	269.11	4.04	-40.09
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(F)CC1	REAL300019972606	1	27	-1.0	-44.09	269.18	4.03	-40.06
O=C(C=CC1CCCC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972607	0	37	-1.0	-48.20	331.76	6.48	-41.72
O=C(C=CC1CCCC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972607	1	37	-1.0	-48.17	331.82	6.48	-41.69
COC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972608	0	31	-1.0	-37.01	293.38	2.81	-34.20
COC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972608	1	31	-1.0	-37.03	293.42	2.80	-34.23
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC(=O)C1	REAL300019972609	0	32	-1.0	-48.81	299.18	4.20	-44.61
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC(=O)C1	REAL300019972609	1	32	-1.0	-48.80	299.24	4.19	-44.61
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN2CCCCC2=C1	REAL300019972610	0	38	-1.0	-55.48	339.12	6.75	-48.73
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN2CCCCC2=C1	REAL300019972610	1	38	-1.0	-55.20	339.46	6.73	-48.47
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300019972611	0	39	0.0	-70.98	325.36	5.11	-65.87
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300019972611	1	39	0.0	-62.58	330.16	5.28	-57.30
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300019972611	1	39	0.0	-65.59	325.48	5.09	-60.50
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300019972611	1	39	0.0	-62.62	330.10	5.29	-57.33
CCNC1=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CS1	REAL300019972612	0	34	-1.0	-46.39	334.00	3.41	-42.98
CCNC1=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CS1	REAL300019972612	1	34	-1.0	-46.42	333.94	3.42	-43.00
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(NC2=CC=CC=C2)CC1	REAL300019972613	0	39	-1.0	-39.27	353.60	5.92	-33.35
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(NC2=CC=CC=C2)CC1	REAL300019972613	1	39	-1.0	-39.24	353.66	5.92	-33.32
COCC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972614	0	37	-1.0	-39.42	335.96	4.28	-35.14
COCC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972614	1	37	-1.0	-48.32	336.01	4.27	-44.05
CC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1(F)Cl	REAL300019972615	0	33	-1.0	-38.52	323.20	5.75	-32.77
CC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1(F)Cl	REAL300019972615	1	33	-1.0	-38.53	323.26	5.74	-32.79
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972616	0	36	-1.0	-57.31	340.25	5.98	-51.33
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972616	1	36	-1.0	-57.37	340.19	5.99	-51.38
CC(C)CN1N=CC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972617	0	39	-1.0	-37.69	345.03	6.05	-31.64
CC(C)CN1N=CC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972617	1	39	-1.0	-37.69	344.96	6.07	-31.62
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCCC1C1CC1	REAL300019972618	0	43	-1.0	-39.29	359.18	7.47	-31.82
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCCC1C1CC1	REAL300019972618	1	43	-1.0	-39.30	359.25	7.46	-31.84
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NN2CCOCC2=C1	REAL300019972619	0	35	-1.0	-49.89	325.87	2.54	-47.35
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NN2CCOCC2=C1	REAL300019972619	1	35	-1.0	-49.89	325.93	2.54	-47.35
CC(C)=CCCC(C)CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972620	0	45	-1.0	-39.32	382.31	8.01	-31.31
CC(C)=CCCC(C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972620	1	45	-1.0	-39.46	382.65	7.98	-31.48
CN1C=CC(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972621	0	33	-1.0	-58.08	314.47	3.96	-54.12
CN1C=CC(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972621	1	33	-1.0	-58.03	314.53	3.95	-54.08
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(CF)CCC1	REAL300019972622	0	33	-1.0	-47.44	299.44	5.25	-42.19
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(CF)CCC1	REAL300019972622	1	33	-1.0	-47.40	299.50	5.24	-42.16
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=CC=NC=C21	REAL300019972623	0	35	-1.0	-56.76	324.58	5.97	-50.79
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=CC=NC=C21	REAL300019972623	1	35	-1.0	-56.79	324.51	5.97	-50.82
C=CCN1C=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019972624	0	33	-1.0	-46.13	323.04	3.25	-42.88
C=CCN1C=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019972624	1	33	-1.0	-46.19	322.98	3.26	-42.93
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN(C2CCC2)N=N1	REAL300019972625	0	36	-1.0	-45.33	334.17	3.82	-41.51
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN(C2CCC2)N=N1	REAL300019972625	1	36	-1.0	-45.34	334.10	3.83	-41.51
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972626	0	42	-1.0	-39.10	362.33	7.13	-31.97
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972626	1	42	-1.0	-48.43	362.40	7.12	-41.31
CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC2=CC=CC=C21	REAL300019972627	0	40	-1.0	-39.33	351.80	7.78	-31.55
CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC2=CC=CC=C21	REAL300019972627	1	40	-1.0	-39.28	351.87	7.77	-31.51
COC(=O)C12CC(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)(C1)C2	REAL300019972628	0	37	-1.0	-41.56	345.53	5.75	-35.81
COC(=O)C12CC(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)(C1)C2	REAL300019972628	1	37	-1.0	-51.59	345.90	5.72	-45.87
CC1=NOC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972629	0	29	-1.0	-51.03	284.98	3.57	-47.46
CC1=NOC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972629	1	29	-1.0	-50.99	285.05	3.56	-47.43
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CS(=O)(=O)C1	REAL300019972630	0	30	-1.0	-54.47	298.15	0.41	-54.06
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CS(=O)(=O)C1	REAL300019972630	1	30	-1.0	-54.41	298.21	0.40	-54.01
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCNC1=O	REAL300019972631	0	34	-1.0	-47.69	307.65	2.07	-45.62
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCNC1=O	REAL300019972631	1	34	-1.0	-47.66	307.71	2.06	-45.60
CN1C(=O)NC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972632	0	31	-1.0	-56.38	297.39	2.21	-54.17
CN1C(=O)NC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972632	1	31	-1.0	-56.11	297.74	2.18	-53.93
CC=C(F)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972633	0	27	-1.0	-43.42	270.99	3.88	-39.54
CC=C(F)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972633	1	27	-1.0	-43.38	271.05	3.87	-39.51
CCC=C(F)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972634	0	30	-1.0	-43.12	291.29	4.62	-38.50
CCC=C(F)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972634	1	30	-1.0	-43.11	291.36	4.61	-38.50
O=C(CC1CSC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972635	0	31	-1.0	-42.92	299.83	4.90	-38.02
O=C(CC1CSC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972635	1	31	-1.0	-42.90	299.90	4.89	-38.01
COC1=NN(C)C=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972636	0	34	-1.0	-60.39	324.59	1.53	-58.86
COC1=NN(C)C=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972636	1	34	-1.0	-60.41	324.53	1.54	-58.87
CC(C)(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=CN1	REAL300019972637	0	39	-1.0	-47.82	338.91	5.46	-42.36
CC(C)(C)C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=CN1	REAL300019972637	1	39	-1.0	-47.98	338.70	5.45	-42.53
CSC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CO1	REAL300019972638	0	31	-1.0	-52.79	315.67	4.71	-48.08
CSC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CO1	REAL300019972638	1	31	-1.0	-52.75	315.74	4.70	-48.05
CC1=NN(C(C)C)C=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972639	0	39	-1.0	-52.52	350.87	5.26	-47.26
CC1=NN(C(C)C)C=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972639	1	39	-1.0	-52.46	350.93	5.25	-47.21
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)F)N=C1	REAL300019972640	0	32	-1.0	-48.23	315.68	4.65	-43.58
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)F)N=C1	REAL300019972640	1	32	-1.0	-48.15	315.74	4.64	-43.51
O=C(CCCC1=N[N-]N=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972641	0	33	-2.0	-101.56	320.45	2.35	-99.21
O=C(CCCC1=N[N-]N=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972641	1	33	-2.0	-101.59	320.39	2.36	-99.23
O=C(CCCC1=NN=N[N-]1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972641	1	33	-2.0	-101.56	320.51	2.37	-99.19
O=C(CCCC1=NN=N[N-]1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972641	1	33	-2.0	-101.58	320.44	2.38	-99.20
C#CCN1CCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972642	0	37	-1.0	-53.29	338.69	3.91	-49.38
C#CCN1CCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972642	1	37	-1.0	-53.25	338.76	3.91	-49.34
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(C2CC2)=C1	REAL300019972643	0	37	-1.0	-50.63	336.74	7.61	-43.02
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(C2CC2)=C1	REAL300019972643	1	37	-1.0	-50.59	336.81	7.60	-42.99
CC1=NN(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(=O)N1C	REAL300019972644	0	36	-1.0	-59.37	342.06	4.49	-54.88
CC1=NN(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(=O)N1C	REAL300019972644	1	36	-1.0	-59.37	342.12	4.48	-54.89
COC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972645	0	31	-1.0	-45.63	304.30	3.94	-41.69
COC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972645	1	31	-1.0	-45.63	304.37	3.94	-41.69
O=C(CCC1CCCCCC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972646	0	45	-1.0	-39.28	365.51	7.58	-31.70
O=C(CCC1CCCCCC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972646	1	45	-1.0	-39.25	365.58	7.57	-31.68
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCS1(=O)=O	REAL300019972647	0	33	-1.0	-53.45	314.84	1.17	-52.28
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCS1(=O)=O	REAL300019972647	1	33	-1.0	-49.74	314.92	1.16	-48.58
CC(C)(C)N1CCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972648	0	41	-1.0	-46.67	320.15	2.46	-44.21
CC(C)(C)N1CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972648	1	41	-1.0	-46.65	320.21	2.45	-44.20
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972648	1	42	0.0	-58.98	349.10	5.66	-53.32
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972648	1	42	0.0	-59.50	350.17	5.65	-53.85
O=C(CC1=CC=CN=C1Cl)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972649	0	32	-1.0	-55.64	321.44	4.74	-50.90
O=C(CC1=CC=CN=C1Cl)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972649	1	32	-1.0	-55.71	321.38	4.74	-50.97
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972650	0	30	-2.0	-88.82	298.70	1.58	-87.24
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972650	1	30	-2.0	-88.88	298.63	1.59	-87.29
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972650	1	30	-2.0	-88.85	298.75	1.60	-87.25
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972650	1	30	-2.0	-88.87	298.69	1.60	-87.27
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=CN1	REAL300019972651	0	30	-1.0	-49.30	288.72	3.62	-45.68
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=CN1	REAL300019972651	1	30	-1.0	-49.29	288.79	3.61	-45.68
CCC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=CN1	REAL300019972652	0	33	-1.0	-49.43	309.80	4.37	-45.06
CCC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=CN1	REAL300019972652	1	33	-1.0	-49.55	310.15	4.34	-45.21
CC1=CN=C2C=C(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)C=CN12	REAL300019972653	0	36	-1.0	-56.85	336.24	6.59	-50.26
CC1=CN=C2C=C(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)C=CN12	REAL300019972653	1	36	-1.0	-56.87	336.18	6.60	-50.27
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(N2CCOCC2)CC1	REAL300019972654	0	40	-1.0	-38.43	345.15	2.66	-35.77
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(N2CCOCC2)CC1	REAL300019972654	1	40	-1.0	-38.35	345.22	2.66	-35.69
COC(OC)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972655	0	31	-1.0	-48.00	290.14	2.14	-45.86
COC(OC)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972655	1	31	-1.0	-47.99	290.20	2.13	-45.86
CN1C(Cl)=NC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972656	0	30	-1.0	-48.00	302.16	4.53	-43.47
CN1C(Cl)=NC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972656	1	30	-1.0	-48.09	302.10	4.54	-43.55
CN1C(=O)CSC1=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972657	0	33	-1.0	-50.47	321.05	3.97	-46.50
CN1C(=O)CSC1=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972657	1	33	-1.0	-50.41	321.11	3.96	-46.45
N#CCCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972658	0	33	-1.0	-44.52	316.28	5.27	-39.25
N#CCCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972658	1	33	-1.0	-44.52	316.34	5.26	-39.26
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(CF)CC1	REAL300019972659	0	30	-1.0	-38.23	285.59	4.68	-33.55
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(CF)CC1	REAL300019972659	1	30	-1.0	-38.23	285.65	4.67	-33.56
CC1=CC=CC2=NC=C(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)N21	REAL300019972660	0	36	-1.0	-43.14	325.84	6.39	-36.75
CC1=CC=CC2=NC=C(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)N21	REAL300019972660	1	36	-1.0	-43.15	325.79	6.40	-36.75
CC(=CC1=CC=NC=C1)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972661	0	36	-1.0	-49.11	330.06	5.54	-43.57
CC(=CC1=CC=NC=C1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972661	1	36	-1.0	-49.10	330.12	5.53	-43.57
CC(=CC1=CC=CC=N1)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972662	0	36	-1.0	-48.67	331.36	6.58	-42.09
CC(=CC1=CC=CC=N1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972662	1	36	-1.0	-48.63	331.43	6.57	-42.06
CC(=CC1=CC=CN=C1)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972663	0	36	-1.0	-50.69	330.34	5.56	-45.13
CC(=CC1=CC=CN=C1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972663	1	36	-1.0	-50.67	330.40	5.55	-45.12
CC(=CC1=CC=CO1)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972664	0	34	-1.0	-48.85	316.99	5.72	-43.13
CC(=CC1=CC=CO1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972664	1	34	-1.0	-48.81	317.06	5.71	-43.10
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=COC(CO)=C1	REAL300019972665	0	31	-1.0	-54.17	304.55	0.98	-53.19
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=COC(CO)=C1	REAL300019972665	1	31	-1.0	-54.12	304.61	0.97	-53.15
COC1=CC=CC(O)=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972666	0	35	-1.0	-51.26	331.55	1.90	-49.36
COC1=CC=CC(O)=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972666	1	35	-1.0	-51.33	331.48	1.91	-49.42
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CSC1	REAL300019972667	0	28	-1.0	-47.19	279.03	4.14	-43.05
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CSC1	REAL300019972667	1	28	-1.0	-47.13	279.10	4.13	-43.00
C[C@H]1CC[C@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972668	0	39	-1.0	-38.65	334.70	6.36	-32.29
C[C@H]1CC[C@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972668	1	39	-1.0	-38.61	334.76	6.36	-32.25
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC2=CN=CC=C2C=C1	REAL300019972669	0	35	-1.0	-50.86	328.85	5.99	-44.87
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC2=CN=CC=C2C=C1	REAL300019972669	1	35	-1.0	-50.88	328.79	5.99	-44.89
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CC[N@H+](C1)CCC2	REAL300019972670	0	40	0.0	-69.21	329.42	5.13	-64.08
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CC[N@@H+](C1)CCC2	REAL300019972670	1	40	0.0	-63.20	329.14	5.13	-58.07
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C12CC[N@H+](C1)CCC2	REAL300019972670	1	40	0.0	-69.24	329.36	5.14	-64.10
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C12CC[N@@H+](C1)CCC2	REAL300019972670	1	40	0.0	-63.31	329.08	5.14	-58.17
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C2N=CNC2=CN=C1	REAL300019972671	0	32	-1.0	-59.92	307.77	3.52	-56.40
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C2N=CNC2=CN=C1	REAL300019972671	1	32	-1.0	-59.67	308.12	3.50	-56.17
CCC(CO)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972672	0	33	-1.0	-39.88	298.02	1.61	-38.27
CCC(CO)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972672	1	33	-1.0	-39.69	298.34	1.58	-38.11
O=C(CNC1=CC=CC=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972673	0	34	-1.0	-43.17	319.84	3.60	-39.57
O=C(CNC1=CC=CC=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972673	1	34	-1.0	-43.17	319.90	3.59	-39.58
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCS(=O)(=O)N1	REAL300019972674	0	32	-1.0	-62.29	311.10	-1.18	-63.47
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCS(=O)(=O)N1	REAL300019972674	1	32	-1.0	-62.21	311.16	-1.20	-63.41
O=C(C=CC1CCCCCC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972675	0	43	-1.0	-47.66	361.31	7.52	-40.14
O=C(C=CC1CCCCCC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972675	1	43	-1.0	-47.63	361.37	7.51	-40.12
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC2=CC=CC=C2C1	REAL300019972676	0	40	-1.0	-48.10	352.30	7.86	-40.24
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2=CC=CC=C2C1	REAL300019972676	1	40	-1.0	-48.07	352.36	7.85	-40.22
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1CCC1	REAL300019972677	0	37	-1.0	-38.94	332.35	6.73	-32.21
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1CCC1	REAL300019972677	1	37	-1.0	-38.91	332.41	6.72	-32.19
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	REAL300019972678	0	38	-1.0	-39.98	325.38	6.53	-33.45
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	REAL300019972678	1	38	-1.0	-50.74	325.77	6.51	-44.23
CC(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)N1C=CN=C1	REAL300019972679	0	36	-1.0	-41.55	329.72	6.14	-35.41
CC(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)N1C=CN=C1	REAL300019972679	1	36	-1.0	-41.55	329.78	6.13	-35.42
CCN1C=CC(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972680	0	36	-1.0	-58.07	336.01	4.81	-53.26
CCN1C=CC(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972680	1	36	-1.0	-58.00	336.07	4.80	-53.20
CSC1=CC=CN=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972681	0	33	-1.0	-50.61	319.96	4.75	-45.86
CSC1=CC=CN=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972681	1	33	-1.0	-50.65	319.90	4.76	-45.89
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@]12C[C@H]1COC2	REAL300019972682	0	32	-1.0	-50.82	298.98	3.20	-47.62
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@]12C[C@H]1COC2	REAL300019972682	1	32	-1.0	-50.82	299.04	3.19	-47.63
CSC1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972683	0	33	-1.0	-45.94	328.31	4.95	-40.99
CSC1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972683	1	33	-1.0	-45.99	328.25	4.96	-41.03
CCC1=NOC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972684	0	32	-1.0	-50.66	306.75	4.30	-46.36
CCC1=NOC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972684	1	32	-1.0	-50.63	306.81	4.29	-46.34
CC(=O)NCC(C)(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972685	0	39	-1.0	-47.79	346.28	3.01	-44.78
CC(=O)NCC(C)(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972685	1	39	-1.0	-47.82	346.35	3.00	-44.82
CCC(C#N)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972686	0	30	-1.0	-40.55	292.15	4.14	-36.41
CCC(C#N)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972686	1	30	-1.0	-40.53	292.21	4.14	-36.39
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC1C1CCCC1	REAL300019972687	0	40	-1.0	-49.32	340.37	6.98	-42.34
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC1C1CCCC1	REAL300019972687	1	40	-1.0	-49.33	340.44	6.97	-42.36
COC(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(F)(F)F	REAL300019972688	0	33	-1.0	-39.47	320.43	4.01	-35.46
COC(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(F)(F)F	REAL300019972688	1	33	-1.0	-39.48	320.49	4.01	-35.47
CSCC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972689	0	37	-1.0	-39.19	346.09	6.39	-32.80
CSCC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972689	1	37	-1.0	-39.14	346.15	6.38	-32.76
CCCC(C)(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972690	0	38	-1.0	-38.87	326.34	5.70	-33.17
CCCC(C)(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972690	1	38	-1.0	-38.88	326.40	5.69	-33.19
NC(=O)C1=NN(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019972691	0	33	-1.0	-69.29	325.12	1.02	-68.27
NC(=O)C1=NN(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019972691	1	33	-1.0	-56.85	325.30	1.02	-55.83
CC(C)(C)N1N=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972692	0	37	-1.0	-47.71	345.09	3.27	-44.44
CC(C)(C)N1N=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972692	1	37	-1.0	-47.71	345.03	3.28	-44.43
COC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CC=C1C#N	REAL300019972693	0	35	-1.0	-50.87	337.46	5.23	-45.64
COC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CC=C1C#N	REAL300019972693	1	35	-1.0	-50.87	337.52	5.22	-45.65
CC1=CC2=C(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)N=CN2C=C1	REAL300019972694	0	36	-1.0	-55.34	337.58	7.45	-47.89
CC1=CC2=C(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)N=CN2C=C1	REAL300019972694	1	36	-1.0	-55.32	337.52	7.46	-47.86
N#CC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL300019972695	0	40	-1.0	-62.74	344.86	6.18	-56.56
N#CC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL300019972695	1	40	-1.0	-62.69	344.92	6.16	-56.53
CC(C)(CC(F)(F)F)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972696	0	35	-1.0	-37.35	318.46	5.29	-32.06
CC(C)(CC(F)(F)F)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972696	1	35	-1.0	-37.29	318.52	5.28	-32.01
CN1N=CC(C2CC2)=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972697	0	37	-1.0	-49.41	335.13	5.55	-43.86
CN1N=CC(C2CC2)=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972697	1	37	-1.0	-49.48	335.06	5.56	-43.92
CC1(C)OCC2CC21C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972698	0	38	-1.0	-37.81	332.47	4.48	-33.33
CC1(C)OCC2CC21C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972698	1	38	-1.0	-37.74	332.53	4.47	-33.27
CC(=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(C)(C)C	REAL300019972699	0	39	-1.0	-46.73	336.61	6.17	-40.56
CC(=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(C)(C)C	REAL300019972699	1	39	-1.0	-46.69	336.68	6.15	-40.54
COC1=NOC(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972700	0	36	-1.0	-49.79	341.52	2.58	-47.21
COC1=NOC(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972700	1	36	-1.0	-49.79	341.58	2.57	-47.22
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C2C=CNC2=NC=N1	REAL300019972701	0	32	-1.0	-48.67	309.14	4.66	-44.01
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C2C=CNC2=NC=N1	REAL300019972701	1	32	-1.0	-48.59	309.48	4.64	-43.95
CN1C=C(C=CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019972702	0	33	-1.0	-51.80	322.78	3.27	-48.53
CN1C=C(C=CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019972702	1	33	-1.0	-51.82	322.85	3.26	-48.56
C=C(C)CC(NC(C)=O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972703	0	40	-1.0	-47.39	355.57	4.72	-42.67
C=C(C)CC(NC(C)=O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972703	1	40	-1.0	-45.84	355.92	4.71	-41.13
CNC1=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CS1	REAL300019972704	0	31	-1.0	-47.09	312.51	2.59	-44.50
CNC1=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CS1	REAL300019972704	1	31	-1.0	-47.13	312.45	2.60	-44.53
O=C(CN1C=C(C2CC2)C=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972705	0	37	-1.0	-59.21	344.02	5.75	-53.46
O=C(CN1C=C(C2CC2)C=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972705	1	37	-1.0	-59.22	343.96	5.75	-53.47
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC2(CC2(F)F)C1	REAL300019972706	0	34	-1.0	-51.81	325.11	6.06	-45.75
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC2(CC2(F)F)C1	REAL300019972706	1	34	-1.0	-51.75	325.18	6.05	-45.70
CC1=CC(F)=CC(C)=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972707	0	36	-1.0	-46.13	336.94	6.51	-39.62
CC1=CC(F)=CC(C)=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972707	1	36	-1.0	-46.11	337.00	6.51	-39.60
CSC(C)(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972708	0	33	-1.0	-41.08	307.83	4.78	-36.30
CSC(C)(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972708	1	33	-1.0	-41.06	307.90	4.77	-36.29
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(N2C=NN=N2)CC1	REAL300019972709	0	32	-1.0	-41.49	309.23	3.79	-37.70
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(N2C=NN=N2)CC1	REAL300019972709	1	32	-1.0	-41.49	309.17	3.80	-37.69
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(CO)C1=CC=CC=C1	REAL300019972710	0	37	-1.0	-48.91	336.71	3.86	-45.05
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(CO)C1=CC=CC=C1	REAL300019972710	1	37	-1.0	-48.88	336.78	3.85	-45.03
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCN1C1CCCC1	REAL300019972711	0	42	-1.0	-38.22	351.65	3.54	-34.68
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC[N@@H+]1C1CCCC1	REAL300019972711	1	43	0.0	-66.07	353.73	6.44	-59.63
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC[N@H+]1C1CCCC1	REAL300019972711	1	43	0.0	-67.90	358.42	6.70	-61.20
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCN1C1CCCC1	REAL300019972711	1	42	-1.0	-38.25	351.71	3.54	-34.71
CC(C)(O)C(O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972712	0	34	-1.0	-41.68	306.52	-0.30	-41.98
CC(C)(O)C(O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972712	1	34	-1.0	-41.22	306.90	-0.32	-41.54
CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC(=O)C1	REAL300019972713	0	32	-1.0	-44.46	299.72	4.12	-40.34
CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC(=O)C1	REAL300019972713	1	32	-1.0	-44.41	299.78	4.11	-40.30
CCC(O)C(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972714	0	36	-1.0	-42.32	319.81	3.01	-39.31
CCC(O)C(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972714	1	36	-1.0	-42.36	319.87	3.00	-39.36
CCC1=CNC(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972715	0	36	-1.0	-60.47	334.40	4.25	-56.22
CCC1=CNC(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972715	1	36	-1.0	-60.49	334.46	4.25	-56.24
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC2CC2C1	REAL300019972716	0	34	-1.0	-38.71	304.85	5.75	-32.96
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC2CC2C1	REAL300019972716	1	34	-1.0	-38.70	304.92	5.74	-32.96
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NN2C=CC=NC2=N1	REAL300019972717	0	31	-1.0	-57.37	308.52	5.67	-51.70
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NN2C=CC=NC2=N1	REAL300019972717	1	31	-1.0	-57.42	308.46	5.67	-51.75
CC(=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CO1	REAL300019972718	0	34	-1.0	-47.52	321.71	5.60	-41.92
CC(=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CO1	REAL300019972718	1	34	-1.0	-47.48	321.78	5.59	-41.89
CC1=NNC2=CC=C(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)C=C12	REAL300019972719	0	36	-1.0	-50.89	336.31	4.80	-46.09
CC1=NNC2=CC=C(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)C=C12	REAL300019972719	1	36	-1.0	-50.85	336.37	4.80	-46.05
CC=CC(O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972720	0	31	-1.0	-39.41	295.49	2.55	-36.86
CC=CC(O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972720	1	31	-1.0	-39.36	295.55	2.54	-36.82
CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCNC1=O	REAL300019972721	0	34	-1.0	-45.04	311.45	1.30	-43.74
CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCNC1=O	REAL300019972721	1	34	-1.0	-44.97	311.51	1.28	-43.69
CC1=CC=NC=C1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972722	0	35	-1.0	-53.03	324.49	4.89	-48.14
CC1=CC=NC=C1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972722	1	35	-1.0	-53.01	324.56	4.88	-48.13
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=NN1C(F)F	REAL300019972723	0	30	-1.0	-40.73	299.64	3.42	-37.31
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=NN1C(F)F	REAL300019972723	1	30	-1.0	-40.74	299.58	3.43	-37.31
CC(C)C1=CC=CC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972724	0	39	-1.0	-48.27	341.95	7.19	-41.08
CC(C)C1=CC=CC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972724	1	39	-1.0	-48.25	342.01	7.19	-41.06
CC1=NN(C(C)CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019972725	0	39	-1.0	-48.50	351.34	5.20	-43.30
CC1=NN(C(C)CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019972725	1	39	-1.0	-48.51	351.40	5.20	-43.31
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCC2CC21	REAL300019972726	0	37	-1.0	-39.21	320.52	6.32	-32.89
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC2CC21	REAL300019972726	1	37	-1.0	-39.14	320.58	6.31	-32.83
O=C(CCCC1=CC=CN=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972727	0	38	-1.0	-53.84	350.25	5.98	-47.86
O=C(CCCC1=CC=CN=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972727	1	38	-1.0	-44.11	349.89	6.00	-38.11
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(CF)C=C1	REAL300019972728	0	33	-1.0	-50.03	315.80	6.32	-43.71
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C(CF)C=C1	REAL300019972728	1	33	-1.0	-50.01	315.87	6.32	-43.69
COC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCOC1	REAL300019972729	0	38	-1.0	-55.61	330.94	3.20	-52.41
COC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCOC1	REAL300019972729	1	38	-1.0	-55.49	331.00	3.20	-52.29
O=C(CCC1CC1(F)F)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972730	0	33	-1.0	-49.95	317.59	5.68	-44.27
O=C(CCC1CC1(F)F)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972730	1	33	-1.0	-49.91	317.65	5.67	-44.24
COCCCOCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972731	0	40	-1.0	-40.42	363.13	3.11	-37.31
COCCCOCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972731	1	40	-1.0	-40.35	363.19	3.11	-37.24
COCC1=CN=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972732	0	36	-1.0	-49.64	337.71	3.44	-46.20
COCC1=CN=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972732	1	36	-1.0	-49.70	337.64	3.44	-46.26
CC1=C(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)OC=C1	REAL300019972733	0	33	-1.0	-53.03	313.74	4.96	-48.07
CC1=C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)OC=C1	REAL300019972733	1	33	-1.0	-52.93	313.81	4.96	-47.97
CC(C)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)N1C=CC=N1	REAL300019972734	0	36	-1.0	-59.34	327.19	4.83	-54.51
CC(C)(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)N1C=CC=N1	REAL300019972734	1	36	-1.0	-59.36	327.13	4.85	-54.51
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=C2CCCN12	REAL300019972735	0	34	-1.0	-53.22	313.78	5.04	-48.18
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=C2CCCN12	REAL300019972735	1	34	-1.0	-53.18	313.84	5.03	-48.15
CCCCC(C)(F)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972736	0	38	-1.0	-37.89	339.00	6.00	-31.89
CCCCC(C)(F)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972736	1	38	-1.0	-37.82	339.06	5.99	-31.83
CC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(N)=N1	REAL300019972737	0	33	-1.0	-46.07	309.63	2.62	-43.45
CC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(N)=N1	REAL300019972737	1	33	-1.0	-46.16	309.42	2.62	-43.54
C[NH+](C)CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972738	0	39	0.0	-62.91	338.89	5.75	-57.16
C[NH+](C)CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972738	1	39	0.0	-62.88	338.97	5.74	-57.14
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C2CCCCN2C=C1	REAL300019972739	0	38	-1.0	-51.46	336.51	6.76	-44.70
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C2CCCCN2C=C1	REAL300019972739	1	38	-1.0	-51.47	336.58	6.75	-44.72
CCNC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019972740	0	34	-1.0	-48.86	333.74	3.52	-45.34
CCNC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019972740	1	34	-1.0	-48.93	333.68	3.54	-45.39
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2CC2)C=C1	REAL300019972741	0	37	-1.0	-48.99	337.01	7.61	-41.38
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2CC2)C=C1	REAL300019972741	1	37	-1.0	-48.96	337.08	7.59	-41.37
COC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCC1	REAL300019972742	0	40	-1.0	-40.73	347.90	5.94	-34.79
COC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC1	REAL300019972742	1	40	-1.0	-40.73	347.96	5.93	-34.80
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972743	0	40	-1.0	-49.52	357.88	8.07	-41.45
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972743	1	40	-1.0	-49.48	357.95	8.06	-41.42
COC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCCC1	REAL300019972744	0	43	-1.0	-50.93	365.58	6.47	-44.46
COC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCCC1	REAL300019972744	1	43	-1.0	-50.87	365.65	6.47	-44.40
CC(CC1=CC=CO1)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972745	0	36	-1.0	-48.73	330.42	5.61	-43.12
CC(CC1=CC=CO1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972745	1	36	-1.0	-48.66	330.48	5.60	-43.06
CC1(C)CCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972746	0	36	-1.0	-48.30	316.07	5.43	-42.87
CC1(C)CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972746	1	36	-1.0	-48.27	316.14	5.42	-42.85
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC2(C1)CCCCC2	REAL300019972747	0	43	-1.0	-48.34	358.83	7.40	-40.94
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC2(C1)CCCCC2	REAL300019972747	1	43	-1.0	-48.27	358.90	7.39	-40.88
COCC1=CSC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972748	0	34	-1.0	-49.83	334.97	4.25	-45.58
COCC1=CSC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972748	1	34	-1.0	-49.82	335.04	4.24	-45.58
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972749	0	37	-1.0	-53.89	322.38	5.44	-48.45
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972749	1	37	-1.0	-53.88	322.44	5.43	-48.45
CC(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCO1	REAL300019972750	0	40	-1.0	-46.87	342.44	4.84	-42.03
CC(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCO1	REAL300019972750	1	40	-1.0	-46.84	342.51	4.83	-42.01
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NOC2=C1COCC2	REAL300019972751	0	34	-1.0	-46.54	319.32	3.13	-43.41
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NOC2=C1COCC2	REAL300019972751	1	34	-1.0	-46.50	319.39	3.12	-43.38
CC1=CN2C=CC(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)=CC2=N1	REAL300019972752	0	36	-1.0	-57.72	336.37	6.66	-51.06
CC1=CN2C=CC(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)=CC2=N1	REAL300019972752	1	36	-1.0	-57.73	336.43	6.65	-51.08
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN(C2CC2)N=N1	REAL300019972753	0	33	-1.0	-45.85	318.50	3.36	-42.49
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN(C2CC2)N=N1	REAL300019972753	1	33	-1.0	-45.89	318.44	3.37	-42.52
CNC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300019972754	0	35	-1.0	-47.57	328.09	4.41	-43.16
CNC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300019972754	1	35	-1.0	-47.73	327.87	4.41	-43.32
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC2C(C1)C2(F)F	REAL300019972755	0	37	-1.0	-47.25	330.53	6.47	-40.78
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2C(C1)C2(F)F	REAL300019972755	1	37	-1.0	-47.24	330.59	6.46	-40.78
CC(F)(F)C1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972756	0	33	-1.0	-37.14	312.80	5.40	-31.74
CC(F)(F)C1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972756	1	33	-1.0	-37.14	312.87	5.39	-31.75
O=C(COCC(F)F)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972757	0	30	-1.0	-48.16	300.02	3.76	-44.40
O=C(COCC(F)F)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972757	1	30	-1.0	-48.08	300.08	3.75	-44.33
CCCC=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972758	0	33	-1.0	-48.17	308.59	5.35	-42.82
CCCC=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972758	1	33	-1.0	-48.17	308.65	5.34	-42.83
CC1=CCC(C)(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972759	0	40	-1.0	-39.29	341.80	6.63	-32.66
CC1=CCC(C)(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972759	1	40	-1.0	-39.29	341.86	6.63	-32.66
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972760	0	40	-1.0	-38.30	353.52	5.05	-33.25
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972760	1	40	-1.0	-46.20	353.89	5.03	-41.17
CC1(C)CCCC(O)(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972761	0	43	-1.0	-48.66	352.64	4.17	-44.49
CC1(C)CCCC(O)(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972761	1	43	-1.0	-48.67	352.70	4.17	-44.50
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC=CC=C1F	REAL300019972762	0	29	-1.0	-52.77	289.37	3.88	-48.89
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC=CC=C1F	REAL300019972762	1	29	-1.0	-52.83	289.31	3.89	-48.94
COCC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL300019972763	0	43	-1.0	-47.47	355.38	5.78	-41.69
COCC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL300019972763	1	43	-1.0	-47.40	355.45	5.78	-41.62
CC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972764	0	29	-1.0	-46.83	288.55	0.98	-45.85
CC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972764	1	29	-1.0	-46.77	288.61	0.97	-45.80
CC1=COC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972765	0	30	-1.0	-52.04	289.79	4.19	-47.85
CC1=COC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972765	1	30	-1.0	-52.01	289.86	4.18	-47.83
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)OC(C(F)F)=C1	REAL300019972766	0	33	-1.0	-46.22	324.27	5.30	-40.92
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)OC(C(F)F)=C1	REAL300019972766	1	33	-1.0	-46.16	324.34	5.29	-40.87
CC(C)C1=NC=CN1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972767	0	39	-1.0	-56.62	355.04	6.08	-50.54
CC(C)C1=NC=CN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972767	1	39	-1.0	-56.59	355.10	6.07	-50.52
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972767	1	40	0.0	-60.91	353.73	6.65	-54.26
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CN(C2CCOC2)C1	REAL300019972768	0	40	-1.0	-47.77	350.43	1.32	-46.45
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1C[NH+](C2CCOC2)C1	REAL300019972768	1	41	0.0	-72.71	354.69	4.29	-68.42
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CN(C2CCOC2)C1	REAL300019972768	1	40	-1.0	-47.73	350.49	1.31	-46.42
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CCC[NH+](CCC1)C2	REAL300019972769	0	43	0.0	-67.07	345.24	6.11	-60.96
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C12CCC[NH+](CCC1)C2	REAL300019972769	1	43	0.0	-67.09	345.17	6.12	-60.97
COCC(OC)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972770	0	34	-1.0	-40.28	318.29	2.47	-37.81
COCC(OC)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972770	1	34	-1.0	-40.43	318.60	2.48	-37.95
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=C2COCCN12	REAL300019972771	0	35	-1.0	-51.46	319.72	3.31	-48.15
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=C2COCCN12	REAL300019972771	1	35	-1.0	-51.40	319.78	3.31	-48.09
N#CC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCOCC1	REAL300019972772	0	38	-1.0	-46.70	336.42	3.84	-42.86
N#CC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCOCC1	REAL300019972772	1	38	-1.0	-46.68	336.48	3.84	-42.84
CN1CCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972773	0	35	-1.0	-47.12	305.44	2.00	-45.12
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972773	1	36	0.0	-59.44	314.15	4.96	-54.48
C[N@H+]1CCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972773	1	36	0.0	-62.94	308.10	4.48	-58.46
CN1CCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972773	1	35	-1.0	-47.12	305.51	2.00	-45.12
CN1CCC[C@@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972774	0	35	-1.0	-50.80	313.25	2.66	-48.14
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972774	1	36	0.0	-62.38	307.84	4.49	-57.89
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972774	1	36	0.0	-59.71	313.13	4.98	-54.73
CN1CCC[C@@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972774	1	35	-1.0	-50.76	313.32	2.66	-48.10
C[C@H](C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)N(C)C	REAL300019972775	0	34	-1.0	-39.22	297.56	1.88	-37.34
C[C@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019972775	1	35	0.0	-64.97	306.17	4.34	-60.63
C[C@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)N(C)C	REAL300019972775	1	34	-1.0	-39.21	297.63	1.89	-37.32
CCC(C)(C)C(O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972776	0	39	-1.0	-38.42	327.33	3.87	-34.55
CCC(C)(C)C(O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972776	1	39	-1.0	-38.47	327.39	3.86	-34.61
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=C(C2CC2)O1	REAL300019972777	0	33	-1.0	-51.66	318.77	2.88	-48.78
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=C(C2CC2)O1	REAL300019972777	1	33	-1.0	-51.61	318.84	2.87	-48.74
CC1=NN(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(=O)O1	REAL300019972778	0	32	-1.0	-56.66	316.74	1.03	-55.63
CC1=NN(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(=O)O1	REAL300019972778	1	32	-1.0	-56.67	316.81	1.03	-55.64
CC(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CO1	REAL300019972779	0	36	-1.0	-47.78	331.01	5.69	-42.09
CC(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CO1	REAL300019972779	1	36	-1.0	-47.77	331.07	5.68	-42.09
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1C2CCCCCCC21	REAL300019972780	0	43	-1.0	-48.13	357.25	7.63	-40.50
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1C2CCCCCCC21	REAL300019972780	1	43	-1.0	-48.07	357.32	7.62	-40.45
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC2=NN=NN2C=C1	REAL300019972781	0	31	-1.0	-56.01	304.36	3.64	-52.37
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC2=NN=NN2C=C1	REAL300019972781	1	31	-1.0	-55.73	304.58	3.62	-52.11
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC(C2CC2)CC1	REAL300019972782	0	43	-1.0	-38.74	364.23	7.82	-30.92
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC(C2CC2)CC1	REAL300019972782	1	43	-1.0	-48.51	364.64	7.80	-40.71
CN1CCC(C)(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1=O	REAL300019972783	0	37	-1.0	-42.81	333.80	3.58	-39.23
CN1CCC(C)(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1=O	REAL300019972783	1	37	-1.0	-42.78	333.86	3.57	-39.21
CN1CC(O)CC1(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972784	0	39	-1.0	-38.11	330.32	0.18	-37.93
CN1CC(O)CC1(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972784	1	39	-1.0	-38.09	330.39	0.18	-37.91
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2CCCC[N@@H+]21	REAL300019972785	0	43	0.0	-57.80	349.71	6.41	-51.39
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2CCCC[N@H+]21	REAL300019972785	1	43	0.0	-61.05	355.66	6.86	-54.19
CC(C)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC=CS1	REAL300019972786	0	35	-1.0	-52.91	332.82	4.49	-48.42
CC(C)(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC=CS1	REAL300019972786	1	35	-1.0	-52.95	332.76	4.50	-48.45
CCCC(OCC)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972787	0	39	-1.0	-40.34	349.50	5.78	-34.56
CCCC(OCC)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972787	1	39	-1.0	-40.33	349.56	5.77	-34.56
COC1CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972788	0	34	-1.0	-39.07	312.28	3.48	-35.59
COC1CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972788	1	34	-1.0	-39.01	312.34	3.48	-35.53
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1C2CC3=CC=CC=C3C21	REAL300019972789	0	38	-1.0	-50.64	338.97	7.95	-42.69
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1C2CC3=CC=CC=C3C21	REAL300019972789	1	38	-1.0	-50.59	339.04	7.95	-42.64
CCOC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC1	REAL300019972790	0	37	-1.0	-41.55	333.90	5.69	-35.86
CCOC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL300019972790	1	37	-1.0	-41.50	333.96	5.68	-35.82
CSC1=CC(C)=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972791	0	34	-1.0	-45.39	332.86	5.39	-40.00
CSC1=CC(C)=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972791	1	34	-1.0	-45.42	332.93	5.39	-40.03
O=C(C=CC1=CC=CS1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972792	0	31	-1.0	-48.09	312.32	5.81	-42.28
O=C(C=CC1=CC=CS1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972792	1	31	-1.0	-48.06	312.38	5.81	-42.25
CC(CF)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972793	0	29	-1.0	-38.05	277.74	3.98	-34.07
CC(CF)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972793	1	29	-1.0	-38.03	277.80	3.98	-34.05
CC(C)C1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972794	0	39	-1.0	-50.10	348.00	7.41	-42.69
CC(C)C1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972794	1	39	-1.0	-50.04	348.07	7.41	-42.63
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN(C2CC2)N=C1	REAL300019972795	0	34	-1.0	-49.34	322.28	4.80	-44.54
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN(C2CC2)N=C1	REAL300019972795	1	34	-1.0	-49.39	322.22	4.80	-44.59
CC(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=NC=C1	REAL300019972796	0	38	-1.0	-49.25	342.61	5.68	-43.57
CC(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=NC=C1	REAL300019972796	1	38	-1.0	-49.19	342.68	5.67	-43.52
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1COC(=O)N1	REAL300019972797	0	29	-1.0	-59.27	284.88	-0.22	-59.49
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1COC(=O)N1	REAL300019972797	1	29	-1.0	-59.22	284.94	-0.22	-59.44
O=C(CC1=CSC=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972798	0	29	-1.0	-54.67	295.95	3.35	-51.32
O=C(CC1=CSC=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972798	1	29	-1.0	-54.61	296.01	3.35	-51.26
CCOC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCOCC1	REAL300019972799	0	41	-1.0	-37.29	347.97	2.93	-34.36
CCOC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCOCC1	REAL300019972799	1	41	-1.0	-37.27	348.02	2.93	-34.34
O=C(CN1C=CC(C(F)F)=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972800	0	33	-1.0	-59.68	327.71	4.45	-55.23
O=C(CN1C=CC(C(F)F)=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972800	1	33	-1.0	-59.64	327.78	4.44	-55.20
CC1=CN2C=CN=C2C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972801	0	36	-1.0	-51.37	334.86	7.29	-44.08
CC1=CN2C=CN=C2C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972801	1	36	-1.0	-51.41	334.51	7.30	-44.11
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCCC2(CC2)C1	REAL300019972802	0	40	-1.0	-38.47	344.55	7.05	-31.42
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC2(CC2)C1	REAL300019972802	1	40	-1.0	-38.44	344.61	7.04	-31.40
CCCN1N=CC=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972803	0	36	-1.0	-37.86	326.69	5.23	-32.63
CCCN1N=CC=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972803	1	36	-1.0	-37.93	326.64	5.24	-32.69
CC1=CN=CN1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972804	0	33	-1.0	-45.99	313.02	5.73	-40.26
CC1=CN=CN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972804	1	33	-1.0	-56.49	313.38	5.71	-50.78
CC1=C[NH+]=CN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972804	1	34	0.0	-63.42	317.84	6.27	-57.15
COC1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300019972805	0	37	-1.0	-51.06	331.84	5.58	-45.48
COC1=CC=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300019972805	1	37	-1.0	-51.01	331.90	5.57	-45.44
CCC1=CNC(=O)C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972806	0	36	-1.0	-49.91	332.78	4.14	-45.77
CCC1=CNC(=O)C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972806	1	36	-1.0	-49.91	332.85	4.13	-45.78
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(O)CC1=CC=CC=C1	REAL300019972807	0	37	-1.0	-40.33	343.27	4.82	-35.51
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(O)CC1=CC=CC=C1	REAL300019972807	1	37	-1.0	-40.28	343.33	4.80	-35.48
CN1N=CC(Cl)=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972808	0	30	-1.0	-39.53	304.51	3.90	-35.63
CN1N=CC(Cl)=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972808	1	30	-1.0	-39.53	304.41	3.91	-35.62
CC1=CC(F)=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300019972809	0	33	-1.0	-51.48	325.20	6.16	-45.32
CC1=CC(F)=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300019972809	1	33	-1.0	-51.46	325.27	6.15	-45.31
CC1=CC(C)=CC(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972810	0	39	-1.0	-50.54	355.26	7.51	-43.03
CC1=CC(C)=CC(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972810	1	39	-1.0	-50.50	355.32	7.50	-43.00
CCOC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300019972811	0	37	-1.0	-37.45	329.40	4.25	-33.20
CCOC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300019972811	1	37	-1.0	-37.44	329.50	4.26	-33.18
CCC(F)(F)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972812	0	29	-1.0	-35.57	284.00	4.13	-31.44
CCC(F)(F)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972812	1	29	-1.0	-35.52	284.06	4.12	-31.40
CCN1N=CC(Cl)=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972813	0	33	-1.0	-38.40	318.96	5.12	-33.28
CCN1N=CC(Cl)=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972813	1	33	-1.0	-38.43	318.89	5.12	-33.31
COC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC1	REAL300019972814	0	37	-1.0	-51.22	330.60	5.43	-45.79
COC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL300019972814	1	37	-1.0	-51.21	330.66	5.42	-45.79
CCCCC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(C)C	REAL300019972815	0	44	-1.0	-38.78	364.35	7.45	-31.33
CCCCC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(C)C	REAL300019972815	1	44	-1.0	-38.73	364.41	7.44	-31.29
CCN1C=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972816	0	33	-1.0	-49.64	315.03	5.65	-43.99
CCN1C=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972816	1	33	-1.0	-49.63	314.97	5.65	-43.98
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019972817	0	32	-1.0	-49.02	298.82	3.30	-45.72
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@H]1[C@@H]2COC[C@@H]21	REAL300019972817	1	32	-1.0	-48.97	298.88	3.29	-45.68
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL300019972818	0	34	-1.0	-39.06	306.59	5.83	-33.23
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@H]1C[C@H]2C[C@H]2C1	REAL300019972818	1	34	-1.0	-38.99	306.65	5.82	-33.17
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCC2(CC2)CC1	REAL300019972819	0	40	-1.0	-47.95	344.74	7.05	-40.90
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2(CC2)CC1	REAL300019972819	1	40	-1.0	-47.90	344.81	7.03	-40.87
CN1C=C(Cl)C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019972820	0	30	-1.0	-51.40	308.62	3.83	-47.57
CN1C=C(Cl)C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019972820	1	30	-1.0	-51.45	308.55	3.84	-47.61
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)SC=C1	REAL300019972821	0	27	-1.0	-50.80	292.84	5.04	-45.76
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)SC=C1	REAL300019972821	1	27	-1.0	-50.93	292.63	5.04	-45.89
CC(=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CS1	REAL300019972822	0	34	-1.0	-46.12	330.57	6.59	-39.53
CC(=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CS1	REAL300019972822	1	34	-1.0	-46.09	330.63	6.58	-39.51
CC1=NC=CN=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972823	0	31	-1.0	-46.97	296.06	2.57	-44.40
CC1=NC=CN=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972823	1	31	-1.0	-46.92	296.13	2.57	-44.35
C=C1CC(C)(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972824	0	34	-1.0	-47.66	310.61	5.53	-42.13
C=C1CC(C)(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972824	1	34	-1.0	-47.65	310.67	5.52	-42.13
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC2(CC2)C1	REAL300019972825	0	34	-1.0	-48.30	311.26	5.89	-42.41
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC2(CC2)C1	REAL300019972825	1	34	-1.0	-48.25	311.32	5.88	-42.37
CN1C=C(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300019972826	0	35	-1.0	-53.09	330.36	3.48	-49.61
CN1C=C(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300019972826	1	35	-1.0	-52.97	330.42	3.47	-49.50
CCOCCOCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972827	0	43	-1.0	-44.57	384.94	4.24	-40.33
CCOCCOCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972827	1	43	-1.0	-44.56	385.00	4.23	-40.33
CSC1=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C(C)O1	REAL300019972828	0	34	-1.0	-45.83	333.63	5.52	-40.31
CSC1=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C(C)O1	REAL300019972828	1	34	-1.0	-45.78	333.69	5.51	-40.27
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=NO1	REAL300019972829	0	26	-1.0	-42.08	283.68	3.35	-38.73
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=NO1	REAL300019972829	1	26	-1.0	-42.09	283.62	3.36	-38.73
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@H]1COC(=O)N1	REAL300019972830	0	29	-1.0	-48.44	284.87	-0.22	-48.66
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@H]1COC(=O)N1	REAL300019972830	1	29	-1.0	-48.38	284.94	-0.23	-48.61
CN1C(=O)NCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972831	0	33	-1.0	-47.88	309.54	0.99	-46.89
CN1C(=O)NCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972831	1	33	-1.0	-47.81	309.60	1.00	-46.81
C[C@@H](C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)N(C)C	REAL300019972832	0	34	-1.0	-49.15	298.18	1.94	-47.21
C[C@@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019972832	1	35	0.0	-60.88	305.86	4.33	-56.55
C[C@@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)N(C)C	REAL300019972832	1	34	-1.0	-49.09	298.24	1.95	-47.14
CCC(C)(C)C(=O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972833	0	37	-1.0	-41.03	323.96	4.74	-36.29
CCC(C)(C)C(=O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972833	1	37	-1.0	-41.00	324.03	4.73	-36.27
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@H]1C[C@@H](O)C1	REAL300019972834	0	31	-1.0	-53.14	290.30	1.09	-52.05
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@H]1C[C@@H](O)C1	REAL300019972834	1	31	-1.0	-53.10	290.36	1.08	-52.02
O=C(CC1=CC(C2CC2)=NO1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972835	0	36	-1.0	-57.09	339.52	5.86	-51.23
O=C(CC1=CC(C2CC2)=NO1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972835	1	36	-1.0	-57.05	339.58	5.86	-51.19
CC1=NOC(C2(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)CC2)=C1	REAL300019972836	0	36	-1.0	-39.45	341.10	5.65	-33.80
CC1=NOC(C2(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)CC2)=C1	REAL300019972836	1	36	-1.0	-39.41	341.15	5.64	-33.77
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC2CCC[N@@H+]21	REAL300019972837	0	43	0.0	-60.03	344.38	6.46	-53.57
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC2CCC[N@H+]21	REAL300019972837	1	43	0.0	-58.75	344.41	6.45	-52.30
CC=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972838	0	27	-1.0	-48.48	266.01	3.81	-44.67
CC=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972838	1	27	-1.0	-48.41	266.07	3.81	-44.60
CC1CN(C)CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972839	0	39	-1.0	-51.39	344.02	2.62	-48.77
CC1CN(C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972839	1	39	-1.0	-51.30	344.09	2.61	-48.69
CC1C[N@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972839	1	40	0.0	-71.60	346.04	5.02	-66.58
CC1C[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972839	1	40	0.0	-72.04	338.82	4.59	-67.45
CN1C=NC2=CN=CC(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)=C21	REAL300019972840	0	35	-1.0	-47.72	325.41	4.89	-42.83
CN1C=NC2=CN=CC(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)=C21	REAL300019972840	1	35	-1.0	-47.71	325.35	4.90	-42.81
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972841	0	42	0.0	-71.58	351.31	6.28	-65.30
C[N@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972841	1	42	0.0	-62.85	349.98	5.94	-56.91
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972841	1	42	0.0	-71.51	351.37	6.27	-65.24
C[N@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972841	1	42	0.0	-62.83	350.05	5.95	-56.88
CCC=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972842	0	30	-1.0	-48.31	287.09	4.57	-43.74
CCC=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972842	1	30	-1.0	-48.29	287.16	4.57	-43.72
O=C(C=CCN1C=NC=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972843	0	33	-1.0	-56.05	322.80	6.23	-49.82
O=C(C=CCN1C=NC=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972843	1	33	-1.0	-56.09	322.74	6.24	-49.85
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019972844	0	34	-1.0	-58.34	321.65	5.14	-53.20
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CNC=N1	REAL300019972844	1	34	-1.0	-58.36	321.72	5.13	-53.23
CC1=CC=NN1CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972845	0	33	-1.0	-44.14	314.13	4.10	-40.04
CC1=CC=NN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972845	1	33	-1.0	-53.60	314.50	4.09	-49.51
NC(=O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972846	0	24	-1.0	-42.44	247.77	-1.47	-43.91
NC(=O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972846	1	24	-1.0	-42.39	247.84	-1.47	-43.86
CC(Cl)=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972847	0	27	-1.0	-50.39	278.32	4.34	-46.05
CC(Cl)=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972847	1	27	-1.0	-50.34	278.39	4.33	-46.01
O=C(C=CC=C(Cl)Cl)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972848	0	28	-1.0	-49.32	309.16	5.46	-43.86
O=C(C=CC=C(Cl)Cl)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972848	1	28	-1.0	-49.29	309.22	5.45	-43.84
CC1=C(CO)C=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972849	0	34	-1.0	-51.85	325.29	1.72	-50.13
CC1=C(CO)C=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972849	1	34	-1.0	-51.63	325.64	1.70	-49.93
CN1CCCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1=O	REAL300019972850	0	40	-1.0	-37.02	333.82	4.83	-32.19
CN1CCCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1=O	REAL300019972850	1	40	-1.0	-36.96	333.89	4.82	-32.14
C[N@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)CC(C)(C)C	REAL300019972851	0	44	0.0	-65.56	356.78	6.33	-59.23
C[N@@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)CC(C)(C)C	REAL300019972851	1	44	0.0	-62.60	358.20	6.49	-56.11
CN(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)CC(C)(C)C	REAL300019972851	1	43	-1.0	-39.53	360.20	4.91	-34.62
CN(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)CC(C)(C)C	REAL300019972851	1	43	-1.0	-39.53	360.26	4.91	-34.62
CN1C=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CC1=O	REAL300019972852	0	32	-1.0	-57.20	310.47	4.07	-53.13
CN1C=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CC1=O	REAL300019972852	1	32	-1.0	-57.26	310.40	4.08	-53.18
O=C(CC=CCC1=CC=CC=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972853	0	40	-1.0	-41.70	368.01	8.40	-33.30
O=C(CC=CCC1=CC=CC=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972853	1	40	-1.0	-41.69	368.08	8.39	-33.30
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(C2=CC=NC=C2)CCC1	REAL300019972854	0	39	-1.0	-39.49	347.49	6.10	-33.39
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(C2=CC=NC=C2)CCC1	REAL300019972854	1	39	-1.0	-39.49	347.43	6.11	-33.38
CN1CCOC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1=O	REAL300019972855	0	35	-1.0	-53.47	320.64	2.75	-50.72
CN1CCOC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1=O	REAL300019972855	1	35	-1.0	-53.44	320.71	2.74	-50.70
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(C2=CC=CC=N2)CC1	REAL300019972856	0	36	-1.0	-46.05	337.86	5.69	-40.36
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(C2=CC=CC=N2)CC1	REAL300019972856	1	36	-1.0	-46.09	337.79	5.70	-40.39
CC1=CN(C(C)(C)C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019972857	0	39	-1.0	-44.10	348.71	6.30	-37.80
CC1=CN(C(C)(C)C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019972857	1	39	-1.0	-56.06	348.78	6.29	-49.77
C=C(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972858	0	39	0.0	-79.96	341.96	5.79	-74.17
C=C(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972858	1	39	0.0	-79.93	342.03	5.78	-74.15
CC1=NN=C(CCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972859	0	34	-1.0	-51.23	325.68	-0.07	-51.30
CC1=NN=C(CCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972859	1	34	-1.0	-51.24	325.74	-0.08	-51.32
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NN=C(C2CC2)O1	REAL300019972860	0	32	-1.0	-45.75	315.06	0.25	-45.50
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NN=C(C2CC2)O1	REAL300019972860	1	32	-1.0	-45.74	315.12	0.25	-45.49
C=C1CC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972861	0	28	-1.0	-39.17	276.25	4.56	-34.61
C=C1CC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972861	1	28	-1.0	-39.13	276.32	4.55	-34.58
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CN2N=NN=C12	REAL300019972862	0	31	-1.0	-50.37	303.55	3.96	-46.41
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CN2N=NN=C12	REAL300019972862	1	31	-1.0	-50.43	303.48	3.97	-46.46
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CNC1=O	REAL300019972863	0	30	-1.0	-53.35	296.49	2.81	-50.54
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CNC1=O	REAL300019972863	1	30	-1.0	-53.15	296.27	2.81	-50.34
C#CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019972864	0	32	-1.0	-49.68	315.02	6.70	-42.98
C#CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019972864	1	32	-1.0	-49.84	314.81	6.72	-43.12
N#CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCOC1	REAL300019972865	0	32	-1.0	-38.74	304.77	2.61	-36.13
N#CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCOC1	REAL300019972865	1	32	-1.0	-38.73	304.83	2.60	-36.13
CC(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=CC=N1	REAL300019972866	0	34	-1.0	-52.55	318.24	2.91	-49.64
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=CC=N1	REAL300019972866	1	34	-1.0	-52.51	318.30	2.90	-49.61
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=NC=C1F	REAL300019972867	0	29	-1.0	-48.26	298.94	3.73	-44.53
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=NC=C1F	REAL300019972867	1	29	-1.0	-48.27	298.88	3.73	-44.54
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CSN=C1Cl	REAL300019972868	0	26	-1.0	-52.36	286.78	3.59	-48.77
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CSN=C1Cl	REAL300019972868	1	26	-1.0	-52.39	286.71	3.60	-48.79
O=C(CCOC1COC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972869	0	35	-1.0	-40.11	325.48	1.83	-38.28
O=C(CCOC1COC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972869	1	35	-1.0	-40.11	325.54	1.82	-38.29
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CSC=C1Cl	REAL300019972870	0	27	-1.0	-41.33	292.63	4.97	-36.36
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1Cl	REAL300019972870	1	27	-1.0	-52.23	292.67	4.96	-47.27
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019972871	0	41	-1.0	-40.77	357.28	5.47	-35.30
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1CCOCC1	REAL300019972871	1	41	-1.0	-50.68	357.65	5.45	-45.23
CCC(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(C)(C)C	REAL300019972872	0	44	-1.0	-48.58	351.55	6.49	-42.09
CCC(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(C)(C)C	REAL300019972872	1	44	-1.0	-48.55	351.62	6.48	-42.07
CCC1=CC=C(F)C=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972873	0	36	-1.0	-45.43	328.21	6.95	-38.48
CCC1=CC=C(F)C=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972873	1	36	-1.0	-45.37	328.28	6.94	-38.43
COCC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL300019972874	0	34	-1.0	-50.61	329.43	4.28	-46.33
COCC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL300019972874	1	34	-1.0	-50.55	329.49	4.28	-46.27
CN1C=CC2=CC=C(C(=O)NC3=CC(Br)=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300019972875	0	37	-1.0	-51.78	341.51	7.25	-44.53
CN1C=CC2=CC=C(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300019972875	1	37	-1.0	-51.73	341.57	7.25	-44.48
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972876	0	40	-1.0	-50.25	361.49	8.21	-42.04
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972876	1	40	-1.0	-50.18	361.56	8.21	-41.97
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)F)O1	REAL300019972877	0	30	-1.0	-45.65	306.82	4.64	-41.01
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)F)O1	REAL300019972877	1	30	-1.0	-45.63	306.88	4.63	-41.00
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(C(F)F)N=CO1	REAL300019972878	0	29	-1.0	-49.24	294.55	1.12	-48.12
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(C(F)F)N=CO1	REAL300019972878	1	29	-1.0	-49.22	294.61	1.10	-48.12
NC(=O)CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972879	0	30	-1.0	-42.19	290.11	0.04	-42.15
NC(=O)CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972879	1	30	-1.0	-42.19	290.17	0.03	-42.16
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(C#CCO)=C1	REAL300019972880	0	36	-1.0	-54.99	348.29	4.32	-50.67
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(C#CCO)=C1	REAL300019972880	1	36	-1.0	-55.55	348.36	4.30	-51.25
O=C(CN1CCOC1=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972881	0	32	-1.0	-49.04	307.40	3.02	-46.02
O=C(CN1CCOC1=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972881	1	32	-1.0	-57.13	307.76	3.00	-54.13
O=C(CCCN1C=NC=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972882	0	35	-1.0	-49.19	330.86	6.40	-42.79
O=C(CCCN1C=NC=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972882	1	35	-1.0	-49.19	330.80	6.41	-42.78
O=C(CN1CCNC(=O)C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972883	0	36	-1.0	-56.43	320.14	-0.76	-57.19
O=C(CN1CCNC(=O)C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972883	1	36	-1.0	-56.36	320.20	-0.76	-57.12
CCCC=CC(O)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972884	0	37	-1.0	-39.02	340.64	3.93	-35.09
CCCC=CC(O)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972884	1	37	-1.0	-39.04	340.70	3.92	-35.12
CC(C)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+]1CCCCC1	REAL300019972885	0	45	0.0	-66.93	357.30	6.80	-60.13
CC(C)(C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)N1CCCCC1	REAL300019972885	1	44	-1.0	-45.28	357.05	5.02	-40.26
CC(C)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)N1CCCCC1	REAL300019972885	1	44	-1.0	-45.22	357.11	5.01	-40.21
CC1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(Cl)=NN1	REAL300019972886	0	30	-1.0	-47.53	310.27	2.86	-44.67
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(Cl)=NN1	REAL300019972886	1	30	-1.0	-47.43	310.33	2.85	-44.58
CC1=NC=C(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019972887	0	32	-1.0	-55.57	309.86	1.79	-53.78
CC1=NC=C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972887	1	32	-1.0	-55.48	309.92	1.78	-53.70
O=C(CC1=CON=C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972888	0	29	-1.0	-54.35	287.49	3.58	-50.77
O=C(CC1=CON=C1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972888	1	29	-1.0	-54.39	287.43	3.58	-50.81
CC1=NC=C(C=CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019972889	0	33	-1.0	-49.14	329.62	4.70	-44.44
CC1=NC=C(C=CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019972889	1	33	-1.0	-49.10	329.68	4.69	-44.41
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=NC2=CC=NN21	REAL300019972890	0	32	-1.0	-46.58	307.91	4.74	-41.84
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=NC2=CC=NN21	REAL300019972890	1	32	-1.0	-46.55	307.85	4.74	-41.81
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972891	0	39	0.0	-66.36	332.38	5.58	-60.78
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972891	1	39	0.0	-72.92	332.23	5.58	-67.34
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC=CN=C1Cl	REAL300019972892	0	28	-1.0	-50.71	292.28	2.38	-48.33
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC=CN=C1Cl	REAL300019972892	1	28	-1.0	-50.76	292.22	2.39	-48.37
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC2=CC=NN2C=C1	REAL300019972893	0	32	-1.0	-45.90	312.50	4.48	-41.42
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC2=CC=NN2C=C1	REAL300019972893	1	32	-1.0	-40.94	312.44	4.49	-36.45
CN1C=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N(C)C1=O	REAL300019972894	0	34	-1.0	-56.91	320.05	4.24	-52.67
CN1C=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N(C)C1=O	REAL300019972894	1	34	-1.0	-56.87	320.11	4.25	-52.62
CC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N1C	REAL300019972895	0	33	-1.0	-52.62	306.14	4.62	-48.00
CC1=NC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N1C	REAL300019972895	1	33	-1.0	-52.59	306.20	4.61	-47.98
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972896	0	31	-1.0	-50.76	297.70	1.07	-49.69
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972896	1	31	-1.0	-50.72	297.76	1.07	-49.65
CC[C@@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019972897	0	38	0.0	-60.51	317.94	4.93	-55.58
CC[C@@H](C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)N(C)C	REAL300019972897	1	37	-1.0	-37.96	317.91	2.76	-35.20
CC[C@@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)N(C)C	REAL300019972897	1	37	-1.0	-37.96	317.97	2.75	-35.21
CC[C@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019972898	0	38	0.0	-63.27	317.71	4.93	-58.34
CC[C@H](C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)N(C)C	REAL300019972898	1	37	-1.0	-46.95	316.26	3.08	-43.87
CC[C@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)N(C)C	REAL300019972898	1	37	-1.0	-46.94	316.33	3.07	-43.87
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972899	0	44	0.0	-61.33	358.44	4.07	-57.26
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972899	1	44	0.0	-60.42	359.38	3.68	-56.74
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972899	1	44	0.0	-61.34	358.38	4.08	-57.26
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972899	1	44	0.0	-60.50	359.31	3.69	-56.81
CC1C(C2=CC=C(F)C(F)=C2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974202	0	42	-1.0	-38.01	349.31	7.06	-30.95
CC1C(C2=CC=C(F)C(F)=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974202	1	42	-1.0	-38.00	349.38	7.08	-30.92
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300019974203	0	37	-1.0	-55.56	329.31	0.04	-55.52
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300019974203	1	37	-1.0	-55.55	329.37	0.05	-55.50
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300019974204	0	40	-1.0	-61.35	342.14	2.18	-59.17
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300019974204	1	40	-1.0	-61.13	342.24	2.18	-58.95
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300019974205	0	37	-1.0	-41.55	326.92	0.08	-41.47
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300019974205	1	37	-1.0	-41.57	326.98	0.08	-41.49
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(C#N)C=N1	REAL300019974206	0	32	-1.0	-35.58	291.94	5.08	-30.50
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(C#N)C=N1	REAL300019974206	1	32	-1.0	-35.67	291.87	5.08	-30.59
CCOC(=O)C1=C(C)N=C(N(C)C(=O)CCCC2=N[N-]N=N2)O1	REAL300019974207	0	40	-1.0	-52.57	343.55	4.17	-48.40
CCOC(=O)C1=C(C)N=C(N(C)C(=O)CCCC2=NN=N[N-]2)O1	REAL300019974207	1	40	-1.0	-52.62	343.61	4.18	-48.44
CCOC(=O)C1=C(C)N=C(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)O1	REAL300019974208	0	43	-1.0	-55.97	365.33	6.69	-49.28
CCOC(=O)C1=C(C)N=C(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)O1	REAL300019974208	1	43	-1.0	-55.76	365.43	6.71	-49.05
CCOC(=O)C1=C(C)N=C(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300019974209	0	40	-1.0	-36.92	351.09	4.59	-32.33
CCOC(=O)C1=C(C)N=C(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300019974209	1	40	-1.0	-36.91	351.16	4.61	-32.30
CCOC(=O)C1=CN=C(N(C)C(=O)CCCC2=NN=N[N-]2)O1	REAL300019974210	0	37	-1.0	-52.03	325.76	2.97	-49.06
CCOC(=O)C1=CN=C(N(C)C(=O)CCCC2=N[N-]N=N2)O1	REAL300019974210	1	37	-1.0	-52.05	325.70	2.95	-49.10
CCOC(=O)C1=CN=C(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)O1	REAL300019974211	0	40	-1.0	-56.81	346.70	5.43	-51.38
CCOC(=O)C1=CN=C(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)O1	REAL300019974211	1	40	-1.0	-55.40	346.66	5.49	-49.91
CCOC(=O)C1=CN=C(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300019974212	0	37	-1.0	-36.73	333.31	3.36	-33.37
CCOC(=O)C1=CN=C(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300019974212	1	37	-1.0	-36.74	333.24	3.34	-33.40
O=C(N[C@@H]1CCC[C@@H]1C1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019974213	0	45	-1.0	-57.94	359.83	9.67	-48.27
O=C(N[C@@H]1CCC[C@@H]1C1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019974213	1	45	-1.0	-56.59	359.92	9.70	-46.89
O=C(N[C@@H]1CCC[C@@H]1C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974214	0	42	-1.0	-36.49	343.85	6.75	-29.74
O=C(N[C@@H]1CCC[C@@H]1C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974214	1	42	-1.0	-36.46	343.92	6.75	-29.71
O=C(N[C@H]1CCC[C@H]1C1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019974215	0	45	-1.0	-52.66	359.31	9.27	-43.39
O=C(N[C@H]1CCC[C@H]1C1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019974215	1	45	-1.0	-52.81	359.53	9.28	-43.53
O=C(N[C@H]1CCC[C@H]1C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974216	0	42	-1.0	-36.55	345.93	6.41	-30.14
O=C(N[C@H]1CCC[C@H]1C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974216	1	42	-1.0	-36.51	346.00	6.42	-30.09
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300019974217	0	43	-1.0	-49.05	351.40	4.24	-44.81
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300019974217	1	43	-1.0	-49.09	351.46	4.25	-44.84
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300019974218	0	46	-1.0	-55.93	375.32	6.78	-49.15
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300019974218	1	46	-1.0	-53.89	375.46	6.85	-47.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300019974219	0	43	-1.0	-36.91	359.14	4.49	-32.42
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300019974219	1	43	-1.0	-36.87	359.20	4.50	-32.37
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(O)=CC(Br)=C2C1	REAL300019974220	0	37	-1.0	-47.07	324.92	3.40	-43.67
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(O)=CC(Br)=C2C1	REAL300019974220	1	37	-1.0	-47.09	324.98	3.42	-43.67
O=C(CCCC1=N[N-]N=N1)NC1=CC2=CC=CC=C2C=C1Cl	REAL300019974221	0	35	-1.0	-47.27	313.01	6.24	-41.03
O=C(CCCC1=NN=N[N-]1)NC1=CC2=CC=CC=C2C=C1Cl	REAL300019974221	1	35	-1.0	-47.30	313.07	6.26	-41.04
O=C(NC1=CC2=CC=CC=C2C=C1Cl)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019974222	0	38	-1.0	-52.90	337.47	9.16	-43.74
O=C(NC1=CC2=CC=CC=C2C=C1Cl)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019974222	1	38	-1.0	-52.69	337.57	9.18	-43.51
O=C(NC1=CC2=CC=CC=C2C=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974223	0	35	-1.0	-36.90	324.68	6.07	-30.83
O=C(NC1=CC2=CC=CC=C2C=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974223	1	35	-1.0	-36.92	324.61	6.07	-30.85
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CCS(=O)(=O)CC2	REAL300019974224	0	42	-1.0	-55.87	334.32	1.48	-54.39
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CCS(=O)(=O)CC2	REAL300019974224	1	42	-1.0	-55.94	334.37	1.50	-54.44
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2(C1)CCS(=O)(=O)CC2	REAL300019974225	0	45	-1.0	-49.58	355.20	4.09	-45.49
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2(C1)CCS(=O)(=O)CC2	REAL300019974225	1	45	-1.0	-49.47	355.30	4.10	-45.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(C1)CCS(=O)(=O)CC2	REAL300019974226	0	42	-1.0	-45.38	343.80	1.85	-43.53
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(C1)CCS(=O)(=O)CC2	REAL300019974226	1	42	-1.0	-45.39	343.87	1.86	-43.53
CC1=CC=C(Cl)C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=C1	REAL300019974227	0	42	-1.0	-48.71	354.00	8.00	-40.71
CC1=CC=C(Cl)C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=C1	REAL300019974227	1	42	-1.0	-48.67	354.06	8.02	-40.65
CC1=CC=C(Cl)C(C2CCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019974228	0	45	-1.0	-40.96	375.42	10.53	-30.43
CC1=CC=C(Cl)C(C2CCCN2C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019974228	1	45	-1.0	-40.78	375.48	10.55	-30.23
CC1=CC=C(Cl)C(C2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019974229	0	42	-1.0	-37.17	360.96	8.24	-28.93
CC1=CC=C(Cl)C(C2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019974229	1	42	-1.0	-37.09	361.03	8.24	-28.85
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1I	REAL300019974230	0	32	-1.0	-46.33	309.06	6.75	-39.58
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1I	REAL300019974230	1	32	-1.0	-46.37	309.12	6.77	-39.60
O=C(CCCC1=N[N-]N=N1)N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F	REAL300019974231	0	38	-1.0	-45.16	346.26	5.52	-39.64
O=C(CCCC1=NN=N[N-]1)N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F	REAL300019974231	1	38	-1.0	-45.17	346.32	5.54	-39.63
O=C(N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974232	0	38	-1.0	-38.76	354.73	5.37	-33.39
O=C(N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974232	1	38	-1.0	-38.71	354.79	5.38	-33.33
O=C(CCCC1=N[N-]N=N1)N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300019974233	0	38	-1.0	-49.31	344.12	5.57	-43.74
O=C(CCCC1=NN=N[N-]1)N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300019974233	1	38	-1.0	-49.30	344.18	5.59	-43.71
O=C(N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974234	0	38	-1.0	-35.35	356.86	5.33	-30.02
O=C(N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974234	1	38	-1.0	-35.36	356.93	5.34	-30.02
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300019974235	0	43	-1.0	-53.94	349.82	4.19	-49.75
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300019974235	1	43	-1.0	-53.97	349.88	4.20	-49.77
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300019974236	0	46	-1.0	-45.23	374.71	6.71	-38.52
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300019974236	1	46	-1.0	-43.81	374.67	6.75	-37.06
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300019974237	0	43	-1.0	-42.26	357.54	4.46	-37.80
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300019974237	1	43	-1.0	-42.30	357.60	4.47	-37.83
O=C(CCCC1=N[N-]N=N1)N1CCC2=CC(F)=C(O)C=C2C1	REAL300019974238	0	37	-1.0	-49.62	312.69	2.97	-46.65
O=C(CCCC1=NN=N[N-]1)N1CCC2=CC(F)=C(O)C=C2C1	REAL300019974238	1	37	-1.0	-49.62	312.75	2.99	-46.63
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2=CC(F)=C(O)C=C2C1	REAL300019974239	0	40	-1.0	-54.40	334.84	5.47	-48.93
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2=CC(F)=C(O)C=C2C1	REAL300019974239	1	40	-1.0	-54.86	335.03	5.54	-49.32
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=CC(F)=C(O)C=C2C1	REAL300019974240	0	37	-1.0	-37.15	320.14	3.24	-33.91
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=CC(F)=C(O)C=C2C1	REAL300019974240	1	37	-1.0	-37.09	320.20	3.26	-33.83
O=C(CCCC1=N[N-]N=N1)NC(C1=CC=CC=C1Cl)C1CCCCC1	REAL300019974241	0	48	-1.0	-48.53	383.12	8.22	-40.31
O=C(CCCC1=NN=N[N-]1)NC(C1=CC=CC=C1Cl)C1CCCCC1	REAL300019974241	1	48	-1.0	-48.56	383.18	8.24	-40.32
O=C(NC(C1=CC=CC=C1Cl)C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974242	0	48	-1.0	-35.85	393.70	8.04	-27.81
O=C(NC(C1=CC=CC=C1Cl)C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974242	1	48	-1.0	-35.83	393.75	8.04	-27.79
CCOC(=O)C1=CC=C(NC)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019974243	0	43	-1.0	-58.27	361.88	4.05	-54.22
CCOC(=O)C1=CC=C(NC)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019974243	1	43	-1.0	-58.32	361.93	4.06	-54.26
CCOC(=O)C1=CC=C(NC)C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019974244	0	46	-1.0	-66.99	385.29	6.96	-60.03
CCOC(=O)C1=CC=C(NC)C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019974244	1	46	-1.0	-66.83	385.39	6.97	-59.86
CCOC(=O)C1=CC=C(NC)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019974245	0	43	-1.0	-42.87	371.57	3.84	-39.03
CCOC(=O)C1=CC=C(NC)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019974245	1	43	-1.0	-42.63	372.47	3.83	-38.80
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CCC(CO)CC2	REAL300019974246	0	46	-1.0	-48.34	357.20	2.09	-46.25
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CCC(CO)CC2	REAL300019974246	1	46	-1.0	-48.34	357.26	2.10	-46.24
O=C(NC1CC2(C1)CCC(CO)CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974247	0	46	-1.0	-36.84	367.79	1.89	-34.95
O=C(NC1CC2(C1)CCC(CO)CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974247	1	46	-1.0	-36.76	367.86	1.89	-34.87
O=C(CCCC1=N[N-]N=N1)N1CCC(O)C2(CCOCC2)C1	REAL300019974248	0	44	-1.0	-49.35	327.86	1.02	-48.33
O=C(CCCC1=NN=N[N-]1)N1CCC(O)C2(CCOCC2)C1	REAL300019974248	1	44	-1.0	-49.36	327.92	1.04	-48.32
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(O)C2(CCOCC2)C1	REAL300019974249	0	47	-1.0	-39.41	351.07	3.49	-35.92
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(O)C2(CCOCC2)C1	REAL300019974249	1	47	-1.0	-39.27	351.12	3.50	-35.77
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)C2(CCOCC2)C1	REAL300019974250	0	44	-1.0	-36.87	335.19	1.21	-35.66
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)C2(CCOCC2)C1	REAL300019974250	1	44	-1.0	-36.76	335.25	1.22	-35.54
O=C(CCCC1=N[N-]N=N1)N1CCN2N=C(Br)N=C2C1	REAL300019974251	0	32	-1.0	-48.51	293.16	3.27	-45.24
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CCCC1=NN(C)C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL300019996779	0	42	-1.0	-45.94	354.23	4.82	-41.12
CCCC1=NN(C)C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL300019996779	1	42	-1.0	-45.95	354.17	4.80	-41.15
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019996780	0	48	0.0	-48.90	361.49	6.07	-42.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019996780	1	48	0.0	-48.92	361.43	6.05	-42.87
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C2CCCCC2=NNC1=O	REAL300019996781	0	42	-1.0	-52.57	343.95	3.20	-49.37
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C2CCCCC2=NNC1=O	REAL300019996781	1	42	-1.0	-52.64	343.89	3.19	-49.45
CC(C)CC1=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=NO1	REAL300019996782	0	41	-1.0	-47.74	351.07	5.15	-42.59
CC(C)CC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=NO1	REAL300019996782	1	41	-1.0	-47.70	351.01	5.14	-42.56
CC1=C(C2CC2)ON=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019996783	0	39	-1.0	-47.92	338.91	5.25	-42.67
CC1=C(C2CC2)ON=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019996783	1	39	-1.0	-47.97	338.85	5.24	-42.73
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CN=C(C2CCOCC2)S1	REAL300019996784	0	43	-1.0	-47.82	372.17	3.68	-44.14
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CN=C(C2CCOCC2)S1	REAL300019996784	1	43	-1.0	-47.83	372.11	3.67	-44.16
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C12CC(C(F)(F)F)(C1)CO2	REAL300019996785	0	38	-1.0	-43.27	338.20	3.53	-39.74
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C12CC(C(F)(F)F)(C1)CO2	REAL300019996785	1	38	-1.0	-43.26	338.26	3.55	-39.71
CC1=[NH+]C=C2C=CC(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)=CN21	REAL300019996786	0	40	0.0	-58.93	340.82	6.66	-52.27
CC1=NC=C2C=CC(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)=CN21	REAL300019996786	1	39	-1.0	-47.55	337.37	6.21	-41.34
CC1=CN2CC(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)CCC2=N1	REAL300019996787	0	43	-1.0	-46.58	355.58	5.66	-40.92
CC1=CN2CC(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)CCC2=N1	REAL300019996787	1	43	-1.0	-46.59	355.64	5.67	-40.92
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CN=C2COCCC2=C1	REAL300019996788	0	40	-1.0	-47.52	337.99	3.21	-44.31
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CN=C2COCCC2=C1	REAL300019996788	1	40	-1.0	-47.53	337.93	3.20	-44.33
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019996789	0	41	-1.0	-43.65	351.41	7.03	-36.62
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019996789	1	41	-1.0	-43.69	351.35	7.02	-36.67
CC1=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=NN1CC(F)(F)F	REAL300019996790	0	39	-1.0	-52.55	353.84	4.46	-48.09
CC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=NN1CC(F)(F)F	REAL300019996790	1	39	-1.0	-52.56	353.78	4.45	-48.11
CN1C=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C2=CC=CC(Cl)=C21	REAL300019996791	0	40	-1.0	-52.94	354.81	6.95	-45.99
CN1C=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C2=CC=CC(Cl)=C21	REAL300019996791	1	40	-1.0	-52.96	354.76	6.94	-46.02
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019996792	0	42	-1.0	-47.37	366.21	6.66	-40.71
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019996792	1	42	-1.0	-47.38	366.15	6.64	-40.74
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C(F)C1CCOCC1	REAL300019996793	0	40	-1.0	-48.02	328.40	3.52	-44.50
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)C1CCOCC1	REAL300019996793	1	40	-1.0	-48.05	328.34	3.50	-44.55
CCC1=CC=NC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL300019996794	0	38	-1.0	-50.66	329.20	4.67	-45.99
CCC1=CC=NC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL300019996794	1	38	-1.0	-50.66	329.15	4.65	-46.01
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CN=CC(N2C=CC=N2)=N1	REAL300019996795	0	38	-1.0	-45.94	341.80	3.64	-42.30
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CN=CC(N2C=CC=N2)=N1	REAL300019996795	1	38	-1.0	-45.94	341.75	3.62	-42.32
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(F)=CC2=CN=CC=C21	REAL300019996796	0	38	-1.0	-48.11	331.23	5.50	-42.61
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(F)=CC2=CN=CC=C21	REAL300019996796	1	38	-1.0	-48.09	331.18	5.48	-42.61
CN1N=NC=C1C1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1	REAL300019996797	0	42	-1.0	-51.46	358.55	4.74	-46.72
CN1N=NC=C1C1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=C1	REAL300019996797	1	42	-1.0	-51.47	358.50	4.73	-46.74
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019996798	0	51	-1.0	-51.70	409.51	5.77	-45.93
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019996798	1	51	-1.0	-51.67	409.45	5.77	-45.90
CC1=CC(C)=C2NC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC2=C1	REAL300020004202	0	40	-1.0	-45.89	342.84	6.16	-39.73
CC1=CC(C)=C2NC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC2=C1	REAL300020004202	1	40	-1.0	-45.81	342.88	6.15	-39.66
CC1=NC2=C(NC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)S1	REAL300020004203	0	33	-1.0	-48.10	307.26	2.76	-45.34
CC1=NC2=C(NC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)S1	REAL300020004203	1	33	-1.0	-48.12	307.21	2.76	-45.36
CC1(C)OCC2=C1NN=C2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004204	0	38	-1.0	-46.26	326.60	1.93	-44.33
CC1(C)OCC2=C1NN=C2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004204	1	38	-1.0	-46.28	326.64	1.92	-44.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(C2CCOCC2)=C1	REAL300020004205	0	41	-1.0	-45.64	344.19	2.80	-42.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(C2CCOCC2)=C1	REAL300020004205	1	41	-1.0	-45.61	344.23	2.79	-42.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCCC2)N=C1	REAL300020004206	0	40	-1.0	-46.50	334.42	5.29	-41.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCCC2)N=C1	REAL300020004206	1	40	-1.0	-46.50	334.38	5.30	-41.20
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020004207	0	48	-1.0	-45.14	377.82	7.24	-37.90
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020004207	1	48	-1.0	-45.11	377.86	7.23	-37.88
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC2=C1CC(F)(F)CC2	REAL300020004208	0	36	-1.0	-45.84	318.38	5.01	-40.83
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2=C1CC(F)(F)CC2	REAL300020004208	1	36	-1.0	-45.88	318.70	5.00	-40.88
O=C(CCN1C=CC2=CC=CN=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004209	0	39	-1.0	-49.39	340.31	6.73	-42.66
O=C(CCN1C=CC2=CC=CN=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004209	1	39	-1.0	-49.37	340.26	6.74	-42.63
CCCC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300020004210	0	35	-1.0	-44.45	318.66	4.15	-40.30
CCCC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300020004210	1	35	-1.0	-44.45	318.71	4.14	-40.31
CC1=NN(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300020004211	0	33	-1.0	-44.68	310.64	3.66	-41.02
CC1=NN(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300020004211	1	33	-1.0	-45.09	310.94	3.64	-41.45
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1	REAL300020004212	0	40	-1.0	-45.84	335.35	5.03	-40.81
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1	REAL300020004212	1	40	-1.0	-45.82	335.39	5.03	-40.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(F)C(F)=C1	REAL300020004213	0	29	-1.0	-45.16	274.24	3.10	-42.06
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(F)C(F)=C1	REAL300020004213	1	29	-1.0	-45.18	274.20	3.09	-42.09
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004214	0	36	-1.0	-53.40	309.22	5.42	-47.98
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004214	1	36	-1.0	-53.37	309.26	5.41	-47.96
COC(=O)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)S1	REAL300020004215	0	36	-1.0	-45.89	331.77	5.38	-40.51
COC(=O)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)S1	REAL300020004215	1	36	-1.0	-45.87	331.82	5.38	-40.49
CC(C)(C)C1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL300020004216	0	39	-1.0	-46.35	331.89	4.03	-42.32
CC(C)(C)C1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL300020004216	1	39	-1.0	-46.34	331.93	4.02	-42.32
COC(=O)C1=CC2=C(SC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)S1	REAL300020004217	0	36	-1.0	-45.87	351.71	6.12	-39.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC2=CC=CC=C21	REAL300020004218	0	37	-1.0	-45.31	312.31	6.64	-38.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC2=CC=CC=C21	REAL300020004218	1	37	-1.0	-45.26	312.36	6.64	-38.62
CCN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL300020004219	0	36	-1.0	-57.24	313.49	4.64	-52.60
CCN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL300020004219	1	36	-1.0	-57.27	313.54	4.64	-52.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2CCOC2=C1	REAL300020004220	0	35	-1.0	-49.99	302.07	4.76	-45.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2CCOC2=C1	REAL300020004220	1	35	-1.0	-49.98	302.11	4.76	-45.22
COC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300020004221	0	33	-1.0	-51.33	297.91	2.57	-48.76
COC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300020004221	1	33	-1.0	-51.34	297.86	2.57	-48.77
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300020004222	0	39	-1.0	-52.99	357.02	5.42	-47.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300020004222	1	39	-1.0	-52.92	357.06	5.41	-47.51
O=C(CSC1=CC=CC(Cl)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004223	0	34	-1.0	-49.33	326.13	6.55	-42.78
O=C(CSC1=CC=CC(Cl)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004223	1	34	-1.0	-49.35	326.17	6.55	-42.80
COCC1=CN=C(OC)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004224	0	40	-1.0	-50.22	346.39	2.47	-47.75
COCC1=CN=C(OC)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004224	1	40	-1.0	-50.27	346.36	2.47	-47.80
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004225	0	43	-1.0	-46.76	366.72	8.24	-38.52
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004225	1	43	-1.0	-46.76	366.76	8.23	-38.53
O=C(CN1N=NC(C2CC2)=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004226	0	35	-1.0	-54.99	314.86	3.13	-51.86
O=C(CN1N=NC(C2CC2)=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004226	1	35	-1.0	-54.99	314.62	3.13	-51.86
CC1(C)OC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2O1	REAL300020004227	0	39	-1.0	-49.02	334.64	5.18	-43.84
CC1(C)OC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2O1	REAL300020004227	1	39	-1.0	-49.06	334.68	5.18	-43.88
COC1=CC=C(C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(F)F)C=C1	REAL300020004228	0	43	-1.0	-47.40	365.19	6.18	-41.22
COC1=CC=C(C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)F)C=C1	REAL300020004228	1	43	-1.0	-47.40	365.24	6.17	-41.23
COC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004229	0	39	-1.0	-50.56	330.94	4.88	-45.68
COC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004229	1	39	-1.0	-50.56	330.99	4.88	-45.68
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C2=CC=C(F)C=C2)S1	REAL300020004230	0	39	-1.0	-45.50	358.26	6.53	-38.97
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C2=CC=C(F)C=C2)S1	REAL300020004230	1	39	-1.0	-45.49	358.30	6.53	-38.96
CC1=CSC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N=CN=C12	REAL300020004231	0	34	-1.0	-44.44	315.15	4.92	-39.52
CC1=CSC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N=CN=C12	REAL300020004231	1	34	-1.0	-44.47	315.12	4.92	-39.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300020004232	0	44	-1.0	-49.50	369.03	5.15	-44.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300020004232	1	44	-1.0	-49.52	369.08	5.14	-44.38
CC(C)(C)OC(=O)NC1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300020004233	0	47	-1.0	-60.39	392.78	3.15	-57.24
CC(C)(C)OC(=O)NC1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300020004233	1	47	-1.0	-60.38	392.81	3.14	-57.24
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004234	0	51	-1.0	-56.04	416.27	5.35	-50.69
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004234	1	51	-1.0	-55.98	416.31	5.35	-50.63
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004235	0	50	-1.0	-46.78	400.23	4.32	-42.46
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004235	1	50	-1.0	-46.82	400.26	4.31	-42.51
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004236	0	53	-1.0	-49.68	426.82	5.20	-44.48
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004236	1	53	-1.0	-49.67	426.86	5.19	-44.48
CC(C)(C)OC(=O)NCCOCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004237	0	50	-1.0	-48.85	412.80	2.49	-46.36
CC(C)(C)OC(=O)NCCOCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004237	1	50	-1.0	-48.84	412.84	2.48	-46.36
O=C(CSC1=CC=CC=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004238	0	33	-1.0	-47.67	307.79	4.45	-43.22
O=C(CSC1=CC=CC=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004238	1	33	-1.0	-47.67	307.74	4.46	-43.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300020004239	0	39	-2.0	-95.65	352.22	4.86	-90.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300020004239	1	39	-2.0	-95.63	352.27	4.85	-90.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300020004239	1	39	-2.0	-92.49	352.30	4.91	-87.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300020004239	1	39	-2.0	-92.45	352.35	4.91	-87.54
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC=C(F)C=C21	REAL300020004240	0	37	-1.0	-45.89	324.29	5.60	-40.29
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC=C(F)C=C21	REAL300020004240	1	37	-1.0	-45.88	324.33	5.59	-40.29
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004241	0	37	-1.0	-47.39	326.94	6.81	-40.58
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004241	1	37	-1.0	-47.40	326.98	6.80	-40.60
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300020004242	0	40	-1.0	-51.53	359.02	5.24	-46.29
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300020004242	1	40	-1.0	-51.50	359.05	5.23	-46.27
COC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300020004243	0	39	-1.0	-48.35	344.97	5.86	-42.49
COC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300020004243	1	39	-1.0	-48.32	345.01	5.85	-42.47
C[C@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCOC2=C1	REAL300020004244	0	39	-1.0	-49.23	332.88	4.76	-44.47
C[C@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OCOC2=C1	REAL300020004244	1	39	-1.0	-49.25	332.93	4.77	-44.48
CS(=O)(=O)N1CCC(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004245	0	45	-1.0	-55.49	382.44	1.92	-53.57
CS(=O)(=O)N1CCC(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004245	1	45	-1.0	-55.47	382.48	1.92	-53.55
CC1=CN(C2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)N=C1	REAL300020004246	0	40	-1.0	-55.73	346.82	6.76	-48.97
CC1=CN(C2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)N=C1	REAL300020004246	1	40	-1.0	-55.70	346.78	6.77	-48.93
CC(CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004247	0	39	-1.0	-46.92	340.57	6.98	-39.94
CC(CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004247	1	39	-1.0	-46.91	340.61	6.97	-39.94
N#CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020004248	0	41	-1.0	-49.56	364.40	8.62	-40.94
N#CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004248	1	41	-1.0	-49.55	364.43	8.61	-40.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CC(F)=CC=C21	REAL300020004249	0	36	-1.0	-48.29	314.44	7.23	-41.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CC(F)=CC=C21	REAL300020004249	1	36	-1.0	-48.35	314.48	7.24	-41.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2OC=CC2=C1	REAL300020004250	0	32	-1.0	-48.68	288.89	2.17	-46.51
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2OC=CC2=C1	REAL300020004250	1	32	-1.0	-48.69	288.84	2.17	-46.52
O=C(CCC1=CSC(Br)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004251	0	33	-1.0	-45.54	323.93	6.04	-39.50
O=C(CCC1=CSC(Br)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004251	1	33	-1.0	-45.55	323.97	6.05	-39.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1C1CC1(F)F	REAL300020004252	0	34	-1.0	-47.07	307.94	4.66	-42.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1C1CC1(F)F	REAL300020004252	1	34	-1.0	-47.11	307.89	4.67	-42.44
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004253	0	43	-1.0	-48.43	348.44	4.99	-43.44
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004253	1	43	-1.0	-48.40	348.49	4.98	-43.42
CCOC1=CC=C2NC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C(C)C2=C1	REAL300020004254	0	44	-1.0	-47.15	369.27	5.74	-41.41
CCOC1=CC=C2NC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C(C)C2=C1	REAL300020004254	1	44	-1.0	-47.14	369.31	5.73	-41.41
CCC1=CC=C2NC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C(C)C2=C1	REAL300020004255	0	43	-1.0	-45.45	360.74	6.96	-38.49
CCC1=CC=C2NC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C(C)C2=C1	REAL300020004255	1	43	-1.0	-45.45	360.78	6.96	-38.49
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC(C)=CC(C)=C21	REAL300020004256	0	43	-1.0	-45.56	353.29	6.64	-38.92
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC(C)=CC(C)=C21	REAL300020004256	1	43	-1.0	-45.54	353.33	6.64	-38.90
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC=C(C(C)C)C=C21	REAL300020004257	0	46	-1.0	-45.28	377.91	7.44	-37.84
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC=C(C(C)C)C=C21	REAL300020004257	1	46	-1.0	-45.31	377.95	7.43	-37.88
CC1=CC(CC2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC2)=CC=C1F	REAL300020004258	0	43	-1.0	-50.13	369.85	8.18	-41.95
CC1=CC(CC2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)=CC=C1F	REAL300020004258	1	43	-1.0	-50.16	369.90	8.17	-41.99
CC1=CC(F)=CC=C1CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004259	0	43	-1.0	-51.21	359.83	7.87	-43.34
CC1=CC(F)=CC=C1CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004259	1	43	-1.0	-51.26	359.89	7.87	-43.39
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL300020004260	0	43	-1.0	-51.24	347.20	7.58	-43.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL300020004260	1	43	-1.0	-51.22	351.31	7.74	-43.48
COC(=O)C1=C2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)SC2=CC=C1	REAL300020004261	0	39	-1.0	-52.99	356.46	6.84	-46.15
COC(=O)C1=C2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)SC2=CC=C1	REAL300020004261	1	39	-1.0	-52.96	356.50	6.83	-46.13
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004262	0	41	-1.0	-51.55	354.01	4.98	-46.57
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004262	1	41	-1.0	-51.55	353.96	4.99	-46.56
CC12CC3(C)CC(O)(C1)CC(C(=O)NC1=CC=C(C4=N[N-]N=N4)C=C1)(C2)C3	REAL300020004263	0	51	-1.0	-46.52	382.42	4.45	-42.07
CC12CC3(C)CC(O)(C1)CC(C(=O)NC1=CC=C(C4=NN=N[N-]4)C=C1)(C2)C3	REAL300020004263	1	51	-1.0	-46.47	382.17	4.45	-42.02
CC(C)(C)OC(=O)NCC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004264	0	50	-1.0	-49.39	404.76	4.25	-45.14
CC(C)(C)OC(=O)NCC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004264	1	50	-1.0	-49.36	404.52	4.26	-45.10
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004265	0	37	-1.0	-47.39	326.94	6.81	-40.58
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004265	1	37	-1.0	-47.40	326.98	6.80	-40.60
CC(=CC1=CC=CS1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004266	0	34	-1.0	-45.64	302.82	5.77	-39.87
CC(=CC1=CC=CS1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004266	1	34	-1.0	-45.65	302.86	5.77	-39.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300020004267	0	36	-1.0	-46.32	329.74	6.02	-40.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300020004267	1	36	-1.0	-46.29	329.70	6.03	-40.26
CC1=CC=CC(C(F)(F)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004268	0	36	-1.0	-42.38	322.26	6.35	-36.03
CC1=CC=CC(C(F)(F)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004268	1	36	-1.0	-42.33	322.30	6.34	-35.99
COC1=CSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1OC	REAL300020004269	0	35	-1.0	-48.57	318.98	3.81	-44.76
COC1=CSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1OC	REAL300020004269	1	35	-1.0	-48.57	319.03	3.79	-44.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C2=CC=CN=C12	REAL300020004270	0	35	-1.0	-51.78	324.06	6.23	-45.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)C2=CC=CN=C12	REAL300020004270	1	35	-1.0	-51.74	324.01	6.21	-45.53
CSC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1	REAL300020004271	0	37	-1.0	-45.49	347.29	7.08	-38.41
CSC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1	REAL300020004271	1	37	-1.0	-45.48	347.34	7.07	-38.41
CC1=CC2=NC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300020004272	0	38	-1.0	-46.74	328.89	5.94	-40.80
CC1=CC2=NC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300020004272	1	38	-1.0	-46.76	328.93	5.94	-40.82
COC1=C(F)C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300020004273	0	34	-1.0	-51.71	310.49	4.45	-47.26
COC1=C(F)C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300020004273	1	34	-1.0	-51.76	310.54	4.45	-47.31
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300020004274	0	36	-1.0	-57.46	330.04	4.95	-52.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300020004274	1	36	-1.0	-57.46	330.08	4.94	-52.52
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(C2=COC=C2)=C1	REAL300020004275	0	36	-1.0	-47.29	320.72	4.69	-42.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(C2=COC=C2)=C1	REAL300020004275	1	36	-1.0	-47.30	320.67	4.70	-42.60
C[C@@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020004276	0	43	-1.0	-47.08	371.96	6.59	-40.49
C[C@@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020004276	1	43	-1.0	-47.10	372.01	6.58	-40.52
CC1(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCS1(=O)=O	REAL300020004277	0	39	-1.0	-52.50	328.27	1.69	-50.81
CC1(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCS1(=O)=O	REAL300020004277	1	39	-1.0	-52.43	328.30	1.68	-50.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300020004278	0	36	-1.0	-52.77	308.72	3.18	-49.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300020004278	1	36	-1.0	-52.81	308.68	3.19	-49.62
CCCC1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020004279	0	42	-1.0	-47.43	355.52	7.79	-39.64
CCCC1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004279	1	42	-1.0	-47.45	355.56	7.79	-39.66
CC(C)N1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL300020004280	0	39	-1.0	-56.36	329.89	5.05	-51.31
CC(C)N1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL300020004280	1	39	-1.0	-56.33	329.94	5.04	-51.29
O=C(CCCCN1C(=O)CCC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004281	0	42	-1.0	-54.54	360.58	4.62	-49.92
O=C(CCCCN1C(=O)CCC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004281	1	42	-1.0	-54.51	360.63	4.61	-49.90
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C1=CC=C(F)C=C1	REAL300020004282	0	42	-1.0	-48.52	348.40	7.30	-41.22
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C1=CC=C(F)C=C1	REAL300020004282	1	42	-1.0	-48.50	348.45	7.30	-41.20
C=CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300020004283	0	41	-1.0	-45.72	319.23	4.00	-41.72
C=CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300020004283	1	41	-1.0	-45.70	319.28	3.99	-41.71
CN1C=CC(N2C=NC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)=N1	REAL300020004284	0	37	-1.0	-52.92	333.71	6.12	-46.80
CN1C=CC(N2C=NC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)=N1	REAL300020004284	1	37	-1.0	-52.95	333.67	6.14	-46.81
CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004285	0	37	-1.0	-45.84	319.99	6.73	-39.11
CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004285	1	37	-1.0	-45.85	320.03	6.72	-39.13
CCCCC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300020004286	0	38	-1.0	-44.43	340.16	4.93	-39.50
CCCCC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300020004286	1	38	-1.0	-44.46	340.20	4.92	-39.54
O=C(CF)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020004287	0	35	-1.0	-54.63	315.30	5.53	-49.10
O=C(CF)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004287	1	35	-1.0	-54.65	315.34	5.53	-49.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=CNC2=CN=C1	REAL300020004288	0	33	-1.0	-50.65	290.32	3.13	-47.52
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=CNC2=CN=C1	REAL300020004288	1	33	-1.0	-50.63	290.36	3.12	-47.51
CN(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C#N)C=C1F	REAL300020004289	0	39	-1.0	-52.05	348.13	5.08	-46.97
CN(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C#N)C=C1F	REAL300020004289	1	39	-1.0	-51.89	347.90	5.09	-46.80
CC1(C)CCC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004290	0	45	-1.0	-46.02	338.68	6.42	-39.60
CC1(C)CCC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004290	1	45	-1.0	-46.07	338.72	6.42	-39.65
CCC1=NC2=CC=CC=C2C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004291	0	41	-1.0	-48.01	342.37	6.65	-41.36
CCC1=NC2=CC=CC=C2C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004291	1	41	-1.0	-48.02	342.43	6.64	-41.38
CCCN1C(=O)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1C1=CC=CC=C1	REAL300020004292	0	50	-1.0	-50.91	413.47	8.19	-42.72
CCCN1C(=O)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1C1=CC=CC=C1	REAL300020004292	1	50	-1.0	-50.64	413.80	8.17	-42.47
COC1=CC=C(F)C=C1CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004293	0	44	-1.0	-49.96	376.33	6.90	-43.06
COC1=CC=C(F)C=C1CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004293	1	44	-1.0	-49.92	376.39	6.92	-43.00
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1C(F)(F)F	REAL300020004294	0	31	-1.0	-44.44	296.37	4.38	-40.06
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1C(F)(F)F	REAL300020004294	1	31	-1.0	-44.46	296.41	4.37	-40.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC2=C1OCO2	REAL300020004295	0	33	-1.0	-48.69	312.42	3.87	-44.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC2=C1OCO2	REAL300020004295	1	33	-1.0	-48.69	312.46	3.87	-44.82
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC(F)(F)CC1CCCC2	REAL300020004296	0	43	-1.0	-47.12	334.79	6.85	-40.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(F)(F)CC1CCCC2	REAL300020004296	1	43	-1.0	-47.10	334.84	6.84	-40.26
CC1=CC=CC(C2=NOC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)=C1	REAL300020004297	0	39	-1.0	-43.70	346.66	6.55	-37.15
CC1=CC=CC(C2=NOC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)=C1	REAL300020004297	1	39	-1.0	-43.70	346.62	6.56	-37.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300020004298	0	36	-1.0	-42.76	341.94	6.40	-36.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300020004298	1	36	-1.0	-42.70	341.89	6.42	-36.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL300020004299	0	36	-1.0	-45.10	337.62	6.56	-38.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL300020004299	1	36	-1.0	-45.08	337.57	6.58	-38.50
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL300020004300	0	50	-1.0	-48.35	398.03	4.71	-43.64
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300020004300	1	50	-1.0	-48.36	398.00	4.69	-43.67
COC(=O)[C@@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)NC(=O)OC(C)(C)C	REAL300020004301	0	49	-1.0	-55.28	410.89	3.91	-51.37
COC(=O)[C@@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)NC(=O)OC(C)(C)C	REAL300020004301	1	49	-1.0	-55.31	410.94	3.90	-51.41
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC=C(C(F)(F)F)C=C21	REAL300020004302	0	40	-1.0	-45.64	356.84	6.52	-39.12
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC=C(C(F)(F)F)C=C21	REAL300020004302	1	40	-1.0	-45.67	356.87	6.52	-39.15
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=C(C)C=CC=C12	REAL300020004303	0	40	-1.0	-45.61	338.79	6.18	-39.43
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=C(C)C=CC=C12	REAL300020004303	1	40	-1.0	-45.56	338.83	6.17	-39.39
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCOC1CCOC2	REAL300020004304	0	39	-1.0	-47.31	308.05	3.07	-44.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCOC1CCOC2	REAL300020004304	1	39	-1.0	-47.27	308.10	3.07	-44.20
CC(=O)CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020004305	0	41	-1.0	-55.73	331.39	5.80	-49.93
CC(=O)CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020004305	1	41	-1.0	-55.74	331.43	5.79	-49.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C1CC1)C1CCCO1	REAL300020004306	0	41	-1.0	-43.37	331.84	5.23	-38.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C1CC1)C1CCCO1	REAL300020004306	1	41	-1.0	-43.39	331.89	5.23	-38.16
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004307	0	39	-1.0	-52.69	332.04	6.66	-46.03
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004307	1	39	-1.0	-52.71	332.16	6.65	-46.06
N#CC1CCCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004308	0	40	-1.0	-56.80	327.39	5.84	-50.96
N#CC1CCCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004308	1	40	-1.0	-56.80	327.43	5.83	-50.97
CCOC(=O)C12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)OC2	REAL300020004309	0	41	-1.0	-45.45	353.30	4.04	-41.41
CCOC(=O)C12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)OC2	REAL300020004309	1	41	-1.0	-45.42	353.34	4.03	-41.39
CC1(C)CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(C)(C)O1	REAL300020004310	0	49	-1.0	-46.72	377.01	6.10	-40.62
CC1(C)CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C)(C)O1	REAL300020004310	1	49	-1.0	-46.71	376.76	6.10	-40.61
O=C(CC1CCN2C=NC=C2C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004311	0	40	-1.0	-54.79	329.75	6.50	-48.29
O=C(CC1CCN2C=NC=C2C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004311	1	40	-1.0	-54.74	329.79	6.48	-48.26
O=C(CCCCCN1C=NN=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004312	0	40	-1.0	-59.45	346.61	5.09	-54.36
O=C(CCCCCN1C=NN=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004312	1	40	-1.0	-59.43	346.56	5.09	-54.34
O=C(CCC1=NC=C(F)C=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004313	0	34	-1.0	-46.95	308.94	3.64	-43.31
O=C(CCC1=NC=C(F)C=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004313	1	34	-1.0	-46.99	308.99	3.63	-43.36
N#CC1=CC=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(Br)=C1	REAL300020004314	0	37	-1.0	-48.41	350.53	7.22	-41.19
N#CC1=CC=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(Br)=C1	REAL300020004314	1	37	-1.0	-48.41	350.57	7.22	-41.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2NC(=O)NCC2=C1	REAL300020004315	0	37	-1.0	-50.35	320.79	1.97	-48.38
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2NC(=O)NCC2=C1	REAL300020004315	1	37	-1.0	-50.34	320.84	1.98	-48.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(CC(F)(F)F)C1=CC=CC=C1	REAL300020004316	0	39	-1.0	-46.72	342.61	7.04	-39.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(CC(F)(F)F)C1=CC=CC=C1	REAL300020004316	1	39	-1.0	-46.72	342.65	7.03	-39.69
CN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC(F)=CC=C21	REAL300020004317	0	36	-1.0	-50.35	324.51	4.93	-45.42
CN1N=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC(F)=CC=C21	REAL300020004317	1	36	-1.0	-50.34	324.47	4.94	-45.40
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC2=C1CS(=O)(=O)C2	REAL300020004318	0	34	-1.0	-56.89	315.21	0.80	-56.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC2=C1CS(=O)(=O)C2	REAL300020004318	1	34	-1.0	-56.86	315.26	0.79	-56.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CCOC2)C=C1	REAL300020004319	0	41	-1.0	-46.72	340.95	5.51	-41.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CCOC2)C=C1	REAL300020004319	1	41	-1.0	-46.72	340.98	5.51	-41.21
CN1C=C(C2=NOC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)C=N1	REAL300020004320	0	36	-1.0	-46.13	329.93	3.74	-42.39
CN1C=C(C2=NOC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)C=N1	REAL300020004320	1	36	-1.0	-46.12	329.88	3.75	-42.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC2=C1CCCC2	REAL300020004321	0	39	-1.0	-45.32	318.64	5.60	-39.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC2=C1CCCC2	REAL300020004321	1	39	-1.0	-45.32	318.69	5.60	-39.72
CC1=CC=CN2N=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C12	REAL300020004322	0	36	-1.0	-49.89	307.04	5.32	-44.57
CC1=CC=CN2N=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C12	REAL300020004322	1	36	-1.0	-49.89	307.00	5.33	-44.56
C=CCNC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020004323	0	41	-1.0	-51.48	357.23	4.59	-46.89
C=CCNC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004323	1	41	-1.0	-51.51	357.27	4.58	-46.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL300020004324	0	39	-1.0	-49.36	347.30	6.76	-42.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL300020004324	1	39	-1.0	-49.32	347.26	6.75	-42.57
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC(C)=CC=C21	REAL300020004325	0	40	-1.0	-45.51	339.26	6.19	-39.32
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC(C)=CC=C21	REAL300020004325	1	40	-1.0	-45.47	339.30	6.18	-39.29
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020004326	0	39	-1.0	-48.38	345.97	6.19	-42.19
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020004326	1	39	-1.0	-48.38	346.01	6.19	-42.19
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC(Cl)=CC=C21	REAL300020004327	0	37	-1.0	-44.31	334.59	6.03	-38.28
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC(Cl)=CC=C21	REAL300020004327	1	37	-1.0	-44.36	334.64	6.02	-38.34
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC(F)=CC=C21	REAL300020004328	0	37	-1.0	-44.65	324.29	5.60	-39.05
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC(F)=CC=C21	REAL300020004328	1	37	-1.0	-44.66	324.33	5.59	-39.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CN=NN21	REAL300020004329	0	32	-1.0	-50.62	285.88	3.60	-47.02
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CN=NN21	REAL300020004329	1	32	-1.0	-50.59	285.84	3.61	-46.98
CC1=C2N=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CN2N=C1	REAL300020004330	0	35	-1.0	-45.28	313.06	4.54	-40.74
CC1=C2N=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CN2N=C1	REAL300020004330	1	35	-1.0	-45.23	313.02	4.54	-40.69
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC12CCC2	REAL300020004331	0	54	-1.0	-46.93	436.78	5.57	-41.36
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC12CCC2	REAL300020004331	1	54	-1.0	-46.94	436.81	5.57	-41.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CC(F)=C1F	REAL300020004332	0	30	-1.0	-47.33	298.63	5.66	-41.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CC(F)=C1F	REAL300020004332	1	30	-1.0	-47.30	298.68	5.66	-41.64
C[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N1C(=O)OC(C)(C)C	REAL300020004333	0	53	-1.0	-53.03	404.55	6.86	-46.17
C[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N1C(=O)OC(C)(C)C	REAL300020004333	1	53	-1.0	-53.01	404.59	6.85	-46.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1C(F)(F)F	REAL300020004334	0	33	-1.0	-53.23	303.20	5.84	-47.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1C(F)(F)F	REAL300020004334	1	33	-1.0	-53.21	303.24	5.83	-47.38
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004335	0	54	-1.0	-45.49	417.38	5.61	-39.88
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004335	1	54	-1.0	-45.50	417.44	5.60	-39.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2SN=CC2=CC=C1	REAL300020004336	0	32	-1.0	-55.46	296.52	5.08	-50.38
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2SN=CC2=CC=C1	REAL300020004336	1	32	-1.0	-55.41	296.48	5.08	-50.33
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004337	0	54	-1.0	-51.71	416.55	7.33	-44.38
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004337	1	54	-1.0	-51.67	416.59	7.32	-44.35
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020004338	0	54	-1.0	-56.35	422.70	6.64	-49.71
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020004338	1	54	-1.0	-56.34	422.74	6.63	-49.71
CCC(CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)NC(=O)OC(C)(C)C	REAL300020004339	0	52	-1.0	-47.05	412.44	4.78	-42.27
CCC(CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)NC(=O)OC(C)(C)C	REAL300020004339	1	52	-1.0	-47.03	412.48	4.77	-42.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)F)C=N1	REAL300020004340	0	32	-1.0	-46.31	297.97	4.08	-42.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)F)C=N1	REAL300020004340	1	32	-1.0	-46.34	297.93	4.09	-42.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2SC=CC2=C(F)C=C1	REAL300020004341	0	33	-1.0	-47.89	307.31	6.32	-41.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2SC=CC2=C(F)C=C1	REAL300020004341	1	33	-1.0	-47.91	307.35	6.32	-41.59
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C1=CC=CC=C1	REAL300020004342	0	43	-1.0	-48.12	363.82	9.05	-39.07
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C1=CC=CC=C1	REAL300020004342	1	43	-1.0	-48.15	363.86	9.03	-39.12
CC(C)(C)OC(=O)NC1(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004343	0	50	-1.0	-52.02	408.58	4.65	-47.37
CC(C)(C)OC(=O)NC1(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004343	1	50	-1.0	-52.03	408.64	4.65	-47.38
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004344	0	43	-1.0	-45.63	356.24	9.01	-36.62
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004344	1	43	-1.0	-45.64	356.29	9.00	-36.64
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC2=C(Br)C=CC=C12	REAL300020004345	0	33	-1.0	-49.15	316.21	5.86	-43.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC2=C(Br)C=CC=C12	REAL300020004345	1	33	-1.0	-49.11	316.53	5.84	-43.27
COC1=CC(OC)=C(Cl)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004346	0	38	-1.0	-49.40	337.25	4.04	-45.36
COC1=CC(OC)=C(Cl)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004346	1	38	-1.0	-49.41	337.29	4.05	-45.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300020004347	0	35	-1.0	-46.48	304.44	3.94	-42.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300020004347	1	35	-1.0	-46.51	304.47	3.93	-42.58
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020004348	0	40	-1.0	-49.54	361.58	8.11	-41.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020004348	1	40	-1.0	-49.57	361.61	8.10	-41.47
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2=C1N=CS2	REAL300020004349	0	36	-1.0	-45.79	314.02	4.90	-40.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2=C1N=CS2	REAL300020004349	1	36	-1.0	-45.78	314.06	4.90	-40.88
CC1(C)CCC(F)(F)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004350	0	42	-1.0	-43.70	328.33	6.07	-37.63
CC1(C)CCC(F)(F)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004350	1	42	-1.0	-43.65	328.39	6.06	-37.59
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C([N+](=O)[O-])=C1	REAL300020004351	0	35	-1.0	-57.03	312.20	7.13	-49.90
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C([N+](=O)[O-])=C1	REAL300020004351	1	35	-1.0	-57.06	312.24	7.13	-49.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300020004352	0	42	-1.0	-46.19	366.60	7.60	-38.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300020004352	1	42	-1.0	-46.21	366.56	7.61	-38.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300020004353	0	40	-1.0	-49.17	355.04	7.71	-41.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300020004353	1	40	-1.0	-49.17	355.08	7.72	-41.45
CC1=CC(C)=NC(N2CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC2)=N1	REAL300020004354	0	49	-1.0	-50.78	397.97	6.88	-43.90
CC1=CC(C)=NC(N2CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)=N1	REAL300020004354	1	49	-1.0	-50.82	398.01	6.88	-43.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C(F)(F)F)S1	REAL300020004355	0	29	-1.0	-43.19	294.73	3.23	-39.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(C(F)(F)F)S1	REAL300020004355	1	29	-1.0	-43.18	294.69	3.23	-39.95
COC1=CC=C2NN=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=C1	REAL300020004356	0	37	-1.0	-51.11	324.83	2.85	-48.26
COC1=CC=C2NN=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=C1	REAL300020004356	1	37	-1.0	-51.08	324.87	2.85	-48.23
COC1=CC=C2NC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C(C)C2=C1	REAL300020004357	0	41	-1.0	-47.29	347.42	4.81	-42.48
COC1=CC=C2NC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C(C)C2=C1	REAL300020004357	1	41	-1.0	-47.31	347.46	4.81	-42.50
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)C1=CSC=C1Br	REAL300020004358	0	29	-1.0	-41.31	295.71	4.33	-36.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)C1=CSC=C1Br	REAL300020004358	1	29	-1.0	-41.30	295.75	4.31	-36.99
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004359	0	39	-1.0	-46.43	341.24	7.01	-39.42
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004359	1	39	-1.0	-46.48	341.29	7.00	-39.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300020004360	0	40	-1.0	-49.60	345.85	4.45	-45.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300020004360	1	40	-1.0	-49.62	345.89	4.44	-45.18
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(Br)=C1Cl	REAL300020004361	0	27	-1.0	-48.33	291.95	5.06	-43.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(Br)=C1Cl	REAL300020004361	1	27	-1.0	-48.33	292.27	5.04	-43.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=CC=CN2N=N1	REAL300020004362	0	32	-1.0	-50.05	290.19	3.26	-46.79
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=CC=CN2N=N1	REAL300020004362	1	32	-1.0	-50.06	290.14	3.26	-46.80
CC1CCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1C	REAL300020004363	0	45	-1.0	-45.92	341.96	6.70	-39.22
CC1CCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1C	REAL300020004363	1	45	-1.0	-45.91	342.00	6.69	-39.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300020004364	0	43	-1.0	-45.77	333.98	5.89	-39.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300020004364	1	43	-1.0	-45.74	333.73	5.89	-39.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CC2CCC1C2	REAL300020004365	0	40	-1.0	-43.35	323.54	6.18	-37.17
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC2CCC1C2	REAL300020004365	1	40	-1.0	-43.34	323.58	6.17	-37.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1CC(F)(F)F	REAL300020004366	0	36	-1.0	-47.37	316.97	6.64	-40.73
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1CC(F)(F)F	REAL300020004366	1	36	-1.0	-47.35	317.01	6.64	-40.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CC2=NC=CC=C21	REAL300020004367	0	34	-1.0	-45.02	299.49	3.54	-41.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CC2=NC=CC=C21	REAL300020004367	1	34	-1.0	-45.00	299.44	3.54	-41.46
CCN(CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)OC(C)(C)C	REAL300020004368	0	49	-1.0	-49.09	395.31	5.85	-43.24
CCN(CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)OC(C)(C)C	REAL300020004368	1	49	-1.0	-49.00	395.36	5.84	-43.16
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC2CC21	REAL300020004369	0	54	-1.0	-50.85	418.16	5.66	-45.19
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC2CC21	REAL300020004369	1	54	-1.0	-50.86	418.12	5.67	-45.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)CCN1C=CN=N1	REAL300020004370	0	35	-1.0	-50.03	319.24	3.25	-46.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)CCN1C=CN=N1	REAL300020004370	1	35	-1.0	-50.02	319.19	3.26	-46.76
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004371	0	36	-1.0	-41.76	320.84	6.15	-35.61
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004371	1	36	-1.0	-41.78	320.88	6.15	-35.63
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)CCN1C=CC=N1	REAL300020004372	0	36	-1.0	-46.18	325.43	4.47	-41.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)CCN1C=CC=N1	REAL300020004372	1	36	-1.0	-46.20	325.39	4.48	-41.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(CN2CCOCC2)C=CO1	REAL300020004373	0	43	-1.0	-46.07	358.74	2.30	-43.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(CN2CCOCC2)C=CO1	REAL300020004373	1	43	-1.0	-46.09	358.78	2.31	-43.78
COC1=CC(F)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Br	REAL300020004374	0	34	-1.0	-47.36	320.85	4.95	-42.41
COC1=CC(F)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Br	REAL300020004374	1	34	-1.0	-47.27	320.89	4.95	-42.32
CC(C)C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300020004375	0	39	-1.0	-51.38	329.57	6.86	-44.52
CC(C)C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300020004375	1	39	-1.0	-51.44	329.61	6.85	-44.59
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004376	0	39	-1.0	-48.92	331.23	6.89	-42.03
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004376	1	39	-1.0	-48.88	331.27	6.89	-41.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020004377	0	36	-1.0	-51.67	315.93	7.24	-44.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020004377	1	36	-1.0	-51.69	316.27	7.22	-44.47
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C([N+](=O)[O-])=C1	REAL300020004378	0	44	-1.0	-54.11	368.99	8.46	-45.65
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C([N+](=O)[O-])=C1	REAL300020004378	1	44	-1.0	-54.13	369.05	8.46	-45.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300020004379	0	52	-1.0	-45.24	399.59	10.07	-35.17
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300020004379	1	52	-1.0	-45.25	399.61	10.06	-35.19
CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC2=CC=CC=C21	REAL300020004380	0	46	-1.0	-45.10	354.27	8.20	-36.90
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC2=CC=CC=C21	REAL300020004380	1	46	-1.0	-45.09	354.31	8.21	-36.88
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)CF)C=C1	REAL300020004381	0	36	-1.0	-47.93	326.23	6.58	-41.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)CF)C=C1	REAL300020004381	1	36	-1.0	-47.95	326.27	6.58	-41.37
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020004382	0	43	-1.0	-45.90	371.65	6.62	-39.28
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020004382	1	43	-1.0	-45.83	371.97	6.59	-39.24
COC(=O)C1=CSC2=C1NC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300020004383	0	37	-1.0	-47.74	346.51	4.55	-43.19
COC(=O)C1=CSC2=C1NC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300020004383	1	37	-1.0	-47.73	346.56	4.56	-43.17
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N2)S1	REAL300020004384	0	37	-1.0	-46.93	346.73	4.70	-42.23
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N2)S1	REAL300020004384	1	37	-1.0	-46.90	346.77	4.69	-42.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C1=CN=CC=N1	REAL300020004385	0	31	-1.0	-45.18	289.48	2.67	-42.51
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C1=CN=CC=N1	REAL300020004385	1	31	-1.0	-45.20	289.44	2.68	-42.52
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CON=C1C1=CC=CC=C1	REAL300020004386	0	36	-1.0	-50.33	318.92	5.89	-44.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CON=C1C1=CC=CC=C1	REAL300020004386	1	36	-1.0	-50.33	318.88	5.90	-44.43
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004387	0	53	-1.0	-48.18	417.73	4.94	-43.24
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004387	1	53	-1.0	-48.16	417.76	4.94	-43.22
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004388	0	46	-1.0	-49.89	385.39	3.15	-46.74
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004388	1	46	-1.0	-49.95	385.43	3.14	-46.81
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004389	0	44	-1.0	-47.17	364.83	8.42	-38.75
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004389	1	44	-1.0	-47.17	364.88	8.42	-38.75
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004390	0	44	-1.0	-47.26	364.80	8.44	-38.82
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004390	1	44	-1.0	-47.28	364.86	8.43	-38.85
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004391	0	44	-1.0	-51.75	386.43	6.51	-45.24
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004391	1	44	-1.0	-51.76	386.48	6.50	-45.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(C2=CC=C3OCCOC3=C2)=C1	REAL300020004392	0	43	-1.0	-47.70	372.18	4.02	-43.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(C2=CC=C3OCCOC3=C2)=C1	REAL300020004392	1	43	-1.0	-47.73	372.14	4.03	-43.70
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004393	0	33	-1.0	-48.54	298.50	4.09	-44.45
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004393	1	33	-1.0	-48.53	298.54	4.09	-44.44
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004394	0	39	-1.0	-48.13	341.99	6.95	-41.18
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004394	1	39	-1.0	-48.11	342.03	6.94	-41.17
CN1C(=O)N(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1C1CC1	REAL300020004395	0	40	-1.0	-56.83	351.73	5.36	-51.47
CN1C(=O)N(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1C1CC1	REAL300020004395	1	40	-1.0	-56.79	351.77	5.35	-51.44
CCN1C(C)=NN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020004396	0	39	-1.0	-58.33	341.91	4.79	-53.54
CCN1C(C)=NN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020004396	1	39	-1.0	-58.33	341.95	4.79	-53.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300020004397	0	44	-1.0	-44.74	368.42	8.92	-35.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300020004397	1	44	-1.0	-44.72	368.46	8.91	-35.81
CC1=CC(Cl)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Br	REAL300020004398	0	33	-1.0	-45.09	318.18	6.61	-38.48
CC1=CC(Cl)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Br	REAL300020004398	1	33	-1.0	-45.08	318.50	6.58	-38.50
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020004399	0	38	-1.0	-47.94	327.98	2.47	-45.47
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020004399	1	38	-1.0	-47.93	327.93	2.47	-45.46
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C1	REAL300020004400	0	35	-1.0	-46.76	307.04	6.65	-40.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C1	REAL300020004400	1	35	-1.0	-46.75	307.08	6.65	-40.10
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(F)=C1	REAL300020004401	0	39	-1.0	-50.41	334.54	6.60	-43.81
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(F)=C1	REAL300020004401	1	39	-1.0	-50.43	334.40	6.60	-43.83
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004402	0	43	-1.0	-48.22	363.09	7.45	-40.77
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004402	1	43	-1.0	-48.20	363.13	7.44	-40.76
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004403	0	41	-1.0	-46.97	353.55	5.54	-41.43
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004403	1	41	-1.0	-47.05	353.50	5.55	-41.50
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CC=CC=C2F)=NO1	REAL300020004404	0	39	-1.0	-47.07	347.64	6.55	-40.52
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CC=CC=C2F)=NO1	REAL300020004404	1	39	-1.0	-47.04	347.62	6.55	-40.49
COCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CCC1	REAL300020004405	0	41	-1.0	-48.93	332.72	4.51	-44.42
COCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CCC1	REAL300020004405	1	41	-1.0	-48.92	332.76	4.50	-44.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOCC12CCCCC2	REAL300020004406	0	47	-1.0	-47.39	349.21	5.41	-41.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOCC12CCCCC2	REAL300020004406	1	47	-1.0	-47.22	349.44	5.44	-41.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CC2CCC1CC2	REAL300020004407	0	43	-1.0	-42.80	334.58	6.80	-36.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC2CCC1CC2	REAL300020004407	1	43	-1.0	-42.22	334.37	6.80	-35.42
CC(F)(F)C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020004408	0	39	-1.0	-47.72	332.35	6.95	-40.77
CC(F)(F)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020004408	1	39	-1.0	-47.74	332.39	6.94	-40.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CCOC1	REAL300020004409	0	41	-1.0	-45.19	334.32	5.40	-39.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CCOC1	REAL300020004409	1	41	-1.0	-45.16	334.36	5.39	-39.77
CC1=CC=C(C2CCCCC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020004410	0	49	-1.0	-47.63	378.61	8.88	-38.75
CC1=CC=C(C2CCCCC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004410	1	49	-1.0	-47.67	378.66	8.87	-38.80
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004411	0	55	-1.0	-47.27	436.40	9.11	-38.16
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004411	1	55	-1.0	-47.31	436.44	9.11	-38.20
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004412	0	44	-1.0	-58.34	377.18	6.57	-51.77
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004412	1	44	-1.0	-58.34	377.23	6.56	-51.78
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004413	0	42	-1.0	-57.91	372.26	7.93	-49.98
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004413	1	42	-1.0	-57.91	372.31	7.92	-49.99
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004414	0	50	-1.0	-46.82	399.74	2.25	-44.57
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004414	1	50	-1.0	-46.57	399.52	2.26	-44.31
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020004415	0	53	-1.0	-48.88	417.86	6.19	-42.69
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020004415	1	53	-1.0	-48.91	417.90	6.19	-42.72
CCC(C)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)N1	REAL300020004416	0	42	-1.0	-49.77	347.81	4.78	-44.99
CCC(C)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)N1	REAL300020004416	1	42	-1.0	-49.76	347.85	4.77	-44.99
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004417	0	52	-1.0	-49.11	414.09	9.04	-40.07
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004417	1	52	-1.0	-49.07	414.13	9.04	-40.03
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004418	0	40	-1.0	-48.91	353.11	7.21	-41.70
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004418	1	40	-1.0	-48.87	353.16	7.20	-41.67
CC1=CC=C(OC(C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1	REAL300020004419	0	43	-1.0	-49.62	359.33	7.38	-42.24
CC1=CC=C(OC(C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1	REAL300020004419	1	43	-1.0	-49.57	359.37	7.38	-42.19
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004420	0	43	-1.0	-52.83	363.23	1.18	-51.65
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004420	1	43	-1.0	-52.83	363.27	1.17	-51.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300020004421	0	36	-1.0	-48.07	324.73	7.66	-40.41
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300020004421	1	36	-1.0	-48.08	324.78	7.66	-40.42
O=C(CC1CCC2=CC(Br)=CC=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004422	0	40	-1.0	-45.61	353.15	7.98	-37.63
O=C(CC1CCC2=CC(Br)=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004422	1	40	-1.0	-45.64	353.19	7.97	-37.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300020004423	0	39	-1.0	-47.05	342.05	6.60	-40.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300020004423	1	39	-1.0	-47.02	342.01	6.60	-40.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)SC2=C1SN=N2	REAL300020004424	0	28	-1.0	-44.04	302.74	3.23	-40.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)SC2=C1SN=N2	REAL300020004424	1	28	-1.0	-44.06	302.69	3.23	-40.83
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004425	0	53	-1.0	-53.12	420.58	6.31	-46.81
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004425	1	53	-1.0	-53.65	420.92	6.30	-47.35
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004426	0	53	-1.0	-52.56	421.03	6.30	-46.26
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004426	1	53	-1.0	-52.55	421.07	6.29	-46.26
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300020004427	0	37	-1.0	-49.27	337.60	3.71	-45.56
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300020004427	1	37	-1.0	-49.35	337.92	3.69	-45.66
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300020004427	1	36	-2.0	-90.02	335.65	3.23	-86.79
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300020004427	1	36	-2.0	-90.01	335.60	3.23	-86.78
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)NC2=C1	REAL300020004428	0	43	-1.0	-47.16	375.64	6.11	-41.05
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)NC2=C1	REAL300020004428	1	43	-1.0	-47.22	375.67	6.10	-41.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300020004429	0	41	-1.0	-49.59	356.60	7.17	-42.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300020004429	1	41	-1.0	-49.65	356.92	7.16	-42.49
COC(=O)C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300020004430	0	39	-1.0	-51.29	331.26	6.11	-45.18
COC(=O)C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300020004430	1	39	-1.0	-51.31	331.31	6.10	-45.21
C=CCCC(CC(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004431	0	45	-1.0	-45.07	355.07	7.07	-38.00
C=CCCC(CC(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004431	1	45	-1.0	-45.07	355.05	7.06	-38.01
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL300020004432	0	51	-1.0	-46.15	406.57	3.22	-42.93
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL300020004432	1	51	-1.0	-46.13	406.61	3.21	-42.92
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL300020004433	0	48	-1.0	-48.56	385.76	4.31	-44.25
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL300020004433	1	48	-1.0	-48.54	385.82	4.30	-44.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300020004434	0	43	-1.0	-54.53	371.72	7.46	-47.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300020004434	1	43	-1.0	-54.53	371.76	7.46	-47.07
CC(C)(C)C1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL300020004435	0	40	-1.0	-41.18	330.94	4.01	-37.17
CC(C)(C)C1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL300020004435	1	40	-1.0	-41.16	330.98	4.00	-37.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=CSC=C2)C=C1	REAL300020004436	0	37	-1.0	-46.82	331.49	7.32	-39.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=CSC=C2)C=C1	REAL300020004436	1	37	-1.0	-46.81	331.53	7.33	-39.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2CCOC(=O)C2=C1	REAL300020004437	0	37	-1.0	-58.27	322.02	5.86	-52.41
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2CCOC(=O)C2=C1	REAL300020004437	1	37	-1.0	-58.24	322.06	5.85	-52.39
CC(C)COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL300020004438	0	45	-1.0	-47.91	365.85	6.39	-41.52
CC(C)COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL300020004438	1	45	-1.0	-47.96	365.91	6.39	-41.57
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004439	0	55	-1.0	-48.62	428.85	4.68	-43.94
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004439	1	55	-1.0	-48.67	428.88	4.67	-44.00
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2=CC(Br)=CN=C2C1	REAL300020004440	0	36	-1.0	-46.43	329.56	5.46	-40.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2=CC(Br)=CN=C2C1	REAL300020004440	1	36	-1.0	-46.42	329.59	5.46	-40.96
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CC(F)(F)F)C=N1	REAL300020004441	0	33	-1.0	-50.14	312.76	5.42	-44.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CC(F)(F)F)C=N1	REAL300020004441	1	33	-1.0	-50.11	312.72	5.43	-44.68
O=C(CCCCC1CSSC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004442	0	41	-1.0	-50.01	358.98	8.06	-41.95
O=C(CCCCC1CSSC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004442	1	41	-1.0	-50.06	359.02	8.05	-42.01
CNC(=O)N1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004443	0	42	-1.0	-55.61	341.33	2.89	-52.72
CNC(=O)N1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004443	1	42	-1.0	-55.62	341.36	2.88	-52.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300020004444	0	35	-1.0	-45.00	317.47	5.81	-39.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300020004444	1	35	-1.0	-45.02	317.44	5.82	-39.20
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL300020004445	0	53	-1.0	-45.09	410.68	5.59	-39.50
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL300020004445	1	53	-1.0	-45.09	410.73	5.59	-39.50
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300020004446	0	46	-1.0	-45.92	393.50	9.73	-36.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300020004446	1	46	-1.0	-45.90	393.54	9.72	-36.18
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004447	0	46	-1.0	-48.27	389.42	8.54	-39.73
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004447	1	46	-1.0	-48.29	389.46	8.53	-39.76
CC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004448	0	38	-1.0	-54.45	326.99	6.37	-48.08
CC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004448	1	38	-1.0	-54.43	326.96	6.36	-48.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2N=CC=CN12	REAL300020004449	0	32	-1.0	-51.73	286.94	5.76	-45.97
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2N=CC=CN12	REAL300020004449	1	32	-1.0	-51.84	286.65	5.78	-46.06
O=C(CC1=CC(Br)=CS1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004450	0	30	-1.0	-47.51	302.84	5.31	-42.20
O=C(CC1=CC(Br)=CS1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004450	1	30	-1.0	-47.51	302.88	5.30	-42.21
CN1C=C(C2=CC=CC=C2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020004451	0	40	-1.0	-52.74	342.30	6.18	-46.56
CN1C=C(C2=CC=CC=C2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020004451	1	40	-1.0	-52.78	342.26	6.18	-46.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CCC2)ON=C1	REAL300020004452	0	36	-1.0	-44.13	311.18	5.25	-38.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CCC2)ON=C1	REAL300020004452	1	36	-1.0	-44.15	311.23	5.24	-38.91
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CN=C2C=C1	REAL300020004453	0	38	-1.0	-46.77	329.04	5.54	-41.23
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CN=C2C=C1	REAL300020004453	1	38	-1.0	-46.77	329.01	5.54	-41.23
COC1(C2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)COC1	REAL300020004454	0	42	-1.0	-50.80	346.74	4.21	-46.59
COC1(C2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)COC1	REAL300020004454	1	42	-1.0	-50.83	346.78	4.20	-46.63
COCCN1C=CC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C21	REAL300020004455	0	44	-1.0	-50.47	373.58	6.59	-43.88
COCCN1C=CC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C21	REAL300020004455	1	44	-1.0	-50.44	373.62	6.59	-43.85
CC(C)N1C=CC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C21	REAL300020004456	0	43	-1.0	-50.75	357.68	8.02	-42.73
CC(C)N1C=CC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C21	REAL300020004456	1	43	-1.0	-50.79	358.00	8.01	-42.78
C[C@@H](C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1	REAL300020004457	0	36	-1.0	-47.90	313.71	6.19	-41.71
C[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1	REAL300020004457	1	36	-1.0	-47.95	313.75	6.18	-41.77
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@@H](C2=CC=CC=C2)C1	REAL300020004458	0	40	-1.0	-47.69	334.80	7.37	-40.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@@H](C2=CC=CC=C2)C1	REAL300020004458	1	40	-1.0	-47.73	334.84	7.36	-40.37
CCC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC(F)(F)F	REAL300020004459	0	38	-1.0	-49.61	316.04	5.42	-44.19
CCC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC(F)(F)F	REAL300020004459	1	38	-1.0	-49.61	316.08	5.42	-44.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300020004460	0	46	-1.0	-44.86	393.30	9.74	-35.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300020004460	1	46	-1.0	-45.20	393.62	9.72	-35.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300020004461	0	36	-1.0	-44.45	337.80	6.18	-38.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300020004461	1	36	-1.0	-44.48	337.76	6.19	-38.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300020004462	0	36	-1.0	-44.06	348.12	6.63	-37.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300020004462	1	36	-1.0	-44.08	348.08	6.64	-37.44
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300020004463	0	36	-1.0	-44.86	348.14	6.63	-38.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300020004463	1	36	-1.0	-44.83	347.79	6.65	-38.18
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC(F)=CC(F)=C21	REAL300020004464	0	37	-1.0	-45.13	328.64	5.59	-39.54
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC(F)=CC(F)=C21	REAL300020004464	1	37	-1.0	-45.10	328.68	5.58	-39.52
CN(C)C1=CC=C(Br)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004465	0	38	-1.0	-47.28	335.25	5.95	-41.33
CN(C)C1=CC=C(Br)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004465	1	38	-1.0	-47.30	335.29	5.95	-41.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020004466	0	40	-1.0	-53.57	347.72	3.43	-50.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020004466	1	40	-1.0	-53.57	347.77	3.44	-50.13
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN2CC(F)CC2=C1	REAL300020004467	0	34	-1.0	-50.52	302.44	3.61	-46.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN2CC(F)CC2=C1	REAL300020004467	1	34	-1.0	-50.55	302.49	3.60	-46.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCN(CCC1)S2(=O)=O	REAL300020004468	0	39	-1.0	-55.38	324.37	1.12	-54.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCN(CCC1)S2(=O)=O	REAL300020004468	1	39	-1.0	-55.35	324.42	1.12	-54.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300020004469	0	39	-1.0	-54.96	345.63	4.59	-50.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300020004469	1	39	-1.0	-55.02	345.59	4.59	-50.43
CC1=CC=CC(C2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC2(F)F)=C1	REAL300020004470	0	40	-1.0	-47.37	351.02	7.67	-39.70
CC1=CC=CC(C2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2(F)F)=C1	REAL300020004470	1	40	-1.0	-47.33	351.07	7.66	-39.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CC2)ON=C1Br	REAL300020004471	0	33	-1.0	-43.94	321.30	5.20	-38.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CC2)ON=C1Br	REAL300020004471	1	33	-1.0	-43.91	321.34	5.18	-38.73
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2C=CC1C2	REAL300020004472	0	36	-1.0	-45.22	307.28	5.31	-39.91
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2C=CC1C2	REAL300020004472	1	36	-1.0	-45.23	307.32	5.30	-39.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(N1)C(Br)=CO2	REAL300020004473	0	31	-1.0	-45.90	302.11	3.56	-42.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(N1)C(Br)=CO2	REAL300020004473	1	31	-1.0	-45.91	302.43	3.53	-42.38
CC1=CC2=C(C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N2)O1	REAL300020004474	0	34	-1.0	-47.91	302.61	3.73	-44.18
CC1=CC2=C(C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N2)O1	REAL300020004474	1	34	-1.0	-47.86	302.65	3.73	-44.13
CC(C)C1=CNC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=NC2=C1	REAL300020004475	0	42	-1.0	-57.58	356.41	4.94	-52.64
CC(C)C1=CNC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=NC2=C1	REAL300020004475	1	42	-1.0	-57.64	356.45	4.93	-52.71
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CC2=CC=CC=C21	REAL300020004476	0	39	-1.0	-46.34	324.15	7.76	-38.58
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CC2=CC=CC=C21	REAL300020004476	1	39	-1.0	-46.30	324.19	7.75	-38.55
COC1=CC=CC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020004477	0	39	-1.0	-47.00	338.91	3.13	-43.87
COC1=CC=CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020004477	1	39	-1.0	-46.97	338.97	3.12	-43.85
CN1N=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=C1CCOC2	REAL300020004478	0	38	-1.0	-49.03	323.68	2.66	-46.37
CN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=C1CCOC2	REAL300020004478	1	38	-1.0	-49.04	323.73	2.66	-46.38
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004479	0	39	-1.0	-47.18	328.72	6.79	-40.39
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004479	1	39	-1.0	-47.19	328.77	6.78	-40.41
COC1=CC(C)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020004480	0	36	-1.0	-44.90	309.43	2.34	-42.56
COC1=CC(C)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020004480	1	36	-1.0	-44.95	309.47	2.34	-42.61
CC1=CC=C(C2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CCC(=O)CC2)C=C1	REAL300020004481	0	48	-1.0	-48.50	382.85	7.91	-40.59
CC1=CC=C(C2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CCC(=O)CC2)C=C1	REAL300020004481	1	48	-1.0	-48.52	382.88	7.90	-40.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCOCC2)CC1(F)F	REAL300020004482	0	41	-1.0	-46.63	336.43	5.04	-41.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCOCC2)CC1(F)F	REAL300020004482	1	41	-1.0	-46.59	336.49	5.03	-41.56
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300020004483	0	38	-1.0	-52.20	342.23	4.08	-48.12
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300020004483	1	38	-1.0	-52.18	342.19	4.07	-48.11
CN1C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC2=C1C=CS2	REAL300020004484	0	34	-1.0	-45.51	308.62	5.51	-40.00
CN1C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC2=C1C=CS2	REAL300020004484	1	34	-1.0	-45.51	308.66	5.51	-40.00
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1CC(F)F	REAL300020004485	0	36	-1.0	-48.53	321.75	4.27	-44.26
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1CC(F)F	REAL300020004485	1	36	-1.0	-48.52	321.78	4.27	-44.25
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C1CCC1	REAL300020004486	0	40	-1.0	-46.67	334.87	5.36	-41.31
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C1CCC1	REAL300020004486	1	40	-1.0	-46.70	334.92	5.36	-41.34
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2CCCCC2=CN1	REAL300020004487	0	38	-1.0	-47.98	314.37	5.17	-42.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2CCCCC2=CN1	REAL300020004487	1	38	-1.0	-48.03	314.42	5.17	-42.86
CC1=NN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1C	REAL300020004488	0	39	-1.0	-52.65	332.66	4.60	-48.05
CC1=NN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1C	REAL300020004488	1	39	-1.0	-52.63	332.71	4.59	-48.04
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020004489	0	47	-1.0	-46.30	390.60	3.07	-43.23
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020004489	1	47	-1.0	-46.31	390.63	3.06	-43.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300020004490	0	33	-1.0	-51.82	312.89	6.14	-45.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300020004490	1	33	-1.0	-51.85	312.94	6.13	-45.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020004491	0	37	-1.0	-47.86	341.11	7.35	-40.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020004491	1	37	-1.0	-47.89	341.16	7.34	-40.55
CC(=O)C1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300020004492	0	31	-1.0	-49.80	298.59	2.48	-47.32
CC(=O)C1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300020004492	1	31	-1.0	-49.75	298.64	2.47	-47.28
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004493	0	34	-1.0	-47.41	326.64	0.99	-46.42
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004493	1	34	-1.0	-47.46	326.59	1.00	-46.46
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300020004494	0	37	-1.0	-52.91	327.07	3.89	-49.02
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300020004494	1	37	-1.0	-59.30	327.12	3.89	-55.41
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004495	0	33	-1.0	-50.65	312.77	4.78	-45.87
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004495	1	33	-1.0	-50.62	312.81	4.77	-45.85
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)CC1	REAL300020004496	0	43	-1.0	-66.25	367.36	4.19	-62.06
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)CC1	REAL300020004496	1	43	-1.0	-66.29	367.40	4.18	-62.11
CC1=C2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)SC2=C(C)S1	REAL300020004497	0	36	-1.0	-44.96	340.35	6.86	-38.10
CC1=C2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)SC2=C(C)S1	REAL300020004497	1	36	-1.0	-44.99	340.39	6.86	-38.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2N=CC=C2C=C1	REAL300020004498	0	33	-1.0	-50.04	293.67	4.67	-45.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2N=CC=C2C=C1	REAL300020004498	1	33	-1.0	-50.08	293.63	4.67	-45.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2=NN=CN21	REAL300020004499	0	36	-1.0	-51.48	301.05	5.74	-45.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2=NN=CN21	REAL300020004499	1	36	-1.0	-51.43	301.09	5.73	-45.70
CC1(C)CCCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020004500	0	43	-1.0	-48.78	339.98	5.58	-43.20
CC1(C)CCCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020004500	1	43	-1.0	-48.75	340.02	5.57	-43.18
COC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1	REAL300020004501	0	36	-1.0	-52.00	318.41	3.84	-48.16
COC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1	REAL300020004501	1	36	-1.0	-52.04	318.37	3.85	-48.19
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004502	0	54	-1.0	-53.97	423.29	6.98	-46.99
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004502	1	54	-1.0	-53.28	423.07	6.99	-46.29
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004503	0	53	-1.0	-50.75	417.55	4.83	-45.92
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004503	1	53	-1.0	-50.73	417.58	4.82	-45.91
CCN1C(=O)CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004504	0	37	-1.0	-53.43	313.27	3.55	-49.88
CCN1C(=O)CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004504	1	37	-1.0	-53.45	313.32	3.56	-49.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300020004505	0	33	-1.0	-48.43	333.74	7.35	-41.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300020004505	1	33	-1.0	-48.39	333.78	7.35	-41.04
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020004506	0	42	-1.0	-47.40	340.38	1.62	-45.78
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020004506	1	42	-1.0	-47.41	340.42	1.61	-45.80
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004507	0	37	-1.0	-52.96	330.80	7.13	-45.83
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004507	1	37	-1.0	-52.96	330.84	7.12	-45.84
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300020004508	0	44	-1.0	-51.19	368.97	6.74	-44.45
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300020004508	1	44	-1.0	-51.13	369.27	6.72	-44.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300020004509	0	38	-1.0	-52.82	331.94	5.76	-47.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300020004509	1	38	-1.0	-52.77	332.24	5.73	-47.04
COC1=CC2=NC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2C=C1	REAL300020004510	0	39	-1.0	-48.60	331.82	4.60	-44.00
COC1=CC2=NC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2C=C1	REAL300020004510	1	39	-1.0	-48.63	331.77	4.60	-44.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC2=C1CCC2	REAL300020004511	0	36	-1.0	-46.47	304.37	4.96	-41.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC2=C1CCC2	REAL300020004511	1	36	-1.0	-46.49	304.42	4.97	-41.52
CCSC1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004512	0	43	-1.0	-45.67	355.05	7.06	-38.61
CCSC1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004512	1	43	-1.0	-45.57	354.84	7.07	-38.50
CC1=CC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=N1	REAL300020004513	0	41	-1.0	-47.60	350.62	5.83	-41.77
CC1=CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=N1	REAL300020004513	1	41	-1.0	-47.57	350.67	5.82	-41.75
CC1=CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300020004514	0	39	-1.0	-47.07	333.65	7.84	-39.23
CC1=CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300020004514	1	39	-1.0	-47.03	333.69	7.83	-39.20
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004515	0	53	-1.0	-52.57	420.97	6.31	-46.26
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004515	1	53	-1.0	-53.30	420.74	6.31	-46.99
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004516	0	36	-1.0	-53.19	317.18	3.17	-50.02
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004516	1	36	-1.0	-53.20	317.22	3.16	-50.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(Cl)=C1Cl	REAL300020004517	0	27	-1.0	-48.65	287.55	4.96	-43.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(Cl)=C1Cl	REAL300020004517	1	27	-1.0	-48.60	287.87	4.94	-43.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300020004518	0	42	-1.0	-54.94	358.82	4.33	-50.61
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300020004518	1	42	-1.0	-54.89	358.86	4.34	-50.55
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004519	0	40	-1.0	-49.09	334.66	5.24	-43.85
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004519	1	40	-1.0	-49.05	334.70	5.23	-43.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300020004520	0	37	-1.0	-48.30	333.94	6.11	-42.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300020004520	1	37	-1.0	-48.32	333.90	6.12	-42.20
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004521	0	40	-1.0	-58.82	364.06	4.54	-54.28
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004521	1	40	-1.0	-58.87	364.10	4.53	-54.34
CCC1=C(C)SC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004522	0	36	-1.0	-45.65	314.59	5.97	-39.68
CCC1=C(C)SC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004522	1	36	-1.0	-45.70	314.91	5.95	-39.75
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CS(=O)(=O)C1=COC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004524	0	33	-1.0	-53.65	313.76	0.36	-53.29
CS(=O)(=O)C1=COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004524	1	33	-1.0	-53.69	313.80	0.36	-53.33
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O=C(CC1=CC=C2COCCC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004525	1	41	-1.0	-49.98	344.90	5.65	-44.33
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CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Br	REAL300020004528	1	32	-1.0	-42.54	303.49	4.29	-38.25
COC1=CC(Br)=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004529	0	33	-1.0	-45.63	312.59	4.23	-41.40
COC1=CC(Br)=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004529	1	33	-1.0	-45.60	312.55	4.24	-41.36
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CCC1=CC=C(N2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N=N2)C=C1	REAL300020004533	0	42	-1.0	-44.79	366.73	6.03	-38.76
CCC1=CC=C(N2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N=N2)C=C1	REAL300020004533	1	42	-1.0	-44.80	366.69	6.04	-38.76
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CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004536	0	53	-1.0	-45.71	424.05	3.17	-42.54
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004536	1	53	-1.0	-45.74	424.09	3.17	-42.57
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CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN(C)C1=O	REAL300020004538	0	36	-1.0	-48.71	312.30	4.36	-44.35
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CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004540	0	51	-1.0	-46.98	401.87	9.51	-37.47
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004540	1	51	-1.0	-46.97	401.89	9.50	-37.47
O=C(CC1CC(C(F)F)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004541	0	36	-1.0	-46.18	310.73	5.50	-40.68
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CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004542	0	41	-1.0	-48.24	348.82	6.69	-41.55
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CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004546	0	53	-1.0	-57.59	413.87	6.51	-51.08
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004546	1	53	-1.0	-57.63	413.91	6.50	-51.13
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300020004547	0	45	-1.0	-54.28	365.00	7.32	-46.96
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300020004547	1	45	-1.0	-54.26	365.04	7.31	-46.95
CC1=CC(Cl)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300020004548	0	30	-1.0	-46.21	294.19	5.20	-41.01
CC1=CC(Cl)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300020004548	1	30	-1.0	-46.20	294.23	5.20	-41.00
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O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004550	0	46	-1.0	-49.49	375.14	4.41	-45.08
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300020004551	1	43	-1.0	-50.46	363.59	6.07	-44.39
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004552	0	55	-1.0	-45.13	411.59	6.41	-38.72
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004552	1	55	-1.0	-45.16	411.62	6.39	-38.77
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004553	0	53	-1.0	-47.99	418.20	4.95	-43.04
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004553	1	53	-1.0	-48.01	418.25	4.94	-43.07
N#CC1=CN=C(Cl)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004554	0	30	-1.0	-50.12	295.88	3.81	-46.31
N#CC1=CN=C(Cl)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004554	1	30	-1.0	-50.10	295.84	3.81	-46.29
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1C(=O)NC2	REAL300020004555	0	35	-1.0	-62.47	303.10	3.77	-58.70
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1C(=O)NC2	REAL300020004555	1	35	-1.0	-62.44	303.14	3.76	-58.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300020004556	0	40	-1.0	-49.65	345.31	4.41	-45.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300020004556	1	40	-1.0	-49.65	345.35	4.41	-45.24
CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300020004557	0	36	-1.0	-44.06	323.09	6.74	-37.32
CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300020004557	1	36	-1.0	-44.09	323.13	6.73	-37.36
CC1=CN=C(N2CCOCC2)N=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004558	0	44	-1.0	-43.72	363.34	4.03	-39.69
CC1=CN=C(N2CCOCC2)N=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004558	1	44	-1.0	-43.75	363.29	4.04	-39.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CC2CC2)C=C1	REAL300020004559	0	40	-1.0	-45.78	341.01	7.90	-37.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CC2CC2)C=C1	REAL300020004559	1	40	-1.0	-45.81	341.05	7.89	-37.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=C2OC=CC2=C1	REAL300020004560	0	33	-1.0	-46.35	315.03	5.85	-40.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=C2OC=CC2=C1	REAL300020004560	1	33	-1.0	-46.32	315.08	5.85	-40.47
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004561	0	50	-1.0	-47.90	409.64	4.20	-43.70
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004561	1	50	-1.0	-47.92	409.68	4.20	-43.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C2=NC=CC=C2S1	REAL300020004562	0	32	-1.0	-50.14	313.78	4.94	-45.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C2=NC=CC=C2S1	REAL300020004562	1	32	-1.0	-50.17	313.46	4.96	-45.21
N#CC1=CC=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300020004563	0	37	-1.0	-49.19	338.83	6.79	-42.40
N#CC1=CC=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300020004563	1	37	-1.0	-49.21	338.87	6.78	-42.43
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300020004564	1	36	-1.0	-51.13	321.80	2.22	-48.91
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2CCCCC2=C1	REAL300020004565	0	39	-1.0	-45.48	324.22	5.58	-39.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2CCCCC2=C1	REAL300020004565	1	39	-1.0	-45.49	324.26	5.58	-39.91
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004566	0	38	-1.0	-45.12	328.66	6.96	-38.16
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004566	1	38	-1.0	-45.18	328.71	6.95	-38.23
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COCCN1C=CC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300020004568	0	44	-1.0	-49.22	375.49	6.64	-42.58
COCCN1C=CC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300020004568	1	44	-1.0	-49.28	375.52	6.63	-42.65
CC(C)N1C=CC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300020004569	0	43	-1.0	-49.22	360.12	8.02	-41.20
CC(C)N1C=CC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300020004569	1	43	-1.0	-49.23	360.17	8.02	-41.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300020004570	0	35	-1.0	-50.46	326.26	5.91	-44.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300020004570	1	35	-1.0	-50.50	326.21	5.92	-44.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1CC1CC1	REAL300020004571	0	37	-1.0	-44.45	310.54	5.46	-38.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1CC1CC1	REAL300020004571	1	37	-1.0	-44.51	310.48	5.47	-39.04
CC1(C)COCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004572	0	40	-1.0	-46.87	314.92	3.78	-43.09
CC1(C)COCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004572	1	40	-1.0	-46.90	314.96	3.78	-43.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=NN=CN21	REAL300020004573	0	32	-1.0	-56.18	283.50	5.88	-50.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=NN=CN21	REAL300020004573	1	32	-1.0	-56.24	283.40	5.88	-50.36
C=CCOCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)(C)C	REAL300020004574	0	46	-1.0	-43.97	366.28	5.71	-38.26
C=CCOCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)(C)C	REAL300020004574	1	46	-1.0	-43.86	366.27	5.72	-38.14
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020004575	0	42	-1.0	-54.18	351.19	1.16	-53.02
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020004575	1	42	-1.0	-54.59	350.95	1.17	-53.42
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004576	0	33	-1.0	-47.60	292.57	3.78	-43.82
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004576	1	33	-1.0	-47.59	292.53	3.78	-43.81
CC1=NN(C2CCC2)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004577	0	40	-1.0	-44.82	333.18	5.57	-39.25
CC1=NN(C2CCC2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004577	1	40	-1.0	-44.78	333.23	5.57	-39.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1CCC(F)(F)F	REAL300020004578	0	36	-1.0	-46.11	327.85	4.64	-41.47
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1CCC(F)(F)F	REAL300020004578	1	36	-1.0	-46.09	327.81	4.64	-41.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(F)(F)CO1	REAL300020004579	0	34	-1.0	-52.11	297.47	4.05	-48.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(F)(F)CO1	REAL300020004579	1	34	-1.0	-52.21	297.23	4.05	-48.16
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004580	0	41	-1.0	-47.70	362.93	6.83	-40.87
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004580	1	41	-1.0	-47.70	362.98	6.83	-40.87
CC1(C)CCCOC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004581	0	43	-1.0	-47.74	334.84	5.23	-42.51
CC1(C)CCCOC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004581	1	43	-1.0	-47.71	334.88	5.22	-42.49
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004582	0	53	-1.0	-54.22	424.39	6.05	-48.17
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004582	1	53	-1.0	-54.20	424.43	6.04	-48.16
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004583	0	36	-1.0	-44.78	340.68	3.91	-40.87
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004583	1	36	-1.0	-44.83	340.74	3.91	-40.92
CC(=O)NC(COC(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004584	0	43	-1.0	-52.64	358.66	2.82	-49.82
CC(=O)NC(COC(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004584	1	43	-1.0	-52.67	358.70	2.81	-49.86
CC1(C)OCC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020004585	0	41	-1.0	-46.90	342.44	3.77	-43.13
CC1(C)OCC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020004585	1	41	-1.0	-46.89	342.48	3.76	-43.13
COC1=CC2=CC=C(CC(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300020004586	0	43	-1.0	-51.11	366.60	7.12	-43.99
COC1=CC2=CC=C(CC(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300020004586	1	43	-1.0	-51.15	366.64	7.12	-44.03
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004587	0	48	-1.0	-44.52	382.86	8.69	-35.83
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004587	1	48	-1.0	-44.53	382.88	8.69	-35.84
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004588	0	49	-1.0	-48.71	411.71	3.62	-45.09
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004588	1	49	-1.0	-48.72	411.75	3.61	-45.11
CC12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)OC2	REAL300020004589	0	41	-1.0	-43.78	325.32	4.40	-39.38
CC12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)OC2	REAL300020004589	1	41	-1.0	-43.74	325.37	4.39	-39.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C=COC2=C1	REAL300020004590	0	33	-1.0	-49.37	293.68	5.25	-44.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C=COC2=C1	REAL300020004590	1	33	-1.0	-49.38	293.73	5.24	-44.14
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C(Br)C(F)=C1	REAL300020004591	0	30	-1.0	-43.84	299.17	5.60	-38.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C(Br)C(F)=C1	REAL300020004591	1	30	-1.0	-43.82	299.21	5.59	-38.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300020004592	0	36	-1.0	-49.96	328.59	5.56	-44.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300020004592	1	36	-1.0	-49.81	328.35	5.56	-44.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=C(F)C2=CC=CC=C21	REAL300020004593	0	35	-1.0	-42.98	310.19	5.50	-37.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=C(F)C2=CC=CC=C21	REAL300020004593	1	35	-1.0	-42.99	310.14	5.50	-37.49
CC1=C(C)NC(=O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004594	0	36	-1.0	-51.52	307.79	3.26	-48.26
CC1=C(C)NC(=O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004594	1	36	-1.0	-51.52	307.84	3.26	-48.26
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(F)=C1	REAL300020004595	0	39	-1.0	-47.07	338.66	6.93	-40.14
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(F)=C1	REAL300020004595	1	39	-1.0	-47.06	338.71	6.92	-40.14
CC(C)(C)N1C=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020004596	0	42	-1.0	-51.80	353.94	5.37	-46.43
CC(C)(C)N1C=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020004596	1	42	-1.0	-51.83	353.90	5.38	-46.45
CC1=CC=C(C2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC2)C(F)=C1	REAL300020004597	0	40	-1.0	-48.26	345.79	7.50	-40.76
CC1=CC=C(C2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)C(F)=C1	REAL300020004597	1	40	-1.0	-48.32	345.84	7.50	-40.82
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020004598	0	30	-2.0	-90.91	294.34	4.91	-86.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020004598	1	30	-2.0	-90.94	294.38	4.92	-86.02
CCCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=NN1CC	REAL300020004599	0	41	-1.0	-45.31	348.94	4.10	-41.21
CCCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=NN1CC	REAL300020004599	1	41	-1.0	-45.34	348.98	4.09	-41.25
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004600	0	39	-1.0	-48.77	346.96	7.08	-41.69
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004600	1	39	-1.0	-48.75	347.00	7.07	-41.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300020004601	0	40	-1.0	-53.63	344.18	5.94	-47.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300020004601	1	40	-1.0	-53.67	344.14	5.94	-47.73
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004602	0	42	-1.0	-50.27	364.43	3.31	-46.96
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004602	1	42	-1.0	-50.36	364.47	3.30	-47.06
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300020004603	0	43	-1.0	-53.86	378.12	7.52	-46.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300020004603	1	43	-1.0	-53.91	378.16	7.52	-46.39
CC1=NNC2=C1CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300020004604	0	40	-1.0	-50.35	331.37	4.22	-46.13
CC1=NNC2=C1CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300020004604	1	40	-1.0	-50.37	331.41	4.21	-46.16
CC1=C2CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CCC2=NN1	REAL300020004604	1	40	-1.0	-48.36	330.30	4.22	-44.14
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004605	0	41	-1.0	-52.45	350.97	4.76	-47.69
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004605	1	41	-1.0	-52.50	351.01	4.75	-47.75
CSC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300020004606	0	36	-1.0	-47.86	330.26	6.45	-41.41
CSC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300020004606	1	36	-1.0	-47.83	330.30	6.44	-41.39
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004607	0	40	-1.0	-52.96	342.31	6.58	-46.38
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004607	1	40	-1.0	-52.99	342.35	6.57	-46.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300020004608	0	40	-1.0	-50.89	352.11	5.98	-44.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300020004608	1	40	-1.0	-50.86	352.15	5.98	-44.88
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004609	0	44	-1.0	-56.33	370.17	3.70	-52.63
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004609	1	44	-1.0	-56.38	369.97	3.70	-52.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2N=NC=C2C=C1	REAL300020004610	0	32	-1.0	-53.27	288.35	3.38	-49.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2N=NC=C2C=C1	REAL300020004610	1	32	-1.0	-53.27	288.30	3.38	-49.89
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@H](C)O1	REAL300020004611	0	41	-1.0	-46.56	344.30	2.85	-43.71
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@H](C)O1	REAL300020004611	1	41	-1.0	-46.57	344.34	2.85	-43.72
O=C(CCC1=C(Br)C=CS1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004612	0	33	-1.0	-45.73	322.20	6.01	-39.72
O=C(CCC1=C(Br)C=CS1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004612	1	33	-1.0	-45.77	322.25	6.00	-39.77
O=C(CCNC1=CN=CN=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004613	0	36	-1.0	-51.16	316.09	2.54	-48.62
O=C(CCNC1=CN=CN=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004613	1	36	-1.0	-51.16	316.05	2.55	-48.61
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004614	0	36	-1.0	-54.05	334.48	5.70	-48.35
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004614	1	36	-1.0	-54.05	334.52	5.69	-48.36
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004614	1	36	-1.0	-52.59	334.33	5.70	-46.89
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004614	1	36	-1.0	-52.57	334.37	5.68	-46.89
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004615	0	51	-1.0	-52.34	401.82	7.82	-44.52
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004615	1	51	-1.0	-52.34	401.85	7.81	-44.53
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004616	0	39	-1.0	-47.60	348.65	5.63	-41.97
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004616	1	39	-1.0	-47.60	348.61	5.63	-41.97
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004617	0	37	-1.0	-48.02	342.87	5.56	-42.46
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004617	1	37	-1.0	-48.01	342.83	5.57	-42.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC(F)(F)CC1	REAL300020004618	0	39	-1.0	-49.52	312.10	5.71	-43.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC(F)(F)CC1	REAL300020004618	1	39	-1.0	-49.50	312.14	5.70	-43.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020004619	0	37	-1.0	-48.40	327.96	7.13	-41.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020004619	1	37	-1.0	-48.42	328.00	7.12	-41.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2=CC=NN2C1	REAL300020004620	0	37	-1.0	-47.68	312.27	4.16	-43.52
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=CC=NN2C1	REAL300020004620	1	37	-1.0	-47.65	312.31	4.15	-43.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=NSC2=CC=C1	REAL300020004621	0	32	-1.0	-50.68	294.18	4.95	-45.73
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=NSC2=CC=C1	REAL300020004621	1	32	-1.0	-50.77	293.86	4.97	-45.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=NON=C21	REAL300020004622	0	31	-1.0	-57.17	282.82	3.74	-53.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=NON=C21	REAL300020004622	1	31	-1.0	-57.23	282.78	3.75	-53.48
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300020004623	0	36	-1.0	-55.23	339.67	2.94	-52.29
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300020004623	1	36	-1.0	-55.18	339.71	2.94	-52.24
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(C2CC2)=NO1	REAL300020004624	0	38	-1.0	-44.27	326.83	4.46	-39.81
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C2CC2)=NO1	REAL300020004624	1	38	-1.0	-44.68	327.18	4.44	-40.24
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL300020004625	0	46	-1.0	-45.27	393.63	2.79	-42.48
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL300020004625	1	46	-1.0	-45.32	393.67	2.78	-42.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300020004626	0	35	-1.0	-42.89	323.85	5.15	-37.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300020004626	1	35	-1.0	-42.91	323.89	5.15	-37.76
C#CC1=CC=C(C2CC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020004627	0	39	-1.0	-50.73	338.32	8.04	-42.69
C#CC1=CC=C(C2CC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004627	1	39	-1.0	-50.74	338.36	8.03	-42.71
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C2C=N1	REAL300020004628	0	38	-1.0	-48.26	330.30	5.69	-42.57
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C2C=N1	REAL300020004628	1	38	-1.0	-48.25	330.34	5.68	-42.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCC2)CC1(F)F	REAL300020004629	0	37	-1.0	-43.66	310.07	6.15	-37.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCC2)CC1(F)F	REAL300020004629	1	37	-1.0	-43.67	310.14	6.15	-37.52
CN1N=CC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C(C3CC3)N=C21	REAL300020004630	0	42	-1.0	-48.33	357.89	6.01	-42.32
CN1N=CC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C(C3CC3)N=C21	REAL300020004630	1	42	-1.0	-48.31	358.21	5.99	-42.32
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004631	0	50	-1.0	-54.04	401.71	4.08	-49.96
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004631	1	50	-1.0	-53.99	401.75	4.07	-49.92
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)(C2CC2)C1	REAL300020004632	0	54	-1.0	-53.12	422.88	7.35	-45.77
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)(C2CC2)C1	REAL300020004632	1	54	-1.0	-53.16	422.92	7.34	-45.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C(=O)NCCN2N=C1	REAL300020004633	0	35	-1.0	-58.42	305.58	1.53	-56.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C(=O)NCCN2N=C1	REAL300020004633	1	35	-1.0	-58.46	305.54	1.54	-56.92
CC=CC1=CC=C(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(OC)=C1	REAL300020004634	0	45	-1.0	-54.20	382.06	7.11	-47.09
CC=CC1=CC=C(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(OC)=C1	REAL300020004634	1	45	-1.0	-54.22	382.11	7.11	-47.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(=O)CC12CCC2	REAL300020004635	0	39	-1.0	-46.57	319.96	5.43	-41.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(=O)CC12CCC2	REAL300020004635	1	39	-1.0	-46.54	320.00	5.42	-41.12
CC1=CNC2=NC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300020004636	0	36	-1.0	-49.03	314.79	4.84	-44.19
CC1=CNC2=NC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300020004636	1	36	-1.0	-49.01	314.84	4.84	-44.17
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004637	0	54	-1.0	-50.60	412.15	6.19	-44.41
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004637	1	54	-1.0	-50.54	412.19	6.20	-44.34
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300020004638	0	37	-1.0	-49.98	328.16	3.59	-46.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300020004638	1	37	-1.0	-49.96	328.20	3.60	-46.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300020004639	0	47	-1.0	-51.95	372.32	7.40	-44.55
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300020004639	1	47	-1.0	-51.98	372.35	7.39	-44.59
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)O1	REAL300020004640	0	41	-1.0	-52.02	361.43	2.28	-49.74
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)O1	REAL300020004640	1	41	-1.0	-52.02	361.47	2.28	-49.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2=CC=CN=C2C1	REAL300020004641	0	36	-1.0	-47.58	308.20	4.86	-42.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2=CC=CN=C2C1	REAL300020004641	1	36	-1.0	-47.58	308.25	4.87	-42.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300020004642	0	36	-1.0	-50.08	330.99	7.68	-42.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300020004642	1	36	-1.0	-50.11	331.04	7.67	-42.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300020004643	0	42	-1.0	-51.24	362.77	8.67	-42.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300020004643	1	42	-1.0	-51.32	362.83	8.67	-42.65
CC1=CC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C2C(F)=C1	REAL300020004644	0	38	-1.0	-47.50	335.17	6.03	-41.47
CC1=CC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CN=C2C(F)=C1	REAL300020004644	1	38	-1.0	-47.45	335.14	6.03	-41.42
CN1C=C(C2=NC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CO2)C=N1	REAL300020004645	0	36	-1.0	-48.04	330.49	1.06	-46.98
CN1C=C(C2=NC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CO2)C=N1	REAL300020004645	1	36	-1.0	-47.94	330.45	1.06	-46.88
COC1=C2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)NC2=C(C)C=C1	REAL300020004646	0	41	-1.0	-48.51	350.98	4.80	-43.71
COC1=C2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)NC2=C(C)C=C1	REAL300020004646	1	41	-1.0	-48.51	351.02	4.79	-43.72
CCCCOC1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020004647	0	46	-1.0	-49.11	385.49	7.38	-41.73
CCCCOC1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004647	1	46	-1.0	-49.14	385.53	7.37	-41.77
COC1=NC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300020004648	0	39	-1.0	-47.29	339.50	3.80	-43.49
COC1=NC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300020004648	1	39	-1.0	-47.26	339.46	3.81	-43.45
CC1=CN2C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C2S1	REAL300020004649	0	33	-1.0	-47.47	303.43	5.31	-42.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300020004650	0	27	-1.0	-42.79	291.68	5.00	-37.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300020004650	1	27	-1.0	-42.79	291.72	5.00	-37.79
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004651	0	41	-1.0	-45.05	340.56	5.51	-39.54
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004651	1	41	-1.0	-45.05	340.52	5.52	-39.53
COC1CC2(C1)CCC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300020004652	0	47	-1.0	-46.40	369.35	5.75	-40.65
COC1CC2(C1)CCC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300020004652	1	47	-1.0	-46.39	369.13	5.75	-40.64
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004653	0	48	-1.0	-48.10	386.93	8.97	-39.13
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004653	1	48	-1.0	-47.97	387.49	8.95	-39.02
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004654	0	51	-1.0	-45.78	368.57	7.48	-38.30
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004654	1	51	-1.0	-45.75	368.64	7.48	-38.27
CC1=CC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C2C=C1	REAL300020004655	0	38	-1.0	-46.61	329.23	5.92	-40.69
CC1=CC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CN=C2C=C1	REAL300020004655	1	38	-1.0	-46.63	329.19	5.92	-40.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1COC2COCC21	REAL300020004656	0	36	-1.0	-50.43	292.95	1.39	-49.04
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1COC2COCC21	REAL300020004656	1	36	-1.0	-50.42	292.99	1.38	-49.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC(=O)C2)CC1	REAL300020004657	0	42	-1.0	-49.56	339.43	5.91	-43.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC(=O)C2)CC1	REAL300020004657	1	42	-1.0	-49.56	339.47	5.90	-43.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300020004658	0	37	-1.0	-53.91	322.45	4.64	-49.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300020004658	1	37	-1.0	-53.91	322.49	4.64	-49.27
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004659	0	45	-1.0	-47.99	366.00	8.19	-39.80
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004659	1	45	-1.0	-48.00	366.04	8.18	-39.82
COC1(C(F)(F)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020004660	0	40	-1.0	-41.83	325.40	4.53	-37.30
COC1(C(F)(F)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020004660	1	40	-1.0	-41.80	325.44	4.53	-37.27
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004661	0	44	-1.0	-47.10	366.25	6.47	-40.63
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004661	1	44	-1.0	-47.12	366.29	6.46	-40.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCC(F)(F)CC2	REAL300020004662	0	40	-1.0	-47.50	332.65	6.52	-40.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCC(F)(F)CC2	REAL300020004662	1	40	-1.0	-47.55	332.69	6.52	-41.03
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1Br	REAL300020004663	0	32	-1.0	-44.11	303.45	4.24	-39.87
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1Br	REAL300020004663	1	32	-1.0	-44.06	303.40	4.25	-39.81
CN(C)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300020004664	0	40	-1.0	-47.84	346.92	6.16	-41.68
CN(C)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300020004664	1	40	-1.0	-47.90	346.96	6.16	-41.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300020004665	0	34	-1.0	-47.55	314.35	4.77	-42.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300020004665	1	34	-1.0	-47.50	314.30	4.76	-42.74
COC(=O)C1=CSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004666	0	33	-1.0	-50.96	314.55	4.57	-46.39
COC(=O)C1=CSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004666	1	33	-1.0	-50.99	314.59	4.56	-46.43
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004667	0	41	-1.0	-45.24	338.06	5.40	-39.84
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004667	1	41	-1.0	-45.24	338.02	5.40	-39.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300020004668	0	38	-1.0	-44.90	354.78	7.01	-37.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300020004668	1	38	-1.0	-44.91	354.82	7.01	-37.90
N#CC1=CC=C(C2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N=CO2)C=C1	REAL300020004669	0	37	-1.0	-47.92	342.32	3.70	-44.22
N#CC1=CC=C(C2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N=CO2)C=C1	REAL300020004669	1	37	-1.0	-47.94	342.26	3.71	-44.23
COC1CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL300020004670	0	43	-1.0	-49.21	347.16	4.79	-44.42
COC1CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL300020004670	1	43	-1.0	-49.26	347.20	4.78	-44.48
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004671	0	54	-1.0	-52.15	428.18	7.70	-44.45
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004671	1	54	-1.0	-52.12	428.23	7.69	-44.43
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020004672	0	40	-1.0	-45.06	358.26	6.95	-38.11
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020004672	1	40	-1.0	-45.07	358.31	6.93	-38.14
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004673	0	50	-1.0	-44.71	409.52	4.68	-40.03
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004673	1	50	-1.0	-44.74	409.55	4.68	-40.06
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=NN21	REAL300020004674	0	44	-1.0	-55.36	364.71	6.31	-49.05
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=NN21	REAL300020004674	1	44	-1.0	-55.36	364.67	6.32	-49.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020004675	0	40	-1.0	-44.98	351.15	7.54	-37.44
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020004675	1	40	-1.0	-45.09	351.19	7.53	-37.56
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC2(F)F)C1	REAL300020004676	0	37	-1.0	-47.22	319.20	5.96	-41.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC2(F)F)C1	REAL300020004676	1	37	-1.0	-47.21	319.25	5.96	-41.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2C1C2(F)F	REAL300020004677	0	37	-1.0	-51.25	308.83	5.79	-45.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2C1C2(F)F	REAL300020004677	1	37	-1.0	-51.27	308.86	5.79	-45.48
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004678	0	41	-1.0	-52.78	342.38	6.16	-46.62
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004678	1	41	-1.0	-52.75	342.43	6.15	-46.60
O=C(CCC1=CC=CC(Br)=C1F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004679	0	36	-1.0	-47.74	338.59	7.01	-40.73
O=C(CCC1=CC=CC(Br)=C1F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004679	1	36	-1.0	-47.75	338.62	7.00	-40.75
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300020004680	0	44	-1.0	-47.65	362.86	7.56	-40.09
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300020004680	1	44	-1.0	-47.69	362.90	7.55	-40.14
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004681	0	48	-1.0	-44.74	344.59	6.96	-37.78
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004681	1	48	-1.0	-44.95	340.62	6.87	-38.08
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL300020004682	0	48	-1.0	-47.63	396.06	4.35	-43.28
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL300020004682	1	48	-1.0	-47.55	395.82	4.36	-43.19
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C(F)F)=NN1C	REAL300020004683	0	36	-1.0	-48.41	324.65	3.79	-44.62
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)F)=NN1C	REAL300020004683	1	36	-1.0	-48.38	324.69	3.79	-44.59
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004684	0	41	-1.0	-58.46	340.48	4.23	-54.23
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004684	1	41	-1.0	-58.47	340.53	4.21	-54.26
CCC1=CC=C(C(=O)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300020004685	0	35	-1.0	-41.66	321.99	5.37	-36.29
CCC1=CC=C(C(=O)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300020004685	1	35	-1.0	-41.48	321.74	5.37	-36.11
COC1=CC(Br)=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300020004686	0	34	-1.0	-45.81	318.38	4.89	-40.92
COC1=CC(Br)=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300020004686	1	34	-1.0	-45.84	318.42	4.91	-40.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(C2CCCC2)=C1	REAL300020004687	0	40	-1.0	-44.77	334.88	4.57	-40.20
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(C2CCCC2)=C1	REAL300020004687	1	40	-1.0	-44.69	334.64	4.56	-40.13
CC1(C)OC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2NC1=O	REAL300020004688	0	42	-1.0	-49.98	356.85	3.46	-46.52
CC1(C)OC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2NC1=O	REAL300020004688	1	42	-1.0	-50.00	356.89	3.46	-46.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300020004689	0	38	-1.0	-49.44	320.40	4.07	-45.37
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300020004689	1	38	-1.0	-49.39	320.62	4.06	-45.33
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300020004690	0	38	-1.0	-51.38	336.25	3.83	-47.55
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300020004690	1	38	-1.0	-51.36	336.29	3.83	-47.53
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C12	REAL300020004691	0	42	-1.0	-47.69	357.28	7.63	-40.06
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C12	REAL300020004691	1	42	-1.0	-47.67	357.32	7.62	-40.05
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC2=C1CCNC2=O	REAL300020004692	0	37	-1.0	-46.84	315.69	1.57	-45.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC2=C1CCNC2=O	REAL300020004692	1	37	-1.0	-46.80	315.73	1.57	-45.23
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NC=C1C(F)F	REAL300020004693	0	35	-1.0	-45.99	313.71	4.59	-41.40
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NC=C1C(F)F	REAL300020004693	1	35	-1.0	-46.06	313.75	4.58	-41.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCCNC2=O)S1	REAL300020004694	0	38	-1.0	-53.11	336.04	3.18	-49.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCCNC2=O)S1	REAL300020004694	1	38	-1.0	-53.13	336.09	3.17	-49.96
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004695	0	39	-1.0	-54.20	332.31	2.84	-51.36
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004695	1	39	-1.0	-54.08	332.26	2.84	-51.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2C1C2(F)F	REAL300020004696	0	34	-1.0	-50.84	289.49	5.10	-45.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2C1C2(F)F	REAL300020004696	1	34	-1.0	-50.79	289.53	5.11	-45.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300020004697	0	34	-1.0	-47.30	321.17	4.10	-43.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300020004697	1	34	-1.0	-47.35	321.12	4.11	-43.24
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004698	0	50	-1.0	-47.43	409.86	2.68	-44.75
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004698	1	50	-1.0	-47.37	409.90	2.68	-44.69
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004699	0	53	-1.0	-49.08	415.45	6.18	-42.90
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004699	1	53	-1.0	-49.08	415.49	6.17	-42.91
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004700	0	50	-1.0	-47.30	396.83	4.75	-42.55
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004700	1	50	-1.0	-47.44	396.63	4.75	-42.69
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004701	0	51	-1.0	-52.01	414.90	5.11	-46.90
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004701	1	51	-1.0	-52.01	414.94	5.10	-46.91
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004702	0	41	-1.0	-54.03	345.66	5.75	-48.28
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004702	1	41	-1.0	-54.06	345.72	5.74	-48.32
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004703	0	33	-1.0	-51.98	309.17	3.97	-48.01
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004703	1	33	-1.0	-51.94	309.21	3.96	-47.98
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C12CCC2	REAL300020004704	0	54	-1.0	-49.08	415.45	6.12	-42.96
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C12CCC2	REAL300020004704	1	54	-1.0	-49.07	415.49	6.11	-42.96
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004705	0	44	-1.0	-56.33	370.18	3.70	-52.63
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004705	1	44	-1.0	-56.36	370.23	3.70	-52.66
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1S(=O)(=O)N(C)C	REAL300020004706	0	44	-1.0	-51.00	377.88	3.87	-47.13
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1S(=O)(=O)N(C)C	REAL300020004706	1	44	-1.0	-51.01	377.94	3.86	-47.15
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N2C=C(C)SC2=N1	REAL300020004707	0	39	-1.0	-47.07	342.66	6.66	-40.41
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004708	0	51	-1.0	-55.54	400.30	6.83	-48.71
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004708	1	51	-1.0	-55.53	400.34	6.83	-48.70
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300020004709	0	33	-1.0	-50.16	317.85	6.30	-43.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300020004709	1	33	-1.0	-50.14	317.89	6.30	-43.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(C2CCCO2)O1	REAL300020004710	0	42	-1.0	-49.38	345.10	4.14	-45.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(C2CCCO2)O1	REAL300020004710	1	42	-1.0	-49.31	345.14	4.14	-45.17
CN1N=NC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C21	REAL300020004711	0	35	-1.0	-62.48	309.34	3.53	-58.95
CN1N=NC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C21	REAL300020004711	1	35	-1.0	-62.48	309.30	3.53	-58.95
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2OCCCC2=C1	REAL300020004712	0	37	-1.0	-47.66	315.03	2.43	-45.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2OCCCC2=C1	REAL300020004712	1	37	-1.0	-47.63	314.99	2.43	-45.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300020004713	0	35	-1.0	-44.24	320.39	4.14	-40.10
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300020004713	1	35	-1.0	-44.21	320.43	4.14	-40.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)CCC1=CC=CC=C1	REAL300020004714	0	39	-1.0	-41.81	344.08	7.30	-34.51
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)CCC1=CC=CC=C1	REAL300020004714	1	39	-1.0	-41.85	344.12	7.30	-34.55
CC1=CC2=C(C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)S2)S1	REAL300020004715	0	33	-1.0	-44.67	317.63	6.21	-38.46
CC1=CC2=C(C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)S2)S1	REAL300020004715	1	33	-1.0	-44.68	317.67	6.19	-38.49
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC=CC2=CC=CC=C21	REAL300020004716	0	38	-1.0	-48.72	321.92	7.10	-41.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC=CC2=CC=CC=C21	REAL300020004716	1	38	-1.0	-48.76	321.96	7.09	-41.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300020004717	0	36	-1.0	-43.58	344.62	7.31	-36.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300020004717	1	36	-1.0	-43.54	344.67	7.30	-36.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2C=NN=C2C=N1	REAL300020004718	0	31	-1.0	-46.86	284.67	4.45	-42.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2C=NN=C2C=N1	REAL300020004718	1	31	-1.0	-46.83	284.62	4.46	-42.37
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004719	0	43	-1.0	-48.57	372.09	8.34	-40.23
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004719	1	43	-1.0	-48.55	372.13	8.33	-40.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300020004720	0	35	-1.0	-48.50	302.38	5.26	-43.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300020004720	1	35	-1.0	-48.62	302.07	5.27	-43.35
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004721	0	38	-1.0	-51.30	322.86	6.26	-45.04
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004721	1	38	-1.0	-51.33	322.90	6.26	-45.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2SC=CC2=CN=C1	REAL300020004722	0	32	-1.0	-48.23	296.25	4.49	-43.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2SC=CC2=CN=C1	REAL300020004722	1	32	-1.0	-48.22	296.21	4.50	-43.72
CC(C)C(C)C(C)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004723	0	44	-1.0	-45.63	336.26	6.09	-39.54
CC(C)C(C)C(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004723	1	44	-1.0	-45.66	336.29	6.09	-39.57
COC1CC2(C1)CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020004724	0	41	-1.0	-46.22	340.17	4.70	-41.52
COC1CC2(C1)CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020004724	1	41	-1.0	-46.26	340.21	4.69	-41.57
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004725	0	46	-1.0	-48.97	382.54	7.06	-41.91
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004725	1	46	-1.0	-49.00	382.58	7.05	-41.95
CC1(C)CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020004726	0	40	-1.0	-44.73	317.89	3.91	-40.82
CC1(C)CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020004726	1	40	-1.0	-44.78	317.94	3.89	-40.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020004727	0	37	-1.0	-46.30	347.48	7.72	-38.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020004727	1	37	-1.0	-46.27	347.51	7.72	-38.55
O=C(CC1CCCNC(=O)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004728	0	40	-1.0	-60.34	323.36	2.42	-57.92
O=C(CC1CCCNC(=O)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004728	1	40	-1.0	-60.20	323.13	2.42	-57.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300020004729	0	46	-1.0	-46.81	365.79	8.47	-38.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300020004729	1	46	-1.0	-46.83	365.84	8.46	-38.37
O=C(CN1C=C(I)C=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004730	0	30	-1.0	-53.40	299.34	4.09	-49.31
O=C(CN1C=C(I)C=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004730	1	30	-1.0	-53.35	299.30	4.10	-49.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2C=C(Br)C=CN12	REAL300020004731	0	33	-1.0	-46.26	313.10	5.82	-40.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2C=C(Br)C=CN12	REAL300020004731	1	33	-1.0	-46.24	313.06	5.83	-40.41
CN1C=NC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C21	REAL300020004732	0	36	-1.0	-58.12	314.42	6.38	-51.74
CN1C=NC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C21	REAL300020004732	1	36	-1.0	-58.09	314.38	6.37	-51.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300020004733	0	40	-1.0	-56.10	354.50	1.24	-54.86
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300020004733	1	40	-1.0	-56.12	354.45	1.25	-54.87
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC2=CC=CNC2=C1	REAL300020004734	0	33	-1.0	-60.49	296.47	3.06	-57.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC2=CC=CNC2=C1	REAL300020004734	1	33	-1.0	-60.47	296.51	3.05	-57.42
COC1=C(Cl)C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=NC=CC=C21	REAL300020004735	0	39	-1.0	-50.63	354.54	5.74	-44.89
COC1=C(Cl)C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=NC=CC=C21	REAL300020004735	1	39	-1.0	-50.65	354.50	5.76	-44.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN2N=NC=C12	REAL300020004736	0	32	-1.0	-49.03	284.73	3.48	-45.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN2N=NC=C12	REAL300020004736	1	32	-1.0	-49.09	284.68	3.49	-45.60
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004737	0	51	-1.0	-48.36	411.92	5.95	-42.41
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004737	1	51	-1.0	-48.31	411.94	5.94	-42.37
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004738	0	46	0.0	-76.61	374.70	6.58	-70.03
CP(C)(=O)C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004739	0	39	-1.0	-54.90	346.54	4.45	-50.45
CP(C)(=O)C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004739	1	39	-1.0	-54.95	346.59	4.45	-50.50
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C(=O)N2)C1	REAL300020004740	0	52	-1.0	-49.51	400.47	6.58	-42.93
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C(=O)N2)C1	REAL300020004740	1	52	-1.0	-49.77	400.79	6.57	-43.20
O=C(CC1=C(F)C=CC(F)=C1Br)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004741	0	33	-1.0	-47.18	320.21	6.15	-41.03
O=C(CC1=C(F)C=CC(F)=C1Br)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004741	1	33	-1.0	-47.19	319.97	6.15	-41.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300020004742	0	44	-1.0	-60.43	372.08	4.74	-55.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300020004742	1	44	-1.0	-60.40	372.13	4.73	-55.67
CN1C=NC2=C1CCCC2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004743	0	40	-1.0	-49.07	330.70	6.70	-42.37
CN1C=NC2=C1CCCC2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004743	1	40	-1.0	-49.08	330.75	6.70	-42.38
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004744	0	40	-1.0	-56.82	354.66	2.31	-54.51
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004744	1	40	-1.0	-56.83	354.70	2.31	-54.52
CC(C)(C)OC(=O)NOCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004745	0	47	-1.0	-56.33	392.51	3.76	-52.57
CC(C)(C)OC(=O)NOCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004745	1	47	-1.0	-56.34	392.55	3.75	-52.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300020004746	0	40	-1.0	-45.19	357.00	5.59	-39.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300020004746	1	40	-1.0	-45.16	357.05	5.59	-39.57
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C(C)C(C)C	REAL300020004747	0	45	-1.0	-46.46	367.01	6.12	-40.34
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C(C)C(C)C	REAL300020004747	1	45	-1.0	-46.49	367.05	6.11	-40.38
CCCSC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004748	0	40	-1.0	-48.52	349.66	7.56	-40.96
CCCSC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004748	1	40	-1.0	-48.55	349.71	7.56	-40.99
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004749	0	44	-1.0	-47.09	355.47	6.78	-40.31
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004749	1	44	-1.0	-47.06	355.53	6.78	-40.28
COC1=CC=C(Cl)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020004750	0	33	-1.0	-44.77	308.46	2.26	-42.51
COC1=CC=C(Cl)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020004750	1	33	-1.0	-44.75	308.42	2.26	-42.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300020004751	0	39	-1.0	-45.25	354.84	7.11	-38.14
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300020004751	1	39	-1.0	-45.34	354.79	7.11	-38.23
CCCCSC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004752	0	43	-1.0	-48.57	371.16	8.34	-40.23
CCCCSC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004752	1	43	-1.0	-48.53	371.20	8.34	-40.19
CC1=NC=NC2=C1CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300020004753	0	41	-1.0	-48.15	337.29	5.78	-42.37
CC1=NC=NC2=C1CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300020004753	1	41	-1.0	-48.16	337.33	5.77	-42.39
CC(C)N(C)C(=O)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004754	0	42	-1.0	-46.46	346.22	4.38	-42.08
CC(C)N(C)C(=O)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004754	1	42	-1.0	-46.54	346.26	4.37	-42.17
CC1C(=O)N(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)C1C	REAL300020004755	0	39	-1.0	-52.38	338.13	3.79	-48.59
CC1C(=O)N(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)C1C	REAL300020004755	1	39	-1.0	-52.40	338.17	3.78	-48.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC2=CC=C(Br)C=C12	REAL300020004756	0	33	-1.0	-51.48	316.50	5.86	-45.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC2=CC=C(Br)C=C12	REAL300020004756	1	33	-1.0	-51.45	316.54	5.85	-45.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(OC(F)(F)F)CC1	REAL300020004757	0	40	-1.0	-48.75	334.44	4.50	-44.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(OC(F)(F)F)CC1	REAL300020004757	1	40	-1.0	-48.76	334.48	4.48	-44.28
O=C(CC1=CSC(Cl)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004758	0	30	-1.0	-47.87	298.14	5.12	-42.75
O=C(CC1=CSC(Cl)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004758	1	30	-1.0	-47.93	297.91	5.13	-42.80
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004759	0	39	-1.0	-45.48	359.78	7.84	-37.64
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004759	1	39	-1.0	-45.48	359.82	7.83	-37.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=C(Br)C=C2O1	REAL300020004760	0	33	-1.0	-42.66	319.00	5.91	-36.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=C(Br)C=C2O1	REAL300020004760	1	33	-1.0	-42.61	319.04	5.90	-36.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC(F)(CC1)C2	REAL300020004761	0	37	-1.0	-47.05	306.33	5.43	-41.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(F)(CC1)C2	REAL300020004761	1	37	-1.0	-47.06	306.37	5.43	-41.63
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004762	0	40	-1.0	-48.11	340.62	6.98	-41.13
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004762	1	40	-1.0	-48.10	340.66	6.98	-41.12
COC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C(F)F)=N1	REAL300020004763	0	35	-1.0	-49.66	314.60	0.50	-49.16
COC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)F)=N1	REAL300020004763	1	35	-1.0	-49.64	314.65	0.49	-49.15
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC(F)(F)F	REAL300020004764	0	35	-1.0	-49.80	303.95	4.93	-44.87
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC(F)(F)F	REAL300020004764	1	35	-1.0	-49.79	303.75	4.93	-44.86
O=C(CC1CCC2(CCCC2)CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004765	0	49	-1.0	-46.25	368.90	7.98	-38.27
O=C(CC1CCC2(CCCC2)CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004765	1	49	-1.0	-46.26	368.95	7.97	-38.29
COC1=CC=C(N2CCCCC2)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004766	0	49	-1.0	-47.30	390.66	6.81	-40.49
COC1=CC=C(N2CCCCC2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004766	1	49	-1.0	-47.32	390.71	6.82	-40.50
CC1COC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C21	REAL300020004767	0	38	-1.0	-51.94	322.26	6.23	-45.71
CC1COC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C21	REAL300020004767	1	38	-1.0	-51.92	322.30	6.23	-45.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=CC=CC=N2)S1	REAL300020004768	0	36	-1.0	-46.92	333.82	5.93	-40.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=CC=CC=N2)S1	REAL300020004768	1	36	-1.0	-46.95	333.78	5.94	-41.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2CCOCC2=C1	REAL300020004769	0	37	-1.0	-46.12	315.18	3.17	-42.95
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2CCOCC2=C1	REAL300020004769	1	37	-1.0	-46.15	315.22	3.17	-42.98
O=C(CC1COCC2=CC=CC=C21)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004770	0	41	-1.0	-48.47	336.46	5.43	-43.04
O=C(CC1COCC2=CC=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004770	1	41	-1.0	-48.46	336.51	5.42	-43.04
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020004771	0	51	-1.0	-51.86	401.76	5.27	-46.59
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020004771	1	51	-1.0	-51.84	401.81	5.27	-46.57
CC1=NN=C2CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CN12	REAL300020004772	0	36	-1.0	-53.25	310.02	5.00	-48.25
CC1=NN=C2CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CN12	REAL300020004772	1	36	-1.0	-53.19	310.06	4.99	-48.20
O=C(CC1CCCCCC1(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004773	0	42	-1.0	-47.39	328.33	6.23	-41.16
O=C(CC1CCCCCC1(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004773	1	42	-1.0	-47.41	328.38	6.22	-41.19
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL300020004774	0	47	-1.0	-47.92	397.74	1.69	-46.23
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300020004774	1	47	-1.0	-47.96	397.78	1.68	-46.28
CC(C)(C)OC(=O)N1CCCCC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004775	0	53	-1.0	-48.30	406.17	6.76	-41.54
CC(C)(C)OC(=O)N1CCCCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004775	1	53	-1.0	-48.26	406.21	6.75	-41.51
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]2C1	REAL300020004776	0	54	-1.0	-51.09	422.15	6.59	-44.50
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]2C1	REAL300020004776	1	54	-1.0	-51.11	421.92	6.59	-44.52
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020004777	0	51	-1.0	-46.66	403.67	6.52	-40.14
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020004777	1	51	-1.0	-46.63	403.72	6.52	-40.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020004778	0	42	-1.0	-49.08	362.86	8.16	-40.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020004778	1	42	-1.0	-49.09	362.91	8.15	-40.94
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCS1(=O)=O	REAL300020004779	0	39	-1.0	-55.72	330.71	1.90	-53.82
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCS1(=O)=O	REAL300020004779	1	39	-1.0	-55.76	331.02	1.87	-53.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL300020004780	0	43	-1.0	-46.05	327.35	6.55	-39.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL300020004780	1	43	-1.0	-46.04	327.39	6.56	-39.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300020004781	0	44	-1.0	-45.71	354.49	8.45	-37.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300020004781	1	44	-1.0	-45.72	354.52	8.45	-37.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(N2CCCNS2(=O)=O)=C1	REAL300020004782	0	44	-1.0	-52.91	380.03	1.91	-51.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(N2CCCNS2(=O)=O)=C1	REAL300020004782	1	44	-1.0	-62.13	380.08	1.91	-60.22
CC(C1CC1)N1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1=O	REAL300020004783	0	44	-1.0	-54.81	361.01	5.49	-49.32
CC(C1CC1)N1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1=O	REAL300020004783	1	44	-1.0	-54.81	361.06	5.49	-49.32
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004784	0	47	-1.0	-56.33	383.82	4.69	-51.64
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004784	1	47	-1.0	-56.35	383.86	4.68	-51.67
CCC1=CN2CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CCC2=N1	REAL300020004785	0	43	-1.0	-49.07	354.31	6.35	-42.72
CCC1=CN2CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CCC2=N1	REAL300020004785	1	43	-1.0	-49.03	354.35	6.36	-42.67
O=C(CCC12CCC(CC1)C2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004786	0	43	-1.0	-45.56	339.83	6.87	-38.69
O=C(CCC12CCC(CC1)C2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004786	1	43	-1.0	-45.54	339.87	6.87	-38.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020004787	0	43	-1.0	-47.58	369.31	9.35	-38.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020004787	1	43	-1.0	-47.57	369.35	9.36	-38.21
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004788	0	38	-1.0	-54.14	314.17	2.10	-52.04
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004788	1	38	-1.0	-54.17	314.22	2.10	-52.07
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004789	0	54	-1.0	-54.35	428.09	6.63	-47.72
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004789	1	54	-1.0	-54.28	428.14	6.62	-47.66
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004790	0	54	-1.0	-49.91	418.85	7.19	-42.72
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004790	1	54	-1.0	-49.92	418.89	7.20	-42.72
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004791	0	51	-1.0	-53.06	404.02	3.44	-49.62
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004791	1	51	-1.0	-53.10	404.07	3.43	-49.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(N2C=CN=C2)=N1	REAL300020004792	0	35	-1.0	-46.69	316.83	4.82	-41.87
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(N2C=CN=C2)=N1	REAL300020004792	1	35	-1.0	-46.62	316.79	4.81	-41.81
CC1(C)CC2=CC=CC(CC(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2O1	REAL300020004793	0	44	-1.0	-49.25	368.49	6.79	-42.46
CC1(C)CC2=CC=CC(CC(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2O1	REAL300020004793	1	44	-1.0	-49.41	368.26	6.79	-42.62
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004794	0	42	-1.0	-56.88	370.71	6.64	-50.24
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004794	1	42	-1.0	-56.95	370.76	6.63	-50.32
CC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C#N	REAL300020004795	0	33	-1.0	-47.30	301.68	3.97	-43.33
CC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C#N	REAL300020004795	1	33	-1.0	-47.28	301.73	3.98	-43.30
CN1C=NC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1=O	REAL300020004796	0	38	-1.0	-57.96	332.73	5.58	-52.38
CN1C=NC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1=O	REAL300020004796	1	38	-1.0	-57.93	332.69	5.59	-52.34
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004797	0	50	-1.0	-53.44	398.88	4.39	-49.05
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004797	1	50	-1.0	-53.44	398.91	4.38	-49.06
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC=CCC1	REAL300020004798	0	54	-1.0	-44.59	417.98	5.73	-38.86
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC=CCC1	REAL300020004798	1	54	-1.0	-44.59	418.02	5.71	-38.88
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004799	0	51	-1.0	-45.79	410.70	6.49	-39.30
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004799	1	51	-1.0	-45.84	410.75	6.48	-39.36
CC(C)(C)OC(=O)NC12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)OC2	REAL300020004800	0	49	-1.0	-44.55	399.33	1.90	-42.65
CC(C)(C)OC(=O)NC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)OC2	REAL300020004800	1	49	-1.0	-44.56	399.37	1.90	-42.66
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004801	0	50	-1.0	-47.98	405.77	3.70	-44.28
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004801	1	50	-1.0	-47.96	405.83	3.70	-44.26
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300020004802	0	47	-1.0	-51.11	391.59	5.30	-45.81
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300020004802	1	47	-1.0	-51.11	391.63	5.28	-45.83
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004803	0	49	-1.0	-51.04	401.68	3.82	-47.22
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004803	1	49	-1.0	-51.01	401.72	3.82	-47.19
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2)C1	REAL300020004804	0	54	-1.0	-48.25	423.36	6.58	-41.67
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2)C1	REAL300020004804	1	54	-1.0	-48.21	423.40	6.58	-41.63
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004805	0	43	-1.0	-47.44	358.95	2.66	-44.78
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004805	1	43	-1.0	-47.42	358.98	2.66	-44.76
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300020004806	0	30	-1.0	-43.64	305.23	5.94	-37.70
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300020004806	1	30	-1.0	-43.65	304.98	5.96	-37.69
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004807	0	44	-1.0	-58.12	374.89	6.06	-52.06
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004807	1	44	-1.0	-58.14	374.93	6.05	-52.09
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004808	0	49	-1.0	-45.37	390.01	3.89	-41.48
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004808	1	49	-1.0	-45.41	390.06	3.88	-41.53
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300020004809	0	37	-1.0	-46.64	326.21	1.52	-45.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300020004809	1	37	-1.0	-46.74	326.47	1.52	-45.22
CC1CCC(OCCCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004810	0	49	-1.0	-48.82	388.80	6.81	-42.01
CC1CCC(OCCCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004810	1	49	-1.0	-48.79	388.85	6.80	-41.99
CCC1(C)CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020004811	0	40	-1.0	-49.77	325.22	5.08	-44.69
CCC1(C)CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020004811	1	40	-1.0	-49.76	325.26	5.08	-44.68
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020004812	0	44	-1.0	-49.53	374.77	6.06	-43.47
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004812	1	44	-1.0	-49.52	374.82	6.05	-43.47
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004813	0	41	-1.0	-55.84	344.59	5.78	-50.06
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004813	1	41	-1.0	-56.09	344.35	5.78	-50.31
CC1(C)C(=O)NC2CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC21	REAL300020004814	0	47	-1.0	-50.66	368.32	3.35	-47.31
CC1(C)C(=O)NC2CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC21	REAL300020004814	1	47	-1.0	-50.57	368.37	3.35	-47.22
COC1(C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=N2)CCOCC1	REAL300020004815	0	47	-1.0	-45.72	380.57	3.56	-42.16
COC1(C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=N2)CCOCC1	REAL300020004815	1	47	-1.0	-45.71	380.53	3.55	-42.16
CC(C)(C)OC(=O)NCCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL300020004816	0	49	-1.0	-49.38	415.15	3.54	-45.84
CC(C)(C)OC(=O)NCCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL300020004816	1	49	-1.0	-49.34	415.19	3.56	-45.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2SN=CC2=C1	REAL300020004817	0	32	-1.0	-47.18	298.15	5.08	-42.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2SN=CC2=C1	REAL300020004817	1	32	-1.0	-47.21	298.11	5.09	-42.12
CN(CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1)C1=CC=CC=C1	REAL300020004818	0	48	-1.0	-47.40	394.71	9.08	-38.32
CN(CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1)C1=CC=CC=C1	REAL300020004818	1	48	-1.0	-47.43	394.75	9.07	-38.36
CN1C=NC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2C1=O	REAL300020004819	0	38	-1.0	-52.69	332.70	5.59	-47.10
CN1C=NC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2C1=O	REAL300020004819	1	38	-1.0	-52.67	332.65	5.60	-47.07
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004820	0	38	-1.0	-43.91	349.59	5.69	-38.22
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004820	1	38	-1.0	-43.89	349.63	5.67	-38.22
COC1=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(OC)C=C1C	REAL300020004821	0	48	-1.0	-49.71	396.97	6.31	-43.40
COC1=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(OC)C=C1C	REAL300020004821	1	48	-1.0	-49.76	397.01	6.30	-43.46
O=C(CC1CCCCC1(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004822	0	39	-1.0	-43.82	320.37	5.94	-37.88
O=C(CC1CCCCC1(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004822	1	39	-1.0	-43.83	320.42	5.94	-37.89
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL300020004823	0	50	-1.0	-45.69	398.45	4.84	-40.85
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL300020004823	1	50	-1.0	-45.70	398.49	4.84	-40.86
CN1N=CC=C1C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004824	0	40	-1.0	-49.31	341.54	5.88	-43.43
CN1N=CC=C1C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020004824	1	40	-1.0	-49.31	341.51	5.89	-43.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(CC(F)C2)C1	REAL300020004825	0	37	-1.0	-46.32	313.03	5.83	-40.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CC(F)C2)C1	REAL300020004825	1	37	-1.0	-46.31	313.06	5.82	-40.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CN=NN2C=C1	REAL300020004826	0	32	-1.0	-50.56	287.96	3.47	-47.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CN=NN2C=C1	REAL300020004826	1	32	-1.0	-50.58	287.92	3.48	-47.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC(C1)S(=O)(=O)CC2	REAL300020004827	0	40	-1.0	-54.53	326.07	1.97	-52.56
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(C1)S(=O)(=O)CC2	REAL300020004827	1	40	-1.0	-54.53	326.11	1.96	-52.57
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2=NC=CC=C21	REAL300020004828	0	39	-1.0	-48.04	325.06	5.25	-42.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2=NC=CC=C21	REAL300020004828	1	39	-1.0	-48.02	325.10	5.24	-42.78
CN1C=C(SCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020004829	0	34	-1.0	-50.48	314.89	3.86	-46.62
CN1C=C(SCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020004829	1	34	-1.0	-50.51	314.85	3.87	-46.64
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004830	0	50	-1.0	-45.55	414.56	4.51	-41.04
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004830	1	50	-1.0	-45.56	414.60	4.50	-41.06
O=C(CCC1=C(F)C=CC=C1Cl)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004831	0	36	-1.0	-47.36	331.88	6.83	-40.53
O=C(CCC1=C(F)C=CC=C1Cl)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004831	1	36	-1.0	-47.33	331.93	6.82	-40.51
CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC(Cl)=CC=C21	REAL300020004832	0	37	-1.0	-55.28	337.89	7.10	-48.18
CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC(Cl)=CC=C21	REAL300020004832	1	37	-1.0	-55.24	337.93	7.09	-48.15
O=C(CC1CC2(CCC2)CO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004833	0	41	-1.0	-49.36	334.60	5.33	-44.03
O=C(CC1CC2(CCC2)CO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004833	1	41	-1.0	-49.36	334.64	5.32	-44.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CCF)C=C1	REAL300020004834	0	36	-1.0	-46.87	315.99	6.47	-40.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CCF)C=C1	REAL300020004834	1	36	-1.0	-46.85	316.04	6.48	-40.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2=CSC=C2C1	REAL300020004835	0	34	-1.0	-45.93	303.29	5.58	-40.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2=CSC=C2C1	REAL300020004835	1	34	-1.0	-45.98	303.33	5.57	-40.41
CC1=CN2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC2=N1	REAL300020004836	0	36	-1.0	-48.24	314.75	6.05	-42.19
CC1=CN2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC2=N1	REAL300020004836	1	36	-1.0	-48.27	314.80	6.05	-42.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(N2CCNS2(=O)=O)C=C1	REAL300020004837	0	41	-1.0	-58.85	358.94	1.00	-57.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(N2CCNS2(=O)=O)C=C1	REAL300020004837	1	41	-1.0	-58.89	358.98	1.01	-57.88
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C2C=CNC2=N1	REAL300020004838	0	35	-1.0	-47.23	309.92	3.99	-43.24
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C2C=CNC2=N1	REAL300020004838	1	35	-1.0	-47.20	309.96	3.98	-43.22
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004839	0	45	-1.0	-46.99	359.27	7.85	-39.14
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004839	1	45	-1.0	-46.90	358.35	7.79	-39.11
CC1(C)CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004840	0	45	-1.0	-44.91	330.17	6.40	-38.51
CC1(C)CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004840	1	45	-1.0	-44.92	330.22	6.39	-38.53
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004841	0	44	-1.0	-49.54	374.17	7.38	-42.16
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004841	1	44	-1.0	-49.52	374.21	7.37	-42.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL300020004842	0	51	-1.0	-47.38	421.91	8.72	-38.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL300020004842	1	51	-1.0	-47.37	421.96	8.71	-38.66
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004843	0	45	-1.0	-46.22	341.44	6.71	-39.51
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004843	1	45	-1.0	-46.21	341.50	6.71	-39.50
CC(C)N1C=C(C2CC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020004844	0	43	-1.0	-47.76	363.76	6.11	-41.65
CC(C)N1C=C(C2CC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020004844	1	43	-1.0	-47.75	363.71	6.12	-41.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300020004845	0	37	-1.0	-51.80	330.79	5.45	-46.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300020004845	1	37	-1.0	-51.78	330.83	5.45	-46.33
CC1CC(=O)NCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004846	0	37	-1.0	-48.92	305.85	1.91	-47.01
CC1CC(=O)NCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004846	1	37	-1.0	-48.93	305.88	1.90	-47.03
CCN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1Br	REAL300020004847	0	33	-1.0	-45.08	329.23	4.49	-40.59
CCN1N=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1Br	REAL300020004847	1	33	-1.0	-45.08	329.19	4.51	-40.57
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004848	0	34	-1.0	-52.66	307.42	1.75	-50.91
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004848	1	34	-1.0	-52.72	307.46	1.75	-50.97
CN1N=C(Br)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020004849	0	29	-1.0	-45.04	286.45	1.51	-43.53
CN1N=C(Br)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020004849	1	29	-1.0	-45.13	286.41	1.52	-43.61
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004850	0	39	-1.0	-44.31	317.16	5.75	-38.56
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004850	1	39	-1.0	-43.92	316.84	5.80	-38.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1	REAL300020004851	0	40	-1.0	-49.98	367.80	7.60	-42.38
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1	REAL300020004851	1	40	-1.0	-49.46	367.84	7.59	-41.87
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=CO2	REAL300020004852	0	48	-1.0	-54.88	401.32	5.31	-49.57
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=CO2	REAL300020004852	1	48	-1.0	-54.86	401.36	5.31	-49.55
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C21	REAL300020004853	0	54	-1.0	-49.83	414.93	5.77	-44.06
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C21	REAL300020004853	1	54	-1.0	-49.80	414.98	5.78	-44.02
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300020004854	0	38	-1.0	-46.59	337.57	7.72	-38.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300020004854	1	38	-1.0	-46.61	337.61	7.71	-38.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC2(CCCCC2)C1	REAL300020004855	0	47	-1.0	-46.38	358.02	5.89	-40.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC2(CCCCC2)C1	REAL300020004855	1	47	-1.0	-46.48	357.74	5.90	-40.58
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004856	0	43	-1.0	-53.05	369.69	8.35	-44.70
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004856	1	43	-1.0	-53.02	369.74	8.34	-44.68
CC1(C)CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020004857	0	40	-1.0	-49.26	326.88	4.14	-45.12
CC1(C)CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020004857	1	40	-1.0	-49.24	326.64	4.14	-45.10
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300020004858	0	42	-1.0	-48.56	348.90	8.23	-40.33
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300020004858	1	42	-1.0	-48.56	348.94	8.23	-40.33
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(F)=C1F	REAL300020004859	0	34	-1.0	-44.91	308.48	4.31	-40.60
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(F)=C1F	REAL300020004859	1	34	-1.0	-44.94	308.53	4.31	-40.63
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004860	0	39	-1.0	-53.24	335.04	5.02	-48.22
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004860	1	39	-1.0	-53.26	335.00	5.01	-48.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300020004861	0	32	-1.0	-44.41	314.92	4.73	-39.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300020004861	1	32	-1.0	-44.38	314.59	4.75	-39.63
O=C(CC1CCC(=O)NC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004862	0	36	-1.0	-58.65	307.89	2.42	-56.23
O=C(CC1CCC(=O)NC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004862	1	36	-1.0	-58.69	307.93	2.41	-56.28
CCN1N=C(Br)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020004863	0	32	-1.0	-44.62	308.27	2.35	-42.27
CCN1N=C(Br)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020004863	1	32	-1.0	-44.64	308.22	2.35	-42.29
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=N1	REAL300020004864	0	41	-1.0	-49.89	353.15	6.16	-43.73
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=N1	REAL300020004864	1	41	-1.0	-49.90	353.11	6.16	-43.74
CC(=O)NC1=C2C=CN(CC(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=CC=C1	REAL300020004865	0	44	-1.0	-59.57	380.23	5.95	-53.62
CC(=O)NC1=C2C=CN(CC(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=CC=C1	REAL300020004865	1	44	-1.0	-59.58	380.27	5.93	-53.65
CN1C(=O)NC2(CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC2)C1=O	REAL300020004866	0	45	-1.0	-51.28	368.19	2.89	-48.39
CN1C(=O)NC2(CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)C1=O	REAL300020004866	1	45	-1.0	-51.22	368.23	2.89	-48.33
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020004867	0	37	-1.0	-55.48	325.41	4.94	-50.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020004867	1	37	-1.0	-55.54	325.45	4.92	-50.62
CC1=C2NN=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=CC=C1	REAL300020004868	0	36	-1.0	-46.96	316.80	4.22	-42.74
CC1=C2NN=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=CC=C1	REAL300020004868	1	36	-1.0	-46.95	316.85	4.21	-42.74
CC1=C2NN=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=CC(Br)=C1	REAL300020004869	0	36	-1.0	-46.91	338.07	4.82	-42.09
CC1=C2NN=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=CC(Br)=C1	REAL300020004869	1	36	-1.0	-46.91	338.11	4.81	-42.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CCOCC2)O1	REAL300020004870	0	42	-1.0	-50.72	340.00	4.01	-46.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CCOCC2)O1	REAL300020004870	1	42	-1.0	-50.73	340.05	4.00	-46.73
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1Cl	REAL300020004871	0	36	-1.0	-45.48	320.52	6.53	-38.95
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1Cl	REAL300020004871	1	36	-1.0	-45.48	320.57	6.53	-38.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020004872	0	42	-1.0	-48.24	363.69	7.55	-40.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020004872	1	42	-1.0	-48.26	363.73	7.54	-40.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020004873	0	33	-1.0	-49.18	318.05	5.84	-43.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020004873	1	33	-1.0	-49.09	318.37	5.82	-43.27
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CC(C2CC2)=N1	REAL300020004874	0	40	-1.0	-52.22	341.36	5.55	-46.67
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CC(C2CC2)=N1	REAL300020004874	1	40	-1.0	-52.20	341.41	5.55	-46.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC2=NC=CN2C=C1	REAL300020004875	0	32	-1.0	-49.99	290.33	6.09	-43.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC2=NC=CN2C=C1	REAL300020004875	1	32	-1.0	-49.99	290.29	6.09	-43.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020004876	0	42	-1.0	-51.40	347.64	0.55	-50.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020004876	1	42	-1.0	-51.34	347.68	0.54	-50.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(I)C=CS1	REAL300020004877	0	27	-1.0	-45.24	282.03	4.99	-40.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(I)C=CS1	REAL300020004877	1	27	-1.0	-45.21	282.07	4.99	-40.22
CCCN1C=C(Cl)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020004878	0	36	-1.0	-47.68	329.80	4.81	-42.87
CCCN1C=C(Cl)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020004878	1	36	-1.0	-47.71	329.76	4.82	-42.89
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(Cl)N=C1C	REAL300020004879	0	35	-1.0	-50.00	312.51	4.73	-45.27
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(Cl)N=C1C	REAL300020004879	1	35	-1.0	-49.96	312.55	4.74	-45.22
COC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(F)(F)F	REAL300020004880	0	39	-1.0	-51.97	351.36	6.34	-45.63
COC(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(F)(F)F	REAL300020004880	1	39	-1.0	-52.01	351.41	6.33	-45.68
COC(=O)C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004881	0	39	-1.0	-53.33	329.36	5.09	-48.24
COC(=O)C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004881	1	39	-1.0	-53.34	329.40	5.09	-48.25
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300020004882	0	39	-1.0	-56.24	348.21	4.24	-52.00
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300020004882	1	39	-1.0	-56.36	348.25	4.24	-52.12
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020004883	0	42	-1.0	-46.11	367.72	7.44	-38.67
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020004883	1	42	-1.0	-46.14	367.68	7.46	-38.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=NC=CC=C2F)CC1	REAL300020004884	0	36	-1.0	-47.73	323.53	5.10	-42.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=NC=CC=C2F)CC1	REAL300020004884	1	36	-1.0	-47.77	323.44	5.12	-42.65
CC1=C(Cl)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL300020004885	0	30	-1.0	-47.29	285.92	2.41	-44.88
CC1=C(Cl)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300020004885	1	30	-1.0	-47.28	285.96	2.41	-44.87
CC1=NNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300020004885	1	30	-1.0	-45.66	284.91	2.48	-43.18
CC1=NNC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300020004885	1	30	-1.0	-45.64	284.87	2.49	-43.15
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004886	0	34	-1.0	-53.54	305.54	1.77	-51.77
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004886	1	34	-1.0	-53.50	305.58	1.77	-51.73
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C1=CC=C(F)C=C1)C1CC1	REAL300020004887	0	40	-1.0	-46.76	346.69	7.67	-39.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C1=CC=C(F)C=C1)C1CC1	REAL300020004887	1	40	-1.0	-46.68	346.73	7.68	-39.00
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2CCC2)=NO1	REAL300020004888	0	36	-1.0	-42.16	312.78	4.87	-37.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2CCC2)=NO1	REAL300020004888	1	36	-1.0	-42.20	312.82	4.87	-37.33
CC1=CC(C(F)(F)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300020004889	0	33	-1.0	-41.64	313.66	5.47	-36.17
CC1=CC(C(F)(F)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300020004889	1	33	-1.0	-41.62	313.71	5.46	-36.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CC(F)F)N=C1	REAL300020004890	0	33	-1.0	-48.55	306.07	3.78	-44.77
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CC(F)F)N=C1	REAL300020004890	1	33	-1.0	-48.57	306.03	3.79	-44.78
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004891	0	36	-1.0	-45.64	322.34	5.05	-40.59
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004891	1	36	-1.0	-45.63	322.39	5.04	-40.59
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(Cl)N=C1Cl	REAL300020004892	0	32	-1.0	-43.10	308.69	4.60	-38.50
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(Cl)N=C1Cl	REAL300020004892	1	32	-1.0	-43.12	308.65	4.61	-38.51
CC1=C(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(N2C=NN=N2)S1	REAL300020004893	0	38	-1.0	-55.57	348.03	5.35	-50.22
CC1=C(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(N2C=NN=N2)S1	REAL300020004893	1	38	-1.0	-55.55	347.98	5.36	-50.19
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=C(C4=N[N-]N=N4)C=C1)(C2)C3	REAL300020004894	0	50	-1.0	-44.48	377.84	7.83	-36.65
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=C(C4=NN=N[N-]4)C=C1)(C2)C3	REAL300020004894	1	50	-1.0	-44.50	377.88	7.82	-36.68
CN1C=C(C(F)(F)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020004895	0	33	-1.0	-45.82	305.03	3.49	-42.33
CN1C=C(C(F)(F)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020004895	1	33	-1.0	-45.71	305.29	3.49	-42.22
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCNC1=O	REAL300020004896	0	40	-1.0	-42.25	311.27	2.45	-39.80
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCNC1=O	REAL300020004896	1	40	-1.0	-41.94	310.03	2.40	-39.54
COC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)(F)F)=N1	REAL300020004897	0	35	-1.0	-50.34	320.68	0.77	-49.57
COC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C(F)(F)F)=N1	REAL300020004897	1	35	-1.0	-50.31	320.63	0.77	-49.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300020004898	0	35	-1.0	-49.51	320.98	5.64	-43.87
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300020004898	1	35	-1.0	-49.53	320.95	5.63	-43.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020004899	0	46	-1.0	-47.11	375.34	3.98	-43.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020004899	1	46	-1.0	-47.12	375.38	3.98	-43.14
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004900	0	52	0.0	-68.80	406.41	9.25	-59.55
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004900	1	52	0.0	-68.86	406.46	9.24	-59.62
CC1CN(CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)CCO1	REAL300020004901	0	49	-1.0	-46.91	395.65	4.53	-42.38
CC1CN(CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CCO1	REAL300020004901	1	49	-1.0	-46.93	395.69	4.53	-42.40
CCNC(=O)N1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004902	0	45	-1.0	-55.43	363.18	3.72	-51.71
CCNC(=O)N1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004902	1	45	-1.0	-55.44	363.22	3.72	-51.72
COC1=CC([C@@H](C)CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C	REAL300020004903	0	46	-1.0	-47.18	375.54	6.85	-40.33
COC1=CC([C@@H](C)CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C	REAL300020004903	1	46	-1.0	-47.17	375.58	6.84	-40.33
C#CC1=CC=CC(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004904	0	36	-1.0	-53.57	327.31	6.58	-46.99
C#CC1=CC=CC(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004904	1	36	-1.0	-53.56	327.35	6.57	-46.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC2(CCC2)C1	REAL300020004905	0	43	-1.0	-45.22	336.40	6.78	-38.44
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2(CCC2)C1	REAL300020004905	1	43	-1.0	-45.20	336.44	6.77	-38.43
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004906	0	46	-1.0	-47.53	384.23	6.99	-40.54
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004906	1	46	-1.0	-47.55	384.27	6.99	-40.56
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020004907	0	46	-1.0	-47.16	381.93	7.18	-39.98
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020004907	1	46	-1.0	-47.17	381.89	7.19	-39.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300020004908	0	44	-1.0	-49.45	379.26	8.14	-41.31
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300020004908	1	44	-1.0	-49.59	379.50	8.14	-41.45
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C=CC(C2CC2)=N1	REAL300020004909	0	43	-1.0	-55.77	357.26	6.31	-49.46
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C=CC(C2CC2)=N1	REAL300020004909	1	43	-1.0	-55.76	357.31	6.30	-49.46
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CCCCCCC21	REAL300020004910	0	46	-1.0	-45.32	342.56	7.09	-38.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCCCCCC21	REAL300020004910	1	46	-1.0	-45.32	342.32	7.10	-38.22
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL300020004911	0	53	-1.0	-50.18	411.67	6.03	-44.15
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL300020004911	1	53	-1.0	-50.08	412.43	6.02	-44.06
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1COC2	REAL300020004912	0	35	-1.0	-48.53	300.00	4.19	-44.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1COC2	REAL300020004912	1	35	-1.0	-48.61	300.04	4.19	-44.42
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCS1	REAL300020004913	0	37	-1.0	-46.75	302.70	5.75	-41.00
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCS1	REAL300020004913	1	37	-1.0	-46.70	302.74	5.75	-40.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN2CC3(CC3)CC2=C1	REAL300020004914	0	38	-1.0	-47.00	327.88	4.85	-42.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN2CC3(CC3)CC2=C1	REAL300020004914	1	38	-1.0	-46.92	327.92	4.84	-42.08
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004915	0	39	-1.0	-54.93	329.62	1.86	-53.07
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004915	1	39	-1.0	-54.92	329.66	1.85	-53.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=NC=C2)CC1	REAL300020004916	0	36	-1.0	-46.10	314.82	5.00	-41.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=NC=C2)CC1	REAL300020004916	1	36	-1.0	-46.10	314.81	5.01	-41.09
COC12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)C2	REAL300020004917	0	41	-1.0	-47.50	330.95	4.19	-43.31
COC12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)C2	REAL300020004917	1	41	-1.0	-47.52	330.99	4.19	-43.33
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020004918	0	52	-1.0	-52.89	413.45	8.43	-44.46
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020004918	1	52	-1.0	-52.92	413.49	8.42	-44.50
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004919	0	35	-1.0	-54.61	312.87	2.47	-52.14
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004919	1	35	-1.0	-54.63	312.91	2.47	-52.16
COC1CC(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004920	0	40	-1.0	-48.49	334.30	4.39	-44.10
COC1CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004920	1	40	-1.0	-48.54	334.06	4.39	-44.15
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004921	0	36	-1.0	-50.36	325.29	4.96	-45.40
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004921	1	36	-1.0	-50.36	325.31	4.96	-45.40
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N2C=CC=CC2=N1	REAL300020004922	0	36	-1.0	-48.43	318.13	5.75	-42.68
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N2C=CC=CC2=N1	REAL300020004922	1	36	-1.0	-48.43	318.17	5.74	-42.69
CC(C)CC1=NC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020004923	0	40	-1.0	-43.07	341.32	4.94	-38.13
CC(C)CC1=NC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020004923	1	40	-1.0	-43.09	341.36	4.94	-38.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC3CC(CC(C3)O1)C2	REAL300020004924	0	42	-1.0	-43.84	324.76	4.86	-38.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC3CC(CC(C3)O1)C2	REAL300020004924	1	42	-1.0	-43.83	324.80	4.85	-38.98
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CS2)CCOCC1	REAL300020004925	0	41	-1.0	-45.18	339.50	5.26	-39.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CS2)CCOCC1	REAL300020004925	1	41	-1.0	-45.18	339.54	5.26	-39.92
CC1=CC=C(C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2CC2)C=C1	REAL300020004926	0	43	-1.0	-46.58	356.21	8.41	-38.17
CC1=CC=C(C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2CC2)C=C1	REAL300020004926	1	43	-1.0	-46.63	356.27	8.40	-38.23
CN1C=C(Br)C(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020004927	0	34	-1.0	-52.91	327.54	2.45	-50.46
CN1C=C(Br)C(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020004927	1	34	-1.0	-52.90	327.51	2.46	-50.44
CC(C)(C)OC(=O)NCCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL300020004928	0	53	-1.0	-54.32	420.23	4.65	-49.67
CC(C)(C)OC(=O)NCCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300020004928	1	53	-1.0	-54.37	420.29	4.66	-49.71
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL300020004929	0	51	-1.0	-46.65	410.12	4.83	-41.82
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL300020004929	1	51	-1.0	-46.67	410.15	4.82	-41.85
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300020004930	0	52	0.0	-71.17	395.36	7.97	-63.20
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300020004930	1	52	0.0	-71.15	395.41	7.96	-63.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN2C=CC=NC2=C1Cl	REAL300020004931	0	32	-1.0	-53.37	307.30	4.20	-49.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN2C=CC=NC2=C1Cl	REAL300020004931	1	32	-1.0	-53.36	307.26	4.21	-49.15
CCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N2C=CC=CC2=N1	REAL300020004932	0	39	-1.0	-48.13	339.51	6.48	-41.65
CCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N2C=CC=CC2=N1	REAL300020004932	1	39	-1.0	-48.17	339.78	6.47	-41.70
CC1=CC(F)=CC=C1C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004933	0	40	-1.0	-45.02	343.08	7.33	-37.69
CC1=CC(F)=CC=C1C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004933	1	40	-1.0	-45.01	343.12	7.32	-37.69
CC1=CC=C(F)C=C1C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004934	0	40	-1.0	-43.77	343.24	7.27	-36.50
CC1=CC=C(F)C=C1C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004934	1	40	-1.0	-43.79	343.25	7.27	-36.52
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020004935	0	54	-1.0	-46.67	416.47	7.28	-39.39
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020004935	1	54	-1.0	-46.71	416.51	7.28	-39.43
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C12CC2	REAL300020004936	0	51	-1.0	-51.09	404.59	5.92	-45.17
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C12CC2	REAL300020004936	1	51	-1.0	-51.08	404.64	5.92	-45.16
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004937	0	50	-1.0	-50.03	409.78	4.35	-45.68
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004937	1	50	-1.0	-49.99	409.82	4.34	-45.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020004938	0	39	-1.0	-49.91	348.84	7.41	-42.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020004938	1	39	-1.0	-49.86	348.79	7.39	-42.47
COC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CN=C2C=C1	REAL300020004939	0	39	-1.0	-49.37	339.36	4.39	-44.98
COC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CN=C2C=C1	REAL300020004939	1	39	-1.0	-49.38	339.32	4.40	-44.98
CC1=C2NC=NC2=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004940	0	36	-1.0	-50.01	313.53	5.18	-44.83
CC1=C2NC=NC2=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004940	1	36	-1.0	-50.03	313.58	5.17	-44.86
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020004941	0	50	-1.0	-48.90	410.73	4.40	-44.50
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020004941	1	50	-1.0	-48.97	410.77	4.39	-44.58
CC(C)CCCOCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004942	0	42	-1.0	-48.92	347.48	5.70	-43.22
CC(C)CCCOCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004942	1	42	-1.0	-48.89	347.51	5.69	-43.20
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@H]12	REAL300020004943	0	48	-1.0	-48.94	395.35	4.36	-44.58
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@H]12	REAL300020004943	1	48	-1.0	-48.94	395.40	4.36	-44.58
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004944	0	46	-1.0	-49.23	393.45	8.02	-41.21
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004944	1	46	-1.0	-49.26	393.49	8.02	-41.24
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL300020004945	0	42	-1.0	-51.26	350.82	5.55	-45.71
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)C	REAL300020004945	1	42	-1.0	-51.20	351.02	5.52	-45.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CC2(CCC2)C1	REAL300020004946	0	37	-1.0	-42.22	312.92	5.78	-36.44
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CC2(CCC2)C1	REAL300020004946	1	37	-1.0	-42.21	312.96	5.77	-36.44
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=CC=CN2C(Br)=N1	REAL300020004947	0	33	-1.0	-48.38	316.33	5.97	-42.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=CC=CN2C(Br)=N1	REAL300020004947	1	33	-1.0	-48.37	316.29	5.97	-42.40
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCNC1=O	REAL300020004948	0	37	-1.0	-42.76	292.25	2.15	-40.61
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCNC1=O	REAL300020004948	1	37	-1.0	-42.79	292.28	2.15	-40.64
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020004949	0	54	-1.0	-53.85	418.67	6.14	-47.71
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020004949	1	54	-1.0	-53.81	418.72	6.14	-47.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC=C1C1CCC1	REAL300020004950	0	37	-1.0	-47.73	313.81	4.02	-43.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC=C1C1CCC1	REAL300020004950	1	37	-1.0	-47.76	313.85	4.00	-43.76
CC1CC(C)(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(C)O1	REAL300020004951	0	43	-1.0	-46.53	338.61	4.66	-41.87
CC1CC(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C)O1	REAL300020004951	1	43	-1.0	-46.58	338.65	4.66	-41.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300020004952	0	40	-1.0	-47.81	360.24	7.92	-39.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300020004952	1	40	-1.0	-47.83	360.28	7.92	-39.91
COCCN1C=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020004953	0	40	-1.0	-57.48	341.75	4.56	-52.92
COCCN1C=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020004953	1	40	-1.0	-57.42	341.79	4.56	-52.86
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300020004954	0	38	-1.0	-55.12	321.12	4.52	-50.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300020004954	1	38	-1.0	-54.97	321.43	4.50	-50.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300020004955	0	33	-1.0	-51.33	326.57	4.55	-46.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300020004955	1	33	-1.0	-51.36	326.53	4.57	-46.79
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12COC[C@H]1C2(F)F	REAL300020004957	0	32	-1.0	-45.54	287.72	2.69	-42.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12COC[C@H]1C2(F)F	REAL300020004957	1	32	-1.0	-45.54	287.74	2.68	-42.86
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004958	0	36	-1.0	-42.30	320.65	6.14	-36.16
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004958	1	36	-1.0	-42.33	320.71	6.13	-36.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN(C2CCC2)C1=O	REAL300020004959	0	40	-1.0	-52.78	332.50	5.88	-46.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN(C2CCC2)C1=O	REAL300020004959	1	40	-1.0	-52.81	332.54	5.88	-46.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020004960	0	35	-1.0	-56.05	330.25	5.35	-50.70
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020004960	1	35	-1.0	-56.05	330.20	5.35	-50.70
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020004961	0	33	-1.0	-42.66	311.75	5.75	-36.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020004961	1	33	-1.0	-42.60	311.79	5.74	-36.86
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020004962	0	33	-1.0	-45.80	311.18	5.73	-40.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020004962	1	33	-1.0	-45.78	311.23	5.72	-40.06
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004963	0	39	-1.0	-42.61	331.47	6.65	-35.96
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004963	1	39	-1.0	-42.59	331.51	6.65	-35.94
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004964	0	41	-1.0	-59.52	354.52	5.82	-53.70
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004964	1	41	-1.0	-59.54	354.48	5.83	-53.71
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004965	0	41	-1.0	-54.49	340.29	4.47	-50.02
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004965	1	41	-1.0	-54.44	340.33	4.46	-49.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=C2C=CSC2=C1	REAL300020004966	0	32	-1.0	-46.24	300.68	4.56	-41.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=C2C=CSC2=C1	REAL300020004966	1	32	-1.0	-46.20	300.64	4.57	-41.63
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1=O	REAL300020004967	0	47	-1.0	-51.45	391.83	7.54	-43.91
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1=O	REAL300020004967	1	47	-1.0	-51.48	391.87	7.54	-43.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020004968	0	32	-1.0	-45.21	317.28	4.85	-40.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020004968	1	32	-1.0	-45.26	317.24	4.85	-40.41
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004969	0	36	-1.0	-61.52	317.51	3.75	-57.77
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004969	1	36	-1.0	-61.55	317.55	3.75	-57.80
COC1=C2NC=C(CC(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=CC=C1	REAL300020004970	0	41	-1.0	-52.67	352.57	4.91	-47.76
COC1=C2NC=C(CC(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=CC=C1	REAL300020004970	1	41	-1.0	-52.65	352.61	4.90	-47.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020004971	0	34	-1.0	-45.34	323.21	5.40	-39.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020004971	1	34	-1.0	-45.30	323.25	5.39	-39.91
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1	REAL300020004972	0	42	-1.0	-52.22	362.65	6.70	-45.52
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1	REAL300020004972	1	42	-1.0	-52.25	362.69	6.70	-45.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(COCC2)N=C1Cl	REAL300020004973	0	37	-1.0	-49.59	328.15	3.60	-45.99
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(COCC2)N=C1Cl	REAL300020004973	1	37	-1.0	-49.52	328.19	3.60	-45.92
CC1=C(Br)C(=O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CN1C	REAL300020004974	0	36	-1.0	-53.70	325.35	5.34	-48.36
CC1=C(Br)C(=O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CN1C	REAL300020004974	1	36	-1.0	-53.72	325.39	5.34	-48.38
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004975	0	39	-1.0	-60.31	344.55	1.50	-58.81
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004975	1	39	-1.0	-60.32	344.60	1.50	-58.82
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020004976	0	47	-1.0	-46.84	391.70	8.94	-37.90
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020004976	1	47	-1.0	-46.86	391.74	8.93	-37.93
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=C1CCCC2	REAL300020004977	0	41	-1.0	-46.69	334.55	5.78	-40.91
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=C1CCCC2	REAL300020004977	1	41	-1.0	-46.69	334.59	5.77	-40.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(CC2CCC2)=CN1	REAL300020004978	0	41	-1.0	-47.82	344.87	6.24	-41.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(CC2CCC2)=CN1	REAL300020004978	1	41	-1.0	-47.85	344.91	6.23	-41.62
COC(=O)C1=CSC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004979	0	36	-1.0	-52.37	337.57	5.36	-47.01
COC(=O)C1=CSC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004979	1	36	-1.0	-52.36	337.61	5.35	-47.01
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300020004980	0	39	-1.0	-55.16	350.48	6.26	-48.90
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300020004980	1	39	-1.0	-55.28	350.25	6.26	-49.02
CCCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020004981	0	38	-1.0	-45.50	332.19	3.61	-41.89
CCCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020004981	1	38	-1.0	-45.50	332.15	3.62	-41.88
C[C@H]1C(=O)N(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[C@H]1C	REAL300020004982	0	39	-1.0	-52.21	332.44	3.66	-48.55
C[C@H]1C(=O)N(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[C@H]1C	REAL300020004982	1	39	-1.0	-52.18	332.48	3.65	-48.53
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1=O	REAL300020004983	0	47	-1.0	-51.38	393.21	7.31	-44.07
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1=O	REAL300020004983	1	47	-1.0	-51.41	393.26	7.30	-44.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CNC(=O)C2)CC1	REAL300020004984	0	44	-1.0	-53.55	348.11	2.98	-50.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CNC(=O)C2)CC1	REAL300020004984	1	44	-1.0	-53.54	348.15	2.99	-50.55
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(C)C	REAL300020004985	0	39	-1.0	-50.69	329.58	5.12	-45.57
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(C)C	REAL300020004985	1	39	-1.0	-50.66	329.67	5.11	-45.55
COC(=O)C1=C2CCCCC2=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300020004986	0	43	-1.0	-43.92	370.39	7.07	-36.85
COC(=O)C1=C2CCCCC2=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300020004986	1	43	-1.0	-43.93	370.44	7.06	-36.87
CCCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1C	REAL300020004987	0	39	-1.0	-47.15	335.01	4.70	-42.45
CCCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C	REAL300020004987	1	39	-1.0	-47.13	335.04	4.69	-42.44
CCCC1=NN(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020004988	0	39	-1.0	-45.79	329.72	4.98	-40.81
CCCC1=NN(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020004988	1	39	-1.0	-45.83	329.75	4.97	-40.86
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004989	0	45	0.0	-65.24	338.78	6.00	-59.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020004989	1	45	0.0	-65.07	338.57	6.00	-59.07
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1=O	REAL300020004990	0	47	-1.0	-56.23	390.59	7.32	-48.91
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1=O	REAL300020004990	1	47	-1.0	-56.24	390.63	7.31	-48.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2CCCCC2=NNC1=O	REAL300020004991	0	39	-1.0	-45.01	321.93	3.11	-41.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2CCCCC2=NNC1=O	REAL300020004991	1	39	-1.0	-45.05	321.98	3.12	-41.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300020004992	0	44	-1.0	-57.73	372.39	1.89	-55.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300020004992	1	44	-1.0	-57.76	372.44	1.90	-55.86
CC(C)CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL300020004993	0	38	-1.0	-43.11	328.55	5.10	-38.01
CC(C)CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL300020004993	1	38	-1.0	-43.06	328.59	5.09	-37.97
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004994	0	36	-1.0	-43.14	316.09	5.20	-37.94
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004994	1	36	-1.0	-43.10	316.14	5.20	-37.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(C2CCOCC2)S1	REAL300020004995	0	40	-1.0	-46.42	349.41	3.65	-42.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2CCOCC2)S1	REAL300020004995	1	40	-1.0	-46.43	349.45	3.64	-42.79
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020004996	0	35	-1.0	-43.04	316.18	3.45	-39.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020004996	1	35	-1.0	-43.09	316.22	3.44	-39.65
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN21	REAL300020004997	0	37	0.0	-66.46	318.34	6.58	-59.88
CC1=NC=C2C=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN21	REAL300020004997	1	36	-1.0	-47.86	314.92	6.14	-41.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2COCCC2=C1	REAL300020004998	0	37	-1.0	-46.04	315.20	3.17	-42.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2COCCC2=C1	REAL300020004998	1	37	-1.0	-45.99	315.23	3.17	-42.82
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004999	0	38	-1.0	-45.80	328.97	6.98	-38.82
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004999	1	38	-1.0	-45.83	329.02	6.97	-38.86
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1CC(F)(F)F	REAL300020005000	0	36	-1.0	-48.76	330.06	4.39	-44.37
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1CC(F)(F)F	REAL300020005000	1	36	-1.0	-48.77	330.11	4.39	-44.38
CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC(Cl)=C21	REAL300020005001	0	37	-1.0	-51.07	332.35	6.91	-44.16
CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC(Cl)=C21	REAL300020005001	1	37	-1.0	-51.06	332.39	6.90	-44.16
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020005002	0	39	-1.0	-42.78	344.10	6.62	-36.16
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020005002	1	39	-1.0	-42.82	344.07	6.62	-36.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CCOCC1	REAL300020005003	0	37	-1.0	-47.10	305.87	3.46	-43.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CCOCC1	REAL300020005003	1	37	-1.0	-46.82	305.63	3.46	-43.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(N2C=CC=N2)=N1	REAL300020005004	0	35	-1.0	-44.20	319.33	3.57	-40.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(N2C=CC=N2)=N1	REAL300020005004	1	35	-1.0	-44.23	319.28	3.56	-40.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC2=CN=CC=C21	REAL300020005005	0	35	-1.0	-46.95	309.56	5.43	-41.52
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC2=CN=CC=C21	REAL300020005005	1	35	-1.0	-46.93	309.52	5.44	-41.49
CN1N=NC=C1C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020005006	0	39	-1.0	-51.37	335.78	4.66	-46.71
CN1N=NC=C1C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020005006	1	39	-1.0	-51.36	335.82	4.66	-46.70
CC(=O)NC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020005007	0	40	-1.0	-55.28	337.81	5.48	-49.80
CC(=O)NC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020005007	1	40	-1.0	-55.24	337.85	5.47	-49.77
CCCC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1SC2=CC=CC=C2C1=O	REAL300020005008	0	45	-1.0	-58.13	389.48	8.51	-49.62
CCCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1SC2=CC=CC=C2C1=O	REAL300020005008	1	45	-1.0	-58.13	389.51	8.50	-49.63
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020005009	0	48	-1.0	-49.22	386.73	5.71	-43.51
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020005009	1	48	-1.0	-48.91	386.52	5.71	-43.20
CC1=C(F)C=CC=C1C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020005010	0	40	-1.0	-47.68	340.22	7.27	-40.41
CC1=C(F)C=CC=C1C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020005010	1	40	-1.0	-47.74	340.28	7.26	-40.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CS2)CCCC1	REAL300020005011	0	40	-1.0	-44.50	334.72	7.07	-37.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CS2)CCCC1	REAL300020005011	1	40	-1.0	-44.52	334.77	7.06	-37.46
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(COC2=CC=C(F)C=C2F)=C1	REAL300020005012	0	40	-1.0	-48.58	369.66	5.74	-42.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(COC2=CC=C(F)C=C2F)=C1	REAL300020005012	1	40	-1.0	-48.54	369.70	5.73	-42.81
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC(OC(F)(F)F)CC1	REAL300020013202	0	44	-1.0	-47.42	364.48	4.01	-43.41
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC(OC(F)(F)F)CC1	REAL300020013202	1	44	-1.0	-47.44	364.53	4.02	-43.42
O=C(CC1=CSC(Cl)=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013203	0	34	-1.0	-47.17	328.68	4.66	-42.51
O=C(CC1=CSC(Cl)=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013203	1	34	-1.0	-47.13	328.73	4.68	-42.45
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CCC(F)(CC1)C2	REAL300020013204	0	41	-1.0	-46.67	336.58	4.98	-41.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CCC(F)(CC1)C2	REAL300020013204	1	41	-1.0	-46.68	336.64	5.00	-41.68
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013205	0	44	-1.0	-47.53	370.46	6.47	-41.06
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013205	1	44	-1.0	-47.55	370.52	6.49	-41.06
COC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C(F)F)=N1	REAL300020013206	0	39	-1.0	-48.60	345.14	0.03	-48.57
COC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C(F)F)=N1	REAL300020013206	1	39	-1.0	-48.57	345.20	0.04	-48.53
CC(CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)CC(F)(F)F	REAL300020013207	0	39	-1.0	-48.13	334.22	4.47	-43.66
CC(CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)CC(F)(F)F	REAL300020013207	1	39	-1.0	-48.13	334.28	4.48	-43.65
CC1(C)CC2(CC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300020013208	0	44	-1.0	-44.86	359.79	5.94	-38.92
CC1(C)CC2(CC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300020013208	1	44	-1.0	-44.87	359.84	5.96	-38.91
O=C(CC1CCC2(CCCC2)CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013209	0	53	-1.0	-44.68	399.44	7.52	-37.16
O=C(CC1CCC2(CCCC2)CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013209	1	53	-1.0	-44.69	399.50	7.53	-37.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC12CCC2	REAL300020013210	0	44	-1.0	-44.58	348.68	5.68	-38.90
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC12CCC2	REAL300020013210	1	44	-1.0	-44.54	348.74	5.69	-38.85
CC1COC2=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=CC=C21	REAL300020013211	0	42	-1.0	-51.29	352.50	5.76	-45.53
CC1COC2=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=CC=C21	REAL300020013211	1	42	-1.0	-51.30	352.56	5.78	-45.52
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2=CC=CC=N2)S1	REAL300020013212	0	40	-1.0	-46.89	364.08	5.49	-41.40
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2=CC=CC=N2)S1	REAL300020013212	1	40	-1.0	-46.91	364.02	5.47	-41.44
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C2CCOCC2=C1	REAL300020013213	0	41	-1.0	-45.89	345.97	2.68	-43.21
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C2CCOCC2=C1	REAL300020013213	1	41	-1.0	-45.90	346.03	2.70	-43.20
O=C(CC1COCC2=CC=CC=C21)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013214	0	45	-1.0	-47.69	366.73	4.97	-42.72
O=C(CC1COCC2=CC=CC=C21)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013214	1	45	-1.0	-47.71	366.78	4.99	-42.72
CC1=NN=C2CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CN12	REAL300020013215	0	40	-1.0	-52.82	340.22	4.54	-48.28
CC1=NN=C2CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CN12	REAL300020013215	1	40	-1.0	-52.78	340.28	4.55	-48.23
O=C(CC1CCCCCC1(F)F)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013216	0	46	-1.0	-46.31	358.58	5.78	-40.53
O=C(CC1CCCCCC1(F)F)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013216	1	46	-1.0	-46.30	358.64	5.80	-40.50
CC12CC(CC(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(C1)CO2	REAL300020013217	0	42	-1.0	-48.94	344.28	3.31	-45.63
CC12CC(CC(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(C1)CO2	REAL300020013217	1	42	-1.0	-48.93	344.33	3.33	-45.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020013218	0	46	-1.0	-48.11	393.39	7.69	-40.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020013218	1	46	-1.0	-48.11	393.44	7.70	-40.41
CC1CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCS1(=O)=O	REAL300020013219	0	43	-1.0	-54.44	361.26	1.42	-53.02
CC1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCS1(=O)=O	REAL300020013219	1	43	-1.0	-54.43	361.32	1.44	-52.99
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL300020013220	0	47	-1.0	-45.10	358.19	6.08	-39.02
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL300020013220	1	47	-1.0	-45.07	358.25	6.10	-38.97
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300020013221	0	48	-1.0	-45.01	384.73	7.99	-37.02
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300020013221	1	48	-1.0	-45.01	384.79	8.01	-37.00
CC(C1CC1)N1CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1=O	REAL300020013222	0	48	-1.0	-53.09	391.55	5.03	-48.06
CC(C1CC1)N1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1=O	REAL300020013222	1	48	-1.0	-53.05	391.60	5.04	-48.01
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013223	0	51	-1.0	-55.98	414.64	4.22	-51.76
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013223	1	51	-1.0	-55.96	414.69	4.23	-51.73
CCC1=CN2CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CCC2=N1	REAL300020013224	0	47	-1.0	-47.81	384.58	5.90	-41.91
CCC1=CN2CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CCC2=N1	REAL300020013224	1	47	-1.0	-47.81	384.64	5.92	-41.89
O=C(CCC12CCC(CC1)C2)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013225	0	47	-1.0	-44.80	370.07	6.42	-38.38
O=C(CCC12CCC(CC1)C2)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013225	1	47	-1.0	-44.82	370.13	6.43	-38.39
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020013226	0	47	-1.0	-47.19	399.54	8.90	-38.29
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020013226	1	47	-1.0	-47.18	399.60	8.92	-38.26
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013227	0	42	-1.0	-52.43	344.69	1.63	-50.80
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013227	1	42	-1.0	-52.45	344.75	1.65	-50.80
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CC(N2C=CN=C2)=N1	REAL300020013228	0	39	-1.0	-45.81	347.05	4.36	-41.45
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CC(N2C=CN=C2)=N1	REAL300020013228	1	39	-1.0	-45.83	347.10	4.37	-41.46
CC1(C)CC2=CC=CC(CC(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2O1	REAL300020013229	0	48	-1.0	-48.60	399.03	6.33	-42.27
CC1(C)CC2=CC=CC(CC(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2O1	REAL300020013229	1	48	-1.0	-48.61	399.08	6.34	-42.27
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013230	0	46	-1.0	-56.18	400.96	6.19	-49.99
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013230	1	46	-1.0	-56.18	401.01	6.20	-49.98
CC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1C#N	REAL300020013231	0	37	-1.0	-46.37	332.22	3.51	-42.86
CC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1C#N	REAL300020013231	1	37	-1.0	-46.34	332.28	3.52	-42.82
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CCC(=O)O1	REAL300020013232	0	34	-1.0	-58.15	299.70	3.30	-54.85
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CCC(=O)O1	REAL300020013232	1	34	-1.0	-58.14	299.76	3.32	-54.82
CN1C=NC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2C1=O	REAL300020013233	0	42	-1.0	-56.80	363.58	5.12	-51.68
CN1C=NC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2C1=O	REAL300020013233	1	42	-1.0	-56.77	363.52	5.11	-51.66
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013234	0	47	-1.0	-47.50	389.11	2.20	-45.30
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013234	1	47	-1.0	-47.47	389.16	2.21	-45.26
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)C1CCC1	REAL300020013235	0	37	-1.0	-44.75	312.03	4.19	-40.56
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)C1CCC1	REAL300020013235	1	37	-1.0	-44.76	312.09	4.20	-40.56
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300020013236	0	34	-1.0	-43.47	335.76	5.48	-37.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300020013236	1	34	-1.0	-43.48	335.82	5.49	-37.99
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013237	0	48	-1.0	-57.70	405.54	5.57	-52.13
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013237	1	48	-1.0	-57.71	405.60	5.58	-52.13
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013238	0	53	-1.0	-44.40	420.54	3.43	-40.97
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013238	1	53	-1.0	-44.43	420.60	3.44	-40.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300020013239	0	41	-1.0	-46.16	357.04	1.06	-45.10
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300020013239	1	41	-1.0	-46.18	356.99	1.05	-45.13
CC1CCC(OCCCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013240	0	53	-1.0	-48.03	419.33	6.34	-41.69
CC1CCC(OCCCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013240	1	53	-1.0	-48.06	419.39	6.36	-41.70
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)C1CCOC1	REAL300020013241	0	38	-1.0	-45.55	318.88	2.20	-43.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)C1CCOC1	REAL300020013241	1	38	-1.0	-45.57	318.94	2.21	-43.36
CCC1(C)CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300020013242	0	44	-1.0	-48.46	356.03	4.61	-43.85
CCC1(C)CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300020013242	1	44	-1.0	-48.45	356.09	4.63	-43.82
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020013243	0	48	-1.0	-49.13	405.44	5.58	-43.55
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020013243	1	48	-1.0	-49.13	405.50	5.59	-43.54
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013244	0	45	-1.0	-54.75	375.12	5.32	-49.43
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013244	1	45	-1.0	-54.75	375.18	5.33	-49.42
CC1(C)C(=O)NC2CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CC21	REAL300020013245	0	51	-1.0	-49.84	398.59	2.91	-46.93
CC1(C)C(=O)NC2CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CC21	REAL300020013245	1	51	-1.0	-49.86	398.65	2.92	-46.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2SN=CC2=C1	REAL300020013246	0	36	-1.0	-46.94	328.40	4.64	-42.30
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2SN=CC2=C1	REAL300020013246	1	36	-1.0	-46.96	328.34	4.63	-42.33
CN1C=NC2=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC=C2C1=O	REAL300020013247	0	42	-1.0	-52.39	362.95	5.15	-47.24
CN1C=NC2=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC=C2C1=O	REAL300020013247	1	42	-1.0	-52.39	362.89	5.13	-47.26
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CN1N=CC=C1C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020013250	0	44	-1.0	-49.14	372.22	5.42	-43.72
CN1N=CC=C1C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020013250	1	44	-1.0	-49.14	372.16	5.41	-43.73
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CN1C=C(SCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020013256	0	38	-1.0	-49.93	345.15	3.43	-46.50
CN1C=C(SCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020013256	1	38	-1.0	-49.98	345.10	3.41	-46.57
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CN1C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=CC(Cl)=CC=C21	REAL300020013258	0	41	-1.0	-53.69	368.43	6.62	-47.07
CN1C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=CC(Cl)=CC=C21	REAL300020013258	1	41	-1.0	-53.67	368.49	6.63	-47.04
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CC1=CN2C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=CC2=N1	REAL300020013262	0	40	-1.0	-47.54	345.29	5.59	-41.95
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CC1=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C2C=CNC2=N1	REAL300020013263	1	39	-1.0	-46.98	340.16	3.54	-43.44
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013264	0	49	-1.0	-45.53	389.81	7.39	-38.14
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013264	1	49	-1.0	-45.54	389.87	7.41	-38.13
CC1(C)CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013265	0	49	-1.0	-43.40	363.56	5.95	-37.45
CC1(C)CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013265	1	49	-1.0	-43.38	363.62	5.97	-37.41
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013266	0	48	-1.0	-48.99	404.41	6.93	-42.06
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CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013267	0	49	-1.0	-45.23	371.96	6.25	-38.98
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013267	1	49	-1.0	-45.26	372.03	6.26	-39.00
CC(C)N1C=C(C2CC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020013268	0	47	-1.0	-46.57	394.03	5.68	-40.89
CC(C)N1C=C(C2CC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020013268	1	47	-1.0	-46.59	393.97	5.67	-40.92
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300020013269	0	41	-1.0	-51.55	361.31	4.99	-46.56
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300020013269	1	41	-1.0	-51.54	361.36	5.00	-46.54
COC1=CN=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013270	0	36	-1.0	-44.38	318.85	0.89	-43.49
COC1=CN=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013270	1	36	-1.0	-44.39	318.79	0.88	-43.51
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013271	0	37	-1.0	-44.36	325.63	4.44	-39.92
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013271	1	37	-1.0	-44.40	325.68	4.46	-39.94
CC1CC(=O)NCC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013272	0	41	-1.0	-48.71	339.04	1.16	-47.55
CC1CC(=O)NCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013272	1	41	-1.0	-48.72	339.10	1.17	-47.55
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013273	0	38	-1.0	-51.57	337.94	1.28	-50.29
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013273	1	38	-1.0	-51.58	337.99	1.29	-50.29
CN1N=C(Br)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300020013274	0	33	-1.0	-45.13	316.98	1.07	-44.06
CN1N=C(Br)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300020013274	1	33	-1.0	-45.08	316.93	1.05	-44.03
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013275	0	43	-1.0	-44.31	347.81	5.29	-39.02
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013275	1	43	-1.0	-44.31	347.87	5.31	-39.00
COC1(C#N)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300020013276	0	39	-1.0	-48.91	339.30	2.48	-46.43
COC1(C#N)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300020013276	1	39	-1.0	-48.89	339.35	2.50	-46.39
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300020013277	0	42	-1.0	-46.29	367.85	7.27	-39.02
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300020013277	1	42	-1.0	-46.28	367.91	7.28	-39.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCOC2(CCCCC2)C1	REAL300020013278	0	51	-1.0	-45.71	387.79	5.43	-40.28
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCOC2(CCCCC2)C1	REAL300020013278	1	51	-1.0	-45.76	387.85	5.44	-40.32
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013279	0	47	-1.0	-51.62	400.40	7.88	-43.74
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013279	1	47	-1.0	-51.61	400.45	7.90	-43.71
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013280	0	38	-1.0	-47.46	312.25	2.12	-45.34
C[C@@H]1OCC[C@@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013280	1	38	-1.0	-47.47	312.30	2.13	-45.34
CC1(C)CC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CO1	REAL300020013281	0	44	-1.0	-48.39	357.14	3.69	-44.70
CC1(C)CC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CO1	REAL300020013281	1	44	-1.0	-48.38	357.20	3.70	-44.68
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300020013282	0	46	-1.0	-47.14	379.52	7.76	-39.38
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300020013282	1	46	-1.0	-47.11	379.57	7.77	-39.34
COC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC(F)=C1F	REAL300020013283	0	38	-1.0	-44.29	339.00	3.86	-40.43
COC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC(F)=C1F	REAL300020013283	1	38	-1.0	-44.29	339.06	3.87	-40.42
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013284	0	43	-1.0	-51.78	365.30	4.58	-47.20
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013284	1	43	-1.0	-51.81	365.24	4.56	-47.25
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300020013285	0	36	-1.0	-44.21	344.42	4.21	-40.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300020013285	1	36	-1.0	-44.20	344.36	4.20	-40.00
O=C(CC1CCC(=O)NC1=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013286	0	40	-1.0	-57.18	338.13	1.96	-55.22
O=C(CC1CCC(=O)NC1=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013286	1	40	-1.0	-57.14	338.19	1.98	-55.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCCC(=O)C1	REAL300020013287	0	42	-1.0	-45.41	336.59	4.24	-41.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCCC(=O)C1	REAL300020013287	1	42	-1.0	-45.42	336.65	4.25	-41.17
CCN1N=C(Br)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300020013288	0	36	-1.0	-44.51	338.52	1.92	-42.59
CCN1N=C(Br)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300020013288	1	36	-1.0	-44.56	338.46	1.90	-42.66
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(Cl)=N1	REAL300020013289	0	45	-1.0	-49.53	383.69	5.71	-43.82
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(Cl)=N1	REAL300020013289	1	45	-1.0	-49.51	383.63	5.70	-43.81
CN1C(=O)NC2(CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CC2)C1=O	REAL300020013290	0	49	-1.0	-50.60	398.46	2.43	-48.17
CN1C(=O)NC2(CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CC2)C1=O	REAL300020013290	1	49	-1.0	-50.62	398.51	2.45	-48.17
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020013291	0	41	-1.0	-54.26	355.94	4.46	-49.80
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020013291	1	41	-1.0	-54.19	356.00	4.47	-49.72
CC1=C2NN=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C2=CC=C1	REAL300020013292	0	40	-1.0	-46.57	347.10	3.77	-42.80
CC1=C2NN=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C2=CC=C1	REAL300020013292	1	40	-1.0	-46.55	347.04	3.76	-42.79
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CCOCC2)O1	REAL300020013293	0	46	-1.0	-49.41	370.16	3.50	-45.91
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CCOCC2)O1	REAL300020013293	1	46	-1.0	-49.38	370.22	3.52	-45.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CCC2)O1	REAL300020013294	0	42	-1.0	-48.69	345.56	4.63	-44.06
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CCC2)O1	REAL300020013294	1	42	-1.0	-48.69	345.62	4.64	-44.05
CC1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013295	0	46	-1.0	-43.38	353.09	5.71	-37.67
CC1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013295	1	46	-1.0	-43.35	353.15	5.72	-37.63
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2CCC2=C1	REAL300020013296	0	38	-1.0	-46.38	324.73	5.79	-40.59
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2CCC2=C1	REAL300020013296	1	38	-1.0	-46.37	324.79	5.81	-40.56
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1Cl	REAL300020013297	0	40	-1.0	-44.25	351.21	6.08	-38.17
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1Cl	REAL300020013297	1	40	-1.0	-44.22	351.27	6.10	-38.12
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020013298	0	46	-1.0	-48.02	393.93	7.10	-40.92
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020013298	1	46	-1.0	-48.04	393.98	7.11	-40.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL300020013299	0	34	-1.0	-47.54	298.88	3.90	-43.64
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]1C(F)F	REAL300020013299	1	34	-1.0	-47.55	298.95	3.90	-43.65
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020013300	0	37	-1.0	-47.97	348.88	5.35	-42.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020013300	1	37	-1.0	-48.00	348.94	5.37	-42.63
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N1C=CC(C2CC2)=N1	REAL300020013301	0	44	-1.0	-51.50	372.05	5.10	-46.40
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N1C=CC(C2CC2)=N1	REAL300020013301	1	44	-1.0	-51.49	372.10	5.11	-46.38
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC2=NC=CN2C=C1	REAL300020013302	0	36	-1.0	-49.54	320.59	5.65	-43.89
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC2=NC=CN2C=C1	REAL300020013302	1	36	-1.0	-49.51	320.53	5.63	-43.88
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020013303	0	46	-1.0	-50.69	377.69	0.07	-50.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020013303	1	46	-1.0	-50.71	377.74	0.08	-50.63
CCCN1C=C(Cl)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300020013304	0	40	-1.0	-47.37	360.62	4.36	-43.01
CCCN1C=C(Cl)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300020013304	1	40	-1.0	-47.40	360.56	4.34	-43.06
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(Cl)N=C1C	REAL300020013305	0	39	-1.0	-49.59	343.03	4.26	-45.33
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(Cl)N=C1C	REAL300020013305	1	39	-1.0	-49.57	343.09	4.28	-45.29
COC(=O)C1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300020013306	0	43	-1.0	-49.16	358.36	4.61	-44.55
COC(=O)C1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300020013306	1	43	-1.0	-49.14	358.42	4.63	-44.51
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C21	REAL300020013307	0	43	-1.0	-55.94	378.45	3.80	-52.14
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C21	REAL300020013307	1	43	-1.0	-55.96	378.51	3.81	-52.15
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020013308	0	46	-1.0	-45.79	398.27	7.00	-38.79
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020013308	1	46	-1.0	-45.81	398.21	6.99	-38.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=NC=CC=C2F)CC1	REAL300020013309	0	40	-1.0	-46.04	353.64	4.57	-41.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=NC=CC=C2F)CC1	REAL300020013309	1	40	-1.0	-46.05	353.58	4.56	-41.49
CC1=C(Cl)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1	REAL300020013310	0	34	-1.0	-46.26	316.25	1.98	-44.28
CC1=C(Cl)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1	REAL300020013310	1	34	-1.0	-46.28	316.20	1.96	-44.32
CC1=NNC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300020013310	1	34	-1.0	-44.93	315.76	2.02	-42.91
CC1=NNC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300020013310	1	34	-1.0	-44.92	315.70	2.01	-42.91
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013311	0	38	-1.0	-52.90	336.05	1.31	-51.59
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013311	1	38	-1.0	-52.93	336.11	1.32	-51.61
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C1=CC=C(F)C=C1)C1CC1	REAL300020013312	0	44	-1.0	-45.52	377.22	7.21	-38.31
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C1=CC=C(F)C=C1)C1CC1	REAL300020013312	1	44	-1.0	-45.49	377.28	7.23	-38.26
N#CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC(=O)C1	REAL300020013313	0	34	-1.0	-46.34	309.62	2.63	-43.71
N#CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC(=O)C1	REAL300020013313	1	34	-1.0	-46.35	309.68	2.64	-43.71
CC12CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(C1)CCO2	REAL300020013314	0	42	-1.0	-45.09	338.47	3.23	-41.86
CC12CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(C1)CCO2	REAL300020013314	1	42	-1.0	-45.10	338.53	3.24	-41.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C2CCC2)=NO1	REAL300020013315	0	40	-1.0	-41.54	343.02	4.42	-37.12
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C2CCC2)=NO1	REAL300020013315	1	40	-1.0	-41.55	343.08	4.44	-37.11
CC1=CC(C(F)(F)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CS1	REAL300020013316	0	37	-1.0	-42.02	343.99	4.99	-37.03
CC1=CC(C(F)(F)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CS1	REAL300020013316	1	37	-1.0	-42.04	344.05	5.01	-37.03
CC(C)(C#N)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013317	0	40	-1.0	-52.80	337.66	4.20	-48.60
CC(C)(C#N)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013317	1	40	-1.0	-52.78	337.72	4.21	-48.57
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(CC(F)F)N=C1	REAL300020013318	0	37	-1.0	-47.43	336.63	3.34	-44.09
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(CC(F)F)N=C1	REAL300020013318	1	37	-1.0	-47.46	336.57	3.33	-44.13
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013319	0	40	-1.0	-45.96	352.87	4.58	-41.38
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013319	1	40	-1.0	-45.94	352.92	4.59	-41.35
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C(Cl)N=C1Cl	REAL300020013320	0	36	-1.0	-42.98	339.50	4.14	-38.84
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C(Cl)N=C1Cl	REAL300020013320	1	36	-1.0	-43.01	339.44	4.13	-38.88
CC1=C(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(N2C=NN=N2)S1	REAL300020013321	0	42	-1.0	-54.50	378.28	4.91	-49.59
CC1=C(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(N2C=NN=N2)S1	REAL300020013321	1	42	-1.0	-54.49	378.23	4.89	-49.60
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=C(OCC4=N[N-]N=N4)C=C1)(C2)C3	REAL300020013322	0	54	-1.0	-44.46	408.36	7.37	-37.09
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=C(OCC4=NN=N[N-]4)C=C1)(C2)C3	REAL300020013322	1	54	-1.0	-44.43	408.42	7.38	-37.05
CN1C=C(C(F)(F)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020013323	0	37	-1.0	-45.89	335.88	3.04	-42.85
CN1C=C(C(F)(F)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020013323	1	37	-1.0	-45.88	335.82	3.02	-42.86
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCCNC1=O	REAL300020013324	0	44	-1.0	-41.88	341.86	1.99	-39.89
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCCCNC1=O	REAL300020013324	1	44	-1.0	-41.86	341.92	2.01	-39.85
COC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C(F)(F)F)=N1	REAL300020013325	0	39	-1.0	-49.22	351.18	0.33	-48.89
COC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C(F)(F)F)=N1	REAL300020013325	1	39	-1.0	-49.25	351.13	0.32	-48.93
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300020013326	0	39	-1.0	-49.03	351.58	5.20	-43.83
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300020013326	1	39	-1.0	-49.04	351.52	5.18	-43.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC(C2CCC2)C1	REAL300020013327	0	44	-1.0	-45.54	356.38	6.08	-39.46
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC(C2CCC2)C1	REAL300020013327	1	44	-1.0	-45.53	356.44	6.09	-39.44
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020013328	0	50	-1.0	-46.85	405.87	3.51	-43.34
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020013328	1	50	-1.0	-46.84	405.93	3.52	-43.32
CCNC(=O)N1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013329	0	49	-1.0	-54.67	393.56	3.24	-51.43
CCNC(=O)N1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013329	1	49	-1.0	-54.67	393.62	3.25	-51.42
COC1=CC([C@@H](C)CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1C	REAL300020013330	0	50	-1.0	-45.81	405.78	6.40	-39.41
COC1=CC([C@@H](C)CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1C	REAL300020013330	1	50	-1.0	-45.80	405.84	6.41	-39.39
C#CC1=CC=CC(OCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013331	0	40	-1.0	-53.00	357.83	6.11	-46.89
C#CC1=CC=CC(OCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013331	1	40	-1.0	-53.02	357.89	6.13	-46.89
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC2(CCC2)C1	REAL300020013332	0	47	-1.0	-44.61	366.21	6.31	-38.30
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC2(CCC2)C1	REAL300020013332	1	47	-1.0	-44.59	366.26	6.33	-38.26
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013333	0	50	-1.0	-47.16	414.74	6.54	-40.62
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013333	1	50	-1.0	-47.18	414.80	6.56	-40.62
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020013334	0	50	-1.0	-46.44	416.92	6.69	-39.75
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020013334	1	50	-1.0	-46.42	416.86	6.67	-39.75
CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CCCC1	REAL300020013335	0	41	-1.0	-43.75	329.95	5.02	-38.73
CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CCCC1	REAL300020013335	1	41	-1.0	-43.76	330.01	5.03	-38.73
CC(C)(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N1C=CC(C2CC2)=N1	REAL300020013336	0	47	-1.0	-54.97	388.09	5.83	-49.14
CC(C)(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N1C=CC(C2CC2)=N1	REAL300020013336	1	47	-1.0	-54.96	388.15	5.84	-49.12
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC2CCCCCCC21	REAL300020013337	0	50	-1.0	-44.67	373.09	6.62	-38.05
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC2CCCCCCC21	REAL300020013337	1	50	-1.0	-44.67	373.15	6.64	-38.03
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=C1COC2	REAL300020013338	0	39	-1.0	-47.55	330.54	3.73	-43.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=C1COC2	REAL300020013338	1	39	-1.0	-47.56	330.60	3.74	-43.82
CC1CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCS1	REAL300020013339	0	41	-1.0	-45.68	333.36	5.37	-40.31
CC1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCS1	REAL300020013339	1	41	-1.0	-45.69	333.42	5.38	-40.31
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN2CC3(CC3)CC2=C1	REAL300020013340	0	42	-1.0	-46.29	358.47	4.39	-41.90
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN2CC3(CC3)CC2=C1	REAL300020013340	1	42	-1.0	-46.30	358.41	4.37	-41.93
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013341	0	43	-1.0	-53.52	359.88	1.40	-52.12
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013341	1	43	-1.0	-53.51	359.93	1.42	-52.09
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2CCC2)CC1	REAL300020013342	0	41	-1.0	-45.73	331.89	5.36	-40.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2CCC2)CC1	REAL300020013342	1	41	-1.0	-45.71	331.95	5.38	-40.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=NC=C2)CC1	REAL300020013343	0	40	-1.0	-45.67	343.05	4.40	-41.27
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=NC=C2)CC1	REAL300020013343	1	40	-1.0	-45.66	343.11	4.42	-41.24
COC12CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)(CC1)C2	REAL300020013344	0	45	-1.0	-47.03	361.19	3.74	-43.29
COC12CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)(CC1)C2	REAL300020013344	1	45	-1.0	-47.05	361.25	3.76	-43.29
CC(C)(F)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013345	0	39	-1.0	-45.41	327.15	4.21	-41.20
CC(C)(F)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013345	1	39	-1.0	-45.41	327.20	4.22	-41.19
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013346	0	39	-1.0	-53.80	343.38	2.01	-51.79
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013346	1	39	-1.0	-53.80	343.44	2.03	-51.77
COC1CC(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300020013347	0	44	-1.0	-47.82	364.84	3.93	-43.89
COC1CC(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300020013347	1	44	-1.0	-47.77	364.89	3.94	-43.83
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013348	0	40	-1.0	-50.00	356.19	4.50	-45.50
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013348	1	40	-1.0	-50.00	356.25	4.51	-45.49
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N2C=CC=CC2=N1	REAL300020013349	0	40	-1.0	-48.39	349.01	5.27	-43.12
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N2C=CC=CC2=N1	REAL300020013349	1	40	-1.0	-48.36	349.07	5.29	-43.07
CC(C)CC1=NC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300020013350	0	44	-1.0	-42.52	371.91	4.49	-38.03
CC(C)CC1=NC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300020013350	1	44	-1.0	-42.53	371.86	4.48	-38.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC3CC(CC(C3)O1)C2	REAL300020013351	0	46	-1.0	-45.48	352.60	4.37	-41.11
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC3CC(CC(C3)O1)C2	REAL300020013351	1	46	-1.0	-45.55	352.65	4.39	-41.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=CS2)CCOCC1	REAL300020013352	0	45	-1.0	-44.23	370.03	4.80	-39.43
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=CS2)CCOCC1	REAL300020013352	1	45	-1.0	-44.24	370.09	4.81	-39.43
CC1=CC=C(C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2CC2)C=C1	REAL300020013353	0	47	-1.0	-45.04	392.23	7.82	-37.22
CC1=CC=C(C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2CC2)C=C1	REAL300020013353	1	47	-1.0	-45.04	392.28	7.83	-37.21
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)CC2	REAL300020013354	0	56	0.0	-71.37	425.42	7.49	-63.88
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)CC2	REAL300020013354	1	56	0.0	-71.33	425.47	7.51	-63.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN2C=CC=NC2=C1Cl	REAL300020013355	0	36	-1.0	-52.47	337.56	3.77	-48.70
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN2C=CC=NC2=C1Cl	REAL300020013355	1	36	-1.0	-52.43	337.50	3.75	-48.68
CCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N2C=CC=CC2=N1	REAL300020013356	0	43	-1.0	-49.27	359.21	6.22	-43.05
CCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N2C=CC=CC2=N1	REAL300020013356	1	43	-1.0	-49.26	359.27	6.23	-43.03
CC1=CC(F)=CC=C1C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013357	0	44	-1.0	-44.00	373.62	6.86	-37.14
CC1=CC(F)=CC=C1C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013357	1	44	-1.0	-44.05	373.68	6.87	-37.18
CC1=CC=C(F)C=C1C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013358	0	44	-1.0	-42.81	373.78	6.82	-35.99
CC1=CC=C(F)C=C1C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013358	1	44	-1.0	-42.84	373.84	6.84	-36.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020013359	0	43	-1.0	-48.35	376.08	6.82	-41.53
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020013359	1	43	-1.0	-48.36	376.14	6.84	-41.52
COC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=CC=CN=C2C=C1	REAL300020013360	0	43	-1.0	-48.48	369.92	3.94	-44.54
COC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=CC=CN=C2C=C1	REAL300020013360	1	43	-1.0	-48.47	369.86	3.93	-44.54
CC1=C2NC=NC2=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013361	0	40	-1.0	-48.93	344.07	4.70	-44.23
CC1=C2NC=NC2=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013361	1	40	-1.0	-48.94	344.13	4.72	-44.22
CCC1=C(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NO1	REAL300020013362	0	39	-1.0	-42.86	336.12	3.95	-38.91
CCC1=C(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NO1	REAL300020013362	1	39	-1.0	-42.85	336.06	3.94	-38.91
CC(C)CCCOCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013363	0	46	-1.0	-48.36	378.28	5.24	-43.12
CC(C)CCCOCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013363	1	46	-1.0	-48.37	378.34	5.26	-43.11
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C)C	REAL300020013364	0	46	-1.0	-48.92	379.25	5.29	-43.63
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C)C	REAL300020013364	1	46	-1.0	-48.91	379.31	5.31	-43.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(F)CC2(CCC2)C1	REAL300020013365	0	41	-1.0	-41.40	343.38	5.31	-36.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(F)CC2(CCC2)C1	REAL300020013365	1	41	-1.0	-41.39	343.44	5.32	-36.07
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCCNC1=O	REAL300020013366	0	41	-1.0	-43.46	323.38	1.68	-41.78
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCCNC1=O	REAL300020013366	1	41	-1.0	-43.46	323.44	1.69	-41.77
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC=C1C1CCC1	REAL300020013367	0	41	-1.0	-46.74	344.39	3.56	-43.18
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC=C1C1CCC1	REAL300020013367	1	41	-1.0	-46.75	344.33	3.55	-43.20
CC1CC(C)(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC(C)O1	REAL300020013368	0	47	-1.0	-45.93	369.12	4.20	-41.73
CC1CC(C)(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC(C)O1	REAL300020013368	1	47	-1.0	-45.94	369.18	4.22	-41.72
COCCN1C=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1=O	REAL300020013369	0	44	-1.0	-56.18	372.28	4.09	-52.09
COCCN1C=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1=O	REAL300020013369	1	44	-1.0	-56.16	372.34	4.11	-52.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300020013370	0	42	-1.0	-54.36	351.88	4.01	-50.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300020013370	1	42	-1.0	-54.32	351.93	4.03	-50.29
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@]12COC[C@H]1C2(F)F	REAL300020013372	0	36	-1.0	-44.58	319.29	2.23	-42.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@]12COC[C@H]1C2(F)F	REAL300020013372	1	36	-1.0	-44.59	319.35	2.24	-42.35
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013373	0	40	-1.0	-41.96	351.33	5.69	-36.27
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013373	1	40	-1.0	-41.94	351.39	5.71	-36.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CN(C2CCC2)C1=O	REAL300020013374	0	44	-1.0	-51.61	363.04	5.41	-46.20
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CN(C2CCC2)C1=O	REAL300020013374	1	44	-1.0	-51.57	363.10	5.42	-46.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020013375	0	39	-1.0	-56.03	359.73	4.91	-51.12
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020013375	1	39	-1.0	-56.05	359.67	4.90	-51.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020013376	0	37	-1.0	-42.27	342.29	5.28	-36.99
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020013376	1	37	-1.0	-42.29	342.34	5.29	-37.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020013377	0	37	-1.0	-45.40	342.17	5.27	-40.13
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020013377	1	37	-1.0	-45.43	342.23	5.29	-40.14
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013378	0	43	-1.0	-42.77	362.42	6.20	-36.57
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013378	1	43	-1.0	-42.77	362.47	6.21	-36.56
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013379	0	45	-1.0	-58.75	385.28	5.43	-53.32
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013379	1	45	-1.0	-58.75	385.22	5.41	-53.34
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013380	0	45	-1.0	-53.57	371.08	4.00	-49.57
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013380	1	45	-1.0	-53.56	371.14	4.01	-49.55
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC=C2C=CSC2=C1	REAL300020013381	0	36	-1.0	-45.88	331.23	4.12	-41.76
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC=C2C=CSC2=C1	REAL300020013381	1	36	-1.0	-45.96	331.17	4.11	-41.85
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020013382	0	36	-1.0	-44.67	347.85	4.40	-40.27
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020013382	1	36	-1.0	-44.67	347.79	4.38	-40.29
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013383	0	40	-1.0	-61.62	348.03	3.29	-58.33
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013383	1	40	-1.0	-61.66	348.09	3.31	-58.35
COC1=C2NC=C(CC(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C2=CC=C1	REAL300020013384	0	45	-1.0	-51.56	383.09	4.45	-47.11
COC1=C2NC=C(CC(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C2=CC=C1	REAL300020013384	1	45	-1.0	-51.53	383.15	4.46	-47.07
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020013385	0	38	-1.0	-44.59	353.51	4.95	-39.64
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020013385	1	38	-1.0	-44.57	353.45	4.94	-39.63
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C)=C1	REAL300020013386	0	46	-1.0	-51.35	393.16	6.24	-45.11
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C)=C1	REAL300020013386	1	46	-1.0	-51.37	393.22	6.26	-45.11
O=C(CN1C=NC=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013387	0	33	-1.0	-56.52	296.71	3.99	-52.53
O=C(CN1C=NC=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013387	1	33	-1.0	-56.52	296.66	3.98	-52.54
COCC(C)(O)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013388	0	41	-1.0	-47.18	338.44	0.94	-46.24
COCC(C)(O)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013388	1	41	-1.0	-47.16	338.50	0.96	-46.20
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=C(COCC2)N=C1Cl	REAL300020013389	0	41	-1.0	-49.22	358.39	3.15	-46.07
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C(COCC2)N=C1Cl	REAL300020013389	1	41	-1.0	-49.25	358.45	3.16	-46.09
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013390	0	43	-1.0	-60.07	374.87	1.06	-59.01
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013390	1	43	-1.0	-60.06	374.81	1.05	-59.01
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)NC2=C1CCCC2	REAL300020013391	0	45	-1.0	-45.69	365.15	5.32	-40.37
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)NC2=C1CCCC2	REAL300020013391	1	45	-1.0	-45.73	365.09	5.31	-40.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(CC2CCC2)=CN1	REAL300020013392	0	45	-1.0	-47.48	375.74	5.77	-41.71
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(CC2CCC2)=CN1	REAL300020013392	1	45	-1.0	-47.46	375.68	5.76	-41.70
COC(=O)C1=CSC(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013393	0	40	-1.0	-51.17	368.08	4.90	-46.27
COC(=O)C1=CSC(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013393	1	40	-1.0	-51.17	368.14	4.91	-46.26
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300020013394	0	43	-1.0	-54.35	381.02	5.80	-48.55
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300020013394	1	43	-1.0	-54.34	381.07	5.81	-48.53
CCC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CS1	REAL300020013395	0	37	-1.0	-44.54	326.42	4.92	-39.62
CCC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CS1	REAL300020013395	1	37	-1.0	-44.54	326.48	4.93	-39.61
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300020013396	0	43	0.0	-69.13	346.78	4.58	-64.55
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300020013396	1	43	0.0	-69.16	346.84	4.60	-64.56
CCCCN1C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)N=N1	REAL300020013397	0	42	-1.0	-44.92	362.74	3.16	-41.76
CCCCN1C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)N=N1	REAL300020013397	1	42	-1.0	-44.91	362.68	3.15	-41.76
C[C@H]1C(=O)N(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[C@H]1C	REAL300020013398	0	43	-1.0	-51.70	362.69	3.20	-48.50
C[C@H]1C(=O)N(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[C@H]1C	REAL300020013398	1	43	-1.0	-51.72	362.75	3.22	-48.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC2(CNC(=O)C2)CC1	REAL300020013399	0	48	-1.0	-50.24	378.72	2.49	-47.75
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2(CNC(=O)C2)CC1	REAL300020013399	1	48	-1.0	-50.23	378.77	2.50	-47.73
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1(C)C	REAL300020013400	0	43	-1.0	-49.62	358.63	4.68	-44.94
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1(C)C	REAL300020013400	1	43	-1.0	-49.62	358.68	4.70	-44.92
CCCC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1C	REAL300020013401	0	43	-1.0	-46.86	365.58	4.25	-42.61
CCCC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1C	REAL300020013401	1	43	-1.0	-46.87	365.52	4.24	-42.63
CCCC1=NN(C)C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013402	0	43	-1.0	-44.36	360.81	4.29	-40.07
CCCC1=NN(C)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013402	1	43	-1.0	-44.34	360.87	4.31	-40.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013403	0	49	0.0	-64.04	369.48	5.54	-58.50
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013403	1	49	0.0	-64.05	369.54	5.55	-58.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2CCCCC2=NNC1=O	REAL300020013404	0	43	-1.0	-44.49	352.48	2.66	-41.83
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2CCCCC2=NNC1=O	REAL300020013404	1	43	-1.0	-44.47	352.53	2.68	-41.79
CC(C)CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NO1	REAL300020013405	0	42	-1.0	-42.48	357.82	4.60	-37.88
CC(C)CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NO1	REAL300020013405	1	42	-1.0	-42.48	357.76	4.59	-37.89
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013406	0	40	-1.0	-42.58	346.70	4.76	-37.82
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013406	1	40	-1.0	-42.54	346.64	4.74	-37.80
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C(C2CCOCC2)S1	REAL300020013407	0	44	-1.0	-46.35	380.22	3.18	-43.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C(C2CCOCC2)S1	REAL300020013407	1	44	-1.0	-46.36	380.28	3.19	-43.17
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020013408	0	39	-1.0	-42.50	346.41	3.00	-39.50
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020013408	1	39	-1.0	-42.52	346.46	3.01	-39.51
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CN21	REAL300020013409	0	41	0.0	-65.41	348.60	6.15	-59.26
CC1=NC=C2C=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CN21	REAL300020013409	1	40	-1.0	-47.75	345.18	5.71	-42.04
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C2COCCC2=C1	REAL300020013410	0	41	-1.0	-45.85	345.99	2.69	-43.16
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C2COCCC2=C1	REAL300020013410	1	41	-1.0	-45.82	346.05	2.70	-43.12
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013411	0	42	-1.0	-45.45	359.54	6.51	-38.94
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013411	1	42	-1.0	-45.47	359.60	6.52	-38.95
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1CC(F)(F)F	REAL300020013412	0	40	-1.0	-48.10	360.36	3.96	-44.14
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1CC(F)(F)F	REAL300020013412	1	40	-1.0	-48.13	360.30	3.94	-44.19
CN1C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=CC=CC(Cl)=C21	REAL300020013413	0	41	-1.0	-49.71	362.88	6.42	-43.29
CN1C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=CC=CC(Cl)=C21	REAL300020013413	1	41	-1.0	-49.73	362.94	6.44	-43.29
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013414	0	43	-1.0	-42.41	374.67	6.18	-36.23
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013414	1	43	-1.0	-42.40	374.61	6.16	-36.24
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(F)C1CCOCC1	REAL300020013415	0	41	-1.0	-46.11	340.58	2.94	-43.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(F)C1CCOCC1	REAL300020013415	1	41	-1.0	-46.12	340.64	2.95	-43.17
CCC1=CC=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020013416	0	39	-1.0	-45.00	337.27	4.15	-40.85
CCC1=CC=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020013416	1	39	-1.0	-45.02	337.22	4.14	-40.88
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CC(N2C=CC=N2)=N1	REAL300020013417	0	39	-1.0	-44.16	349.88	3.11	-41.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CC(N2C=CC=N2)=N1	REAL300020013417	1	39	-1.0	-44.14	349.82	3.10	-41.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC2=CN=CC=C21	REAL300020013418	0	39	-1.0	-45.97	339.85	4.99	-40.98
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC2=CN=CC=C21	REAL300020013418	1	39	-1.0	-45.96	339.80	4.98	-40.98
CN1N=NC=C1C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020013419	0	43	-1.0	-51.09	366.31	4.20	-46.89
CN1N=NC=C1C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020013419	1	43	-1.0	-51.09	366.37	4.21	-46.88
CC(C)(CCC#N)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013420	0	40	-1.0	-52.67	335.20	4.34	-48.33
CC(C)(CCC#N)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013420	1	40	-1.0	-52.68	335.26	4.36	-48.32
CC(=O)NC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020013421	0	44	-1.0	-53.70	368.36	5.01	-48.69
CC(=O)NC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020013421	1	44	-1.0	-53.68	368.41	5.02	-48.66
CC(C)(F)C(C)(F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020013422	0	39	-1.0	-44.17	325.32	3.95	-40.22
CC(C)(F)C(C)(F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020013422	1	39	-1.0	-44.15	325.38	3.97	-40.18
CC1=C(F)C=CC=C1C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013423	0	44	-1.0	-46.37	370.73	6.79	-39.58
CC1=C(F)C=CC=C1C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013423	1	44	-1.0	-46.39	370.79	6.80	-39.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1(C2=CC=CS2)CCCC1	REAL300020013424	0	44	-1.0	-44.32	365.26	6.60	-37.72
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1(C2=CC=CS2)CCCC1	REAL300020013424	1	44	-1.0	-44.32	365.32	6.61	-37.71
CC(C)CN(CC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017202	0	38	-1.0	-42.05	317.49	1.71	-40.34
CC(C)CN(CC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017202	1	38	-1.0	-42.05	317.56	1.71	-40.34
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC1CCCO1	REAL300020017203	0	46	-1.0	-51.35	368.64	7.15	-44.20
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC1CCCO1	REAL300020017203	1	46	-1.0	-51.36	368.70	7.17	-44.19
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CC1=CC=CC=C1)CC1CCCO1	REAL300020017204	0	46	-1.0	-39.72	374.65	8.02	-31.70
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CC1=CC=CC=C1)CC1CCCO1	REAL300020017204	1	46	-1.0	-39.72	374.73	8.02	-31.70
O=C(CCCC1=N[N-]N=N1)NNC1=CC=C(C(F)(F)F)N=N1	REAL300020017205	0	32	-1.0	-47.75	302.73	2.19	-45.56
O=C(CCCC1=NN=N[N-]1)NNC1=CC=C(C(F)(F)F)N=N1	REAL300020017205	1	32	-1.0	-47.76	302.79	2.20	-45.56
O=C(CCCC1=NN=N[N-]1)NCCC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300020017206	0	41	-1.0	-51.73	381.84	5.59	-46.14
O=C(CCCC1=N[N-]N=N1)NCCC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300020017206	1	41	-1.0	-51.72	381.79	5.57	-46.15
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1NC(=O)OC(C)(C)C	REAL300020017207	0	55	-1.0	-47.90	420.03	5.03	-42.87
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1NC(=O)OC(C)(C)C	REAL300020017207	1	55	-1.0	-47.91	420.08	5.04	-42.87
N#CC1=CC=CC(C2CN(C(=O)CCCC3=N[N-]N=N3)CCO2)=C1	REAL300020017208	0	41	-1.0	-51.34	348.89	5.40	-45.94
N#CC1=CC=CC(C2CN(C(=O)CCCC3=NN=N[N-]3)CCO2)=C1	REAL300020017208	1	41	-1.0	-51.36	348.95	5.42	-45.94
N#CC1=CC=CC(C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCO2)=C1	REAL300020017209	0	41	-1.0	-38.08	356.54	5.64	-32.44
N#CC1=CC=CC(C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCO2)=C1	REAL300020017209	1	41	-1.0	-39.71	356.64	5.67	-34.04
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=N[N-]N=N1	REAL300020017210	0	42	-1.0	-57.47	363.52	5.19	-52.28
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=NN=N[N-]1	REAL300020017210	1	42	-1.0	-57.47	363.58	5.20	-52.27
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017211	0	42	-1.0	-43.82	371.20	5.58	-38.24
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017211	1	42	-1.0	-43.79	371.27	5.61	-38.18
CCOC(=O)CC(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017212	0	40	-1.0	-38.61	343.36	3.34	-35.27
CCOC(=O)CC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017212	1	40	-1.0	-38.56	343.43	3.35	-35.21
CC(C)C1=CC(Br)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020017213	0	38	-1.0	-46.15	331.32	6.14	-40.01
CC(C)C1=CC(Br)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020017213	1	38	-1.0	-46.17	331.38	6.15	-40.02
CC(C)C1=CC(Br)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017214	0	38	-1.0	-34.01	341.97	5.93	-28.08
CC(C)C1=CC(Br)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017214	1	38	-1.0	-34.01	341.90	5.93	-28.08
CC(C)(C)OC(=O)N1CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300020017215	0	46	-1.0	-51.70	374.61	2.84	-48.86
CC(C)(C)OC(=O)N1CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300020017215	1	46	-1.0	-51.73	374.67	2.85	-48.88
CC(C)(C)OC(=O)N1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020017216	0	46	-1.0	-40.56	385.19	2.64	-37.92
CC(C)(C)OC(=O)N1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017216	1	46	-1.0	-40.52	385.26	2.64	-37.88
CCCC1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020017217	0	34	-1.0	-35.22	312.48	3.47	-31.75
CCCC1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020017217	1	34	-1.0	-35.23	312.55	3.47	-31.76
COC1=CC=CC=C1C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020017218	0	45	-1.0	-51.13	380.50	5.23	-45.90
COC1=CC=CC=C1C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020017218	1	45	-1.0	-51.16	380.55	5.25	-45.91
COC1=CC=CC=C1C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL300020017219	0	45	-1.0	-40.35	383.47	5.09	-35.26
COC1=CC=CC=C1C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL300020017219	1	45	-1.0	-40.36	383.53	5.12	-35.24
COC(=O)CCC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020017220	0	47	-1.0	-49.87	388.38	6.48	-43.39
COC(=O)CCC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020017220	1	47	-1.0	-49.85	388.44	6.49	-43.36
COC(=O)CCC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017221	0	47	-1.0	-38.77	398.68	6.44	-32.33
COC(=O)CCC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017221	1	47	-1.0	-38.78	398.75	6.44	-32.34
CC(C)(C)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020017222	0	45	-1.0	-34.91	353.53	3.50	-31.41
CC(C)(C)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020017222	1	45	-1.0	-34.89	353.60	3.50	-31.39
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCO1	REAL300020017223	0	39	-1.0	-35.23	319.76	2.18	-33.05
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCO1	REAL300020017223	1	39	-1.0	-35.24	319.83	2.18	-33.06
CC[C@H](C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020017224	0	49	-1.0	-44.93	379.88	5.55	-39.38
CC[C@H](C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020017224	1	49	-1.0	-44.98	379.93	5.56	-39.42
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300020017225	0	49	-1.0	-36.43	390.73	5.39	-31.04
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300020017225	1	49	-1.0	-36.40	390.79	5.39	-31.01
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2=CC=C(OC(F)F)C=C2)C1	REAL300020017226	0	44	-1.0	-50.70	367.29	4.61	-46.09
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2=CC=C(OC(F)F)C=C2)C1	REAL300020017226	1	44	-1.0	-50.69	367.35	4.63	-46.06
CC(C)C(=O)NCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017227	0	41	-1.0	-43.00	345.60	2.82	-40.18
CC(C)C(=O)NCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017227	1	41	-1.0	-42.99	345.68	2.85	-40.14
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NN1CCCOC1=CC=C(F)C=C1	REAL300020017228	0	49	-1.0	-52.72	414.96	6.88	-45.84
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NN1CCCOC1=CC=C(F)C=C1	REAL300020017228	1	49	-1.0	-52.79	415.01	6.89	-45.90
O=C(CCCC1=N[N-]N=N1)NC1CCC2SCCSC12	REAL300020017229	0	38	-1.0	-47.45	326.19	4.59	-42.86
O=C(CCCC1=NN=N[N-]1)NC1CCC2SCCSC12	REAL300020017229	1	38	-1.0	-47.42	326.24	4.60	-42.82
O=C(NC1CCC2SCCSC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017230	0	38	-1.0	-35.97	334.59	4.65	-31.32
O=C(NC1CCC2SCCSC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017230	1	38	-1.0	-35.94	334.65	4.66	-31.28
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCN1CC(F)(F)F	REAL300020017231	0	40	-1.0	-46.70	325.31	2.93	-43.77
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCN1CC(F)(F)F	REAL300020017231	1	40	-1.0	-46.66	325.36	2.94	-43.72
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCN1CC(F)(F)F	REAL300020017232	0	40	-1.0	-36.96	324.07	2.58	-34.38
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCN1CC(F)(F)F	REAL300020017232	1	40	-1.0	-37.01	324.14	2.58	-34.43
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1OC(F)F	REAL300020017233	0	39	-1.0	-50.50	340.05	4.07	-46.43
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL300020017233	1	39	-1.0	-50.50	340.11	4.09	-46.41
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1OC(F)F	REAL300020017234	0	39	-1.0	-38.17	350.63	3.86	-34.31
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1OC(F)F	REAL300020017234	1	39	-1.0	-38.21	350.70	3.87	-34.34
C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1OC(F)F	REAL300020017235	0	39	-1.0	-50.35	340.03	4.06	-46.29
C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL300020017235	1	39	-1.0	-50.41	340.09	4.07	-46.34
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1OC(F)F	REAL300020017236	0	39	-1.0	-38.17	350.62	3.85	-34.32
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1OC(F)F	REAL300020017236	1	39	-1.0	-38.10	350.69	3.87	-34.23
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CN=C1OCC(F)F	REAL300020017237	0	38	-1.0	-53.14	340.03	1.50	-51.64
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CN=C1OCC(F)F	REAL300020017237	1	38	-1.0	-53.14	339.97	1.49	-51.65
O=C(NCC1=CC=CN=C1OCC(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017238	0	38	-1.0	-42.73	350.57	1.28	-41.45
O=C(NCC1=CC=CN=C1OCC(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017238	1	38	-1.0	-42.65	350.64	1.28	-41.37
O=C(CCCC1=N[N-]N=N1)NCC1C2CC3CC(C2)CC1C3	REAL300020017239	0	46	-1.0	-46.39	335.13	5.35	-41.04
O=C(CCCC1=NN=N[N-]1)NCC1C2CC3CC(C2)CC1C3	REAL300020017239	1	46	-1.0	-46.43	335.19	5.36	-41.07
O=C(NCC1C2CC3CC(C2)CC1C3)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017240	0	46	-1.0	-34.76	345.72	5.13	-29.63
O=C(NCC1C2CC3CC(C2)CC1C3)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017240	1	46	-1.0	-34.73	345.77	5.14	-29.59
O=C(NC1=CC=CC(C2=CNN=C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017241	0	36	-1.0	-40.63	321.09	3.13	-37.50
O=C(NC1=CC=CC(C2=CNN=C2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017241	1	36	-1.0	-40.62	321.03	3.13	-37.49
CCCCCN1C=C(CNC(=O)CCCC2=N[N-]N=N2)C(C)=N1	REAL300020017242	0	47	-1.0	-48.24	388.34	4.98	-43.26
CCCCCN1C=C(CNC(=O)CCCC2=NN=N[N-]2)C(C)=N1	REAL300020017242	1	47	-1.0	-48.26	388.39	5.00	-43.26
CCCCCN1C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=N1	REAL300020017243	0	47	-1.0	-38.69	399.84	4.82	-33.87
CCCCCN1C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=N1	REAL300020017243	1	47	-1.0	-38.68	399.91	4.82	-33.86
CCOC(=O)C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020017244	0	44	-1.0	-52.89	374.57	6.53	-46.36
CCOC(=O)C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020017244	1	44	-1.0	-52.85	374.63	6.54	-46.31
CCOC(=O)C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020017245	0	44	-1.0	-41.14	385.16	6.34	-34.80
CCOC(=O)C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020017245	1	44	-1.0	-41.14	385.23	6.34	-34.80
COCCN(CCNC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020017246	0	52	-1.0	-55.30	414.35	3.16	-52.14
COCCN(CCNC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020017246	1	52	-1.0	-55.30	414.41	3.18	-52.12
COCCN(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300020017247	0	52	-1.0	-41.60	425.06	2.94	-38.66
COCCN(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300020017247	1	52	-1.0	-41.58	425.13	2.95	-38.63
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(C)O1	REAL300020017248	0	39	-1.0	-35.16	321.53	2.45	-32.71
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)O1	REAL300020017248	1	39	-1.0	-35.17	321.59	2.46	-32.71
CC(C)C1=CC=C2CCC[C@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300020017249	0	48	-1.0	-46.56	378.03	7.49	-39.07
CC(C)C1=CC=C2CCC[C@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300020017249	1	48	-1.0	-46.59	378.08	7.50	-39.09
CC(C)C1=CC=C2CCC[C@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300020017250	0	48	-1.0	-36.18	388.65	7.26	-28.92
CC(C)C1=CC=C2CCC[C@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300020017250	1	48	-1.0	-36.15	388.72	7.28	-28.87
CC(C)C1=CC=C2CCC[C@@H](NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300020017251	0	48	-1.0	-46.62	378.08	7.47	-39.15
CC(C)C1=CC=C2CCC[C@@H](NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300020017251	1	48	-1.0	-46.63	378.14	7.49	-39.14
CC(C)C1=CC=C2CCC[C@@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300020017252	0	48	-1.0	-36.20	388.66	7.27	-28.93
CC(C)C1=CC=C2CCC[C@@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300020017252	1	48	-1.0	-36.19	388.73	7.28	-28.91
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=NC=C1Br	REAL300020017253	0	32	-1.0	-52.03	299.64	3.02	-49.01
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=NC=C1Br	REAL300020017253	1	32	-1.0	-51.99	299.58	3.01	-48.98
COC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NC=C1Br	REAL300020017254	0	32	-1.0	-37.90	310.23	2.81	-35.09
COC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NC=C1Br	REAL300020017254	1	32	-1.0	-37.91	310.16	2.79	-35.12
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020017255	0	55	0.0	-77.28	412.08	9.05	-68.23
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020017255	1	55	0.0	-78.35	412.55	9.00	-69.35
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020017255	1	55	0.0	-77.31	412.14	9.07	-68.24
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020017255	1	55	0.0	-78.41	412.60	9.02	-69.39
CS(=O)(=O)N1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020017256	0	43	-1.0	-53.68	356.04	0.31	-53.37
CS(=O)(=O)N1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020017256	1	43	-1.0	-53.75	356.10	0.33	-53.42
CS(=O)(=O)N1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020017257	0	43	-1.0	-43.15	366.63	0.11	-43.04
CS(=O)(=O)N1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020017257	1	43	-1.0	-43.12	366.70	0.12	-43.00
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020017258	0	49	-1.0	-48.38	374.09	4.94	-43.44
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020017258	1	49	-1.0	-48.37	374.15	4.96	-43.41
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017259	0	49	-1.0	-36.39	386.20	5.49	-30.90
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017259	1	49	-1.0	-36.39	386.27	5.49	-30.90
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020017260	0	49	-1.0	-49.07	378.05	5.29	-43.78
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020017260	1	49	-1.0	-49.08	378.10	5.30	-43.78
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017261	0	49	-1.0	-36.19	385.73	5.51	-30.68
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017261	1	49	-1.0	-36.20	385.80	5.52	-30.68
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C(=O)OC(C)(C)C	REAL300020017262	0	47	-1.0	-48.61	378.82	6.60	-42.01
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C(=O)OC(C)(C)C	REAL300020017262	1	47	-1.0	-48.63	378.88	6.61	-42.02
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(=O)OC(C)(C)C	REAL300020017263	0	47	-1.0	-36.99	389.64	6.39	-30.60
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(=O)OC(C)(C)C	REAL300020017263	1	47	-1.0	-36.09	389.57	6.39	-29.70
CC1=CC=CC(C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=N2)=C1	REAL300020017264	0	44	-1.0	-49.95	368.33	6.42	-43.53
CC1=CC=CC(C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=N2)=C1	REAL300020017264	1	44	-1.0	-49.96	368.38	6.44	-43.52
CC1=CC=CC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=N2)=C1	REAL300020017265	0	44	-1.0	-38.17	378.92	6.21	-31.96
CC1=CC=CC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=N2)=C1	REAL300020017265	1	44	-1.0	-38.16	378.99	6.22	-31.94
CC(C)C1=CC=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020017266	0	48	-1.0	-49.05	380.92	8.88	-40.17
CC(C)C1=CC=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020017266	1	48	-1.0	-49.08	380.98	8.89	-40.19
CC(C)C1=CC=C(C2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020017267	0	48	-1.0	-37.66	388.10	9.15	-28.51
CC(C)C1=CC=C(C2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020017267	1	48	-1.0	-37.62	388.17	9.16	-28.46
CC1=CC=C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1C	REAL300020017268	0	47	-1.0	-47.65	363.74	5.77	-41.88
CC1=CC=C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1C	REAL300020017268	1	47	-1.0	-47.69	363.80	5.78	-41.91
CC1=CC=C(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1C	REAL300020017269	0	47	-1.0	-35.85	371.42	6.03	-29.82
CC1=CC=C(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1C	REAL300020017269	1	47	-1.0	-35.84	371.49	6.03	-29.81
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C1)NC1=CC=CC=C12	REAL300020017270	0	40	-1.0	-49.86	327.62	5.79	-44.07
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C1)NC1=CC=CC=C12	REAL300020017270	1	40	-1.0	-49.82	327.68	5.80	-44.02
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=C(C1)NC1=CC=CC=C12	REAL300020017271	0	40	-1.0	-37.11	334.94	6.01	-31.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=C(C1)NC1=CC=CC=C12	REAL300020017271	1	40	-1.0	-37.04	335.00	6.02	-31.02
CCC1=C(NC(=O)CCCC2=N[N-]N=N2)C=NN1CC(C)C	REAL300020017272	0	44	-1.0	-52.13	352.40	4.62	-47.51
CCC1=C(NC(=O)CCCC2=NN=N[N-]2)C=NN1CC(C)C	REAL300020017272	1	44	-1.0	-52.14	352.45	4.63	-47.51
CCC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=NN1CC(C)C	REAL300020017273	0	44	-1.0	-38.51	367.94	4.56	-33.95
CCC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=NN1CC(C)C	REAL300020017273	1	44	-1.0	-38.45	368.01	4.57	-33.88
CN(CC1=CC=C(Cl)C(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020017274	0	35	-1.0	-46.56	318.86	6.16	-40.40
CN(CC1=CC=C(Cl)C(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020017274	1	35	-1.0	-46.59	318.92	6.17	-40.42
CN(CC1=CC=C(Cl)C(F)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017275	0	35	-1.0	-36.41	326.74	6.55	-29.86
CN(CC1=CC=C(Cl)C(F)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017275	1	35	-1.0	-36.34	326.81	6.57	-29.77
CN1C=C(C2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL300020017276	0	42	-1.0	-52.58	353.62	5.56	-47.02
CN1C=C(C2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL300020017276	1	42	-1.0	-52.61	353.57	5.55	-47.06
CN1C=C(C2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300020017277	0	42	-1.0	-42.38	364.23	5.35	-37.03
CN1C=C(C2=CC=CC=C2CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300020017277	1	42	-1.0	-42.37	364.16	5.35	-37.02
O=C(CCCC1=N[N-]N=N1)NC1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL300020017278	0	34	-1.0	-53.07	310.19	3.94	-49.13
O=C(CCCC1=NN=N[N-]1)NC1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL300020017278	1	34	-1.0	-53.08	310.25	3.95	-49.13
O=C(NC1=NNC2=CC=C([N+](=O)[O-])C=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017279	0	34	-1.0	-41.40	320.76	3.73	-37.67
O=C(NC1=NNC2=CC=C([N+](=O)[O-])C=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017279	1	34	-1.0	-41.34	320.83	3.74	-37.60
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C(=O)NCC2=CC=CC=C2)=C1	REAL300020017280	0	46	-1.0	-60.85	390.87	5.49	-55.36
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C(=O)NCC2=CC=CC=C2)=C1	REAL300020017280	1	46	-1.0	-60.89	390.93	5.51	-55.38
O=C(NCC1=CC=CC=C1)C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020017281	0	46	-1.0	-45.39	401.51	5.29	-40.10
O=C(NCC1=CC=CC=C1)C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020017281	1	46	-1.0	-45.37	401.44	5.30	-40.07
CC1(C)CC(C)(C)C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL300020017282	0	48	-1.0	-48.13	373.54	7.21	-40.92
CC1(C)CC(C)(C)C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL300020017282	1	48	-1.0	-48.16	373.60	7.23	-40.93
CC1(C)CC(C)(C)C2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C21	REAL300020017283	0	48	-1.0	-35.82	383.31	7.00	-28.82
CC1(C)CC(C)(C)C2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C21	REAL300020017283	1	48	-1.0	-35.85	383.25	6.99	-28.86
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)NC2=CC=CC=C2O)CC1	REAL300020017284	0	47	-1.0	-55.92	379.93	2.76	-53.16
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)NC2=CC=CC=C2O)CC1	REAL300020017284	1	47	-1.0	-55.89	379.99	2.77	-53.12
CC(C)C(O)C(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017285	0	44	-1.0	-36.15	337.98	1.50	-34.65
CC(C)C(O)C(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017285	1	44	-1.0	-36.14	338.05	1.50	-34.64
C[NH+](C)CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=CC1=O	REAL300020017286	0	44	0.0	-82.04	361.11	4.38	-77.66
C[NH+](C)CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=CC1=O	REAL300020017286	1	44	0.0	-82.06	361.17	4.39	-77.67
C[NH+](C)CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CC1=O	REAL300020017287	0	44	0.0	-67.91	371.34	4.20	-63.71
C[NH+](C)CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CC1=O	REAL300020017287	1	44	0.0	-67.91	371.27	4.19	-63.72
N#CC1=CC=C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300020017288	0	34	-1.0	-40.50	305.26	6.11	-34.39
N#CC1=CC=C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300020017288	1	34	-1.0	-40.46	305.32	6.12	-34.34
O=C(NC1=C(C2CC2)N=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017289	0	32	-1.0	-35.34	299.13	2.71	-32.63
O=C(NC1=C(C2CC2)N=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017289	1	32	-1.0	-35.30	299.20	2.72	-32.58
O=C(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1	REAL300020017290	0	42	-1.0	-41.66	348.58	2.54	-39.12
O=C(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1	REAL300020017290	1	42	-1.0	-41.60	348.65	2.57	-39.03
O=C(CCCC1=N[N-]N=N1)NC1(C2=CC=C(F)C=C2F)CCC1	REAL300020017291	0	39	-1.0	-46.52	322.34	5.11	-41.41
O=C(CCCC1=NN=N[N-]1)NC1(C2=CC=C(F)C=C2F)CCC1	REAL300020017291	1	39	-1.0	-46.56	322.39	5.13	-41.43
O=C(NC1(C2=CC=C(F)C=C2F)CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017292	0	39	-1.0	-34.95	332.93	4.92	-30.03
O=C(NC1(C2=CC=C(F)C=C2F)CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017292	1	39	-1.0	-34.89	333.00	4.92	-29.97
CC(C)C1=NN=C(C(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1	REAL300020017293	0	40	-1.0	-41.93	346.01	2.56	-39.37
CC(C)C1=NN=C(C(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL300020017293	1	40	-1.0	-41.91	346.08	2.57	-39.34
COC1=CC=C(OC)C(CCCNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020017294	0	46	-1.0	-49.82	379.88	3.66	-46.16
COC1=CC=C(OC)C(CCCNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020017294	1	46	-1.0	-49.87	379.94	3.67	-46.20
COC1=CC=C(OC)C(CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020017295	0	46	-1.0	-38.68	390.47	3.46	-35.22
COC1=CC=C(OC)C(CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020017295	1	46	-1.0	-38.65	390.54	3.46	-35.19
COC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300020017296	0	45	-1.0	-55.66	386.66	5.40	-50.26
COC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300020017296	1	45	-1.0	-55.73	386.72	5.42	-50.31
COC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017297	0	45	-1.0	-42.25	397.25	5.22	-37.03
COC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017297	1	45	-1.0	-42.20	397.32	5.22	-36.98
COC1=CC=CC=C1COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1C	REAL300020017298	0	50	-1.0	-49.77	407.41	7.02	-42.75
COC1=CC=CC=C1COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1C	REAL300020017298	1	50	-1.0	-49.74	407.47	7.04	-42.70
CCCCCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017299	0	41	-1.0	-35.90	338.97	3.25	-32.65
CCCCCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017299	1	41	-1.0	-35.87	339.03	3.26	-32.61
O=C(CCCC1=N[N-]N=N1)N(CCO)CCN1CCOCC1	REAL300020017300	0	45	-1.0	-50.02	354.85	-1.22	-51.24
O=C(CCCC1=NN=N[N-]1)N(CCO)CCN1CCOCC1	REAL300020017300	1	45	-1.0	-50.02	354.91	-1.20	-51.22
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCO)CCN1CCOCC1	REAL300020017301	0	45	-1.0	-36.93	362.81	-0.59	-37.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCO)CCN1CCOCC1	REAL300020017301	1	45	-1.0	-36.88	362.88	-0.58	-37.46
CN(CC(O)COCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020017302	0	46	-1.0	-52.95	382.88	3.43	-49.52
CN(CC(O)COCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020017302	1	46	-1.0	-52.93	382.94	3.45	-49.48
COC(=O)[C@H](CC1=CNC=N1)NC(=O)CCCC1=N[N-]N=N1	REAL300020017303	0	38	-1.0	-57.05	334.00	2.89	-54.16
COC(=O)[C@H](CC1=CNC=N1)NC(=O)CCCC1=NN=N[N-]1	REAL300020017303	1	38	-1.0	-57.07	334.06	2.91	-54.16
COC(=O)[C@H](CC1=CNC=N1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017304	0	38	-1.0	-44.01	344.59	2.70	-41.31
COC(=O)[C@H](CC1=CNC=N1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017304	1	38	-1.0	-43.99	344.66	2.70	-41.29
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020017305	0	44	-1.0	-54.35	349.60	6.27	-48.08
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020017305	1	44	-1.0	-54.38	349.66	6.28	-48.10
O=C(CCCC1=N[N-]N=N1)NCCCC[N@H+]1CCCC1CO	REAL300020017306	0	48	0.0	-70.12	373.65	1.95	-68.17
O=C(CCCC1=N[N-]N=N1)NCCCC[N@@H+]1CCCC1CO	REAL300020017306	1	48	0.0	-69.86	373.75	1.97	-67.89
O=C(CCCC1=NN=N[N-]1)NCCCC[N@H+]1CCCC1CO	REAL300020017306	1	48	0.0	-70.13	373.71	1.96	-68.17
O=C(CCCC1=NN=N[N-]1)NCCCC[N@@H+]1CCCC1CO	REAL300020017306	1	48	0.0	-69.86	373.81	1.98	-67.88
O=C(NCCCC[N@H+]1CCCC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017307	0	48	0.0	-61.43	380.81	1.23	-60.20
O=C(NCCCC[N@@H+]1CCCC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017307	1	48	0.0	-58.77	384.19	1.70	-57.07
O=C(NCCCC[N@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017307	1	48	0.0	-61.40	380.88	1.23	-60.17
O=C(NCCCC[N@@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017307	1	48	0.0	-58.73	384.26	1.72	-57.01
O=C(CCCC1=N[N-]N=N1)NC1=NNC2=C(Cl)C=CC=C12	REAL300020017308	0	32	-1.0	-54.47	298.94	3.76	-50.71
O=C(CCCC1=NN=N[N-]1)NC1=NNC2=C(Cl)C=CC=C12	REAL300020017308	1	32	-1.0	-54.51	299.00	3.77	-50.74
O=C(NC1=NNC2=C(Cl)C=CC=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017309	0	32	-1.0	-39.10	309.51	3.55	-35.55
O=C(NC1=NNC2=C(Cl)C=CC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017309	1	32	-1.0	-39.06	309.58	3.57	-35.49
O=C(CCCC1=N[N-]N=N1)NNC1=CN=CC(Br)=C1	REAL300020017310	0	30	-1.0	-46.28	286.12	1.80	-44.48
O=C(CCCC1=NN=N[N-]1)NNC1=CN=CC(Br)=C1	REAL300020017310	1	30	-1.0	-46.28	286.17	1.81	-44.47
COC(=O)C1=CC=C(NNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL300020017311	0	36	-1.0	-47.98	321.96	2.93	-45.05
COC(=O)C1=CC=C(NNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL300020017311	1	36	-1.0	-47.98	322.02	2.95	-45.03
CN(CC(O)CN1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL300020017312	0	45	-1.0	-50.60	355.65	-1.29	-51.89
CN(CC(O)CN1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL300020017312	1	45	-1.0	-50.61	355.71	-1.27	-51.88
CN(CC(O)CN1CCOCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017313	0	45	-1.0	-39.71	363.60	-0.91	-40.62
CN(CC(O)CN1CCOCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017313	1	45	-1.0	-39.66	363.67	-0.89	-40.55
CSCC(CCO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017314	0	36	-1.0	-37.96	319.75	-0.28	-38.24
CSCC(CCO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017314	1	36	-1.0	-37.94	319.82	-0.27	-38.21
CCCN(CC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017315	0	43	0.0	-59.78	342.96	6.26	-53.52
CCCN(CC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017315	1	43	0.0	-59.81	343.04	6.27	-53.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CN2CCOCC2)C=N1	REAL300020017316	0	44	-1.0	-54.14	358.25	2.12	-52.02
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CN2CCOCC2)C=N1	REAL300020017316	1	44	-1.0	-54.15	358.31	2.13	-52.02
O=C(NC1=CC=C(CN2CCOCC2)C=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017317	0	44	-1.0	-40.33	368.78	1.82	-38.51
O=C(NC1=CC=C(CN2CCOCC2)C=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017317	1	44	-1.0	-40.30	368.85	1.84	-38.46
CCC(CO)N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020017318	0	44	-1.0	-36.51	339.52	0.76	-35.75
CCC(CO)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020017318	1	44	-1.0	-35.69	339.81	0.84	-34.85
CCC(CO)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020017318	1	45	0.0	-54.50	339.18	2.66	-51.84
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1F	REAL300020017319	0	35	-1.0	-35.35	317.98	4.25	-31.10
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1F	REAL300020017319	1	35	-1.0	-35.33	318.05	4.27	-31.06
O=C(NC(CO)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017320	0	36	-1.0	-37.23	315.96	0.93	-36.30
O=C(NC(CO)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017320	1	36	-1.0	-37.17	316.03	0.95	-36.22
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(S(C)=O)C=C1	REAL300020017321	0	40	-1.0	-59.30	348.78	2.91	-56.39
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(S(C)=O)C=C1	REAL300020017321	1	40	-1.0	-59.35	348.84	2.92	-56.43
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(S(C)=O)C=C1	REAL300020017322	0	40	-1.0	-45.08	359.38	2.70	-42.38
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(S(C)=O)C=C1	REAL300020017322	1	40	-1.0	-45.05	359.44	2.72	-42.33
CC1=NC2=CC=CC=C2N1CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020017323	0	48	-1.0	-54.39	382.47	7.65	-46.74
CC1=NC2=CC=CC=C2N1CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020017323	1	48	-1.0	-54.39	382.53	7.67	-46.72
CC1=NC2=CC=CC=C2N1CC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017324	0	48	-1.0	-41.01	389.56	7.95	-33.06
CC1=NC2=CC=CC=C2N1CC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017324	1	48	-1.0	-40.97	389.64	7.96	-33.01
O=C(CCCC1=N[N-]N=N1)N1CCCC1CN1C=NC2=CC=CC=C21	REAL300020017325	0	45	-1.0	-53.37	369.05	8.11	-45.26
O=C(CCCC1=NN=N[N-]1)N1CCCC1CN1C=NC2=CC=CC=C21	REAL300020017325	1	45	-1.0	-53.40	369.10	8.13	-45.27
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1CN1C=NC2=CC=CC=C21	REAL300020017326	0	45	-1.0	-40.59	376.42	8.36	-32.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1CN1C=NC2=CC=CC=C21	REAL300020017326	1	45	-1.0	-40.60	376.35	8.35	-32.25
CNC(=O)[C@H](CC(C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017327	0	41	-1.0	-43.38	346.66	1.12	-42.26
CNC(=O)[C@H](CC(C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017327	1	41	-1.0	-43.32	346.72	1.14	-42.18
CC1CC2=CC(C3=CC=C(CNC(=O)CCCC4=N[N-]N=N4)C=C3)=CC=C2O1	REAL300020017328	0	50	-1.0	-48.97	410.25	7.51	-41.46
CC1CC2=CC(C3=CC=C(CNC(=O)CCCC4=NN=N[N-]4)C=C3)=CC=C2O1	REAL300020017328	1	50	-1.0	-48.96	410.31	7.52	-41.44
CN1C=CN=C1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020017329	0	39	-1.0	-41.01	329.85	4.88	-36.13
CN1C=CN=C1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017329	1	39	-1.0	-40.99	329.92	4.88	-36.11
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020017330	0	38	-1.0	-57.55	326.97	2.71	-54.84
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020017330	1	38	-1.0	-57.53	326.91	2.70	-54.83
CC(C)(C)C1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020017331	0	42	-1.0	-35.16	331.07	6.10	-29.06
CC(C)(C)C1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020017331	1	42	-1.0	-35.13	331.13	6.11	-29.02
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=C(OCC(F)(F)F)C(Cl)=C1	REAL300020017332	0	36	-1.0	-48.25	359.93	5.29	-42.96
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=C(OCC(F)(F)F)C(Cl)=C1	REAL300020017332	1	36	-1.0	-48.23	359.98	5.31	-42.92
CN(CC1CCOCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017333	0	39	-1.0	-36.97	313.76	3.74	-33.23
CN(CC1CCOCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017333	1	39	-1.0	-36.94	313.84	3.75	-33.19
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300020017334	0	53	0.0	-73.09	399.60	5.64	-67.45
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300020017334	1	53	0.0	-73.12	399.66	5.65	-67.47
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300020017335	0	53	0.0	-59.05	410.51	5.43	-53.62
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300020017335	1	53	0.0	-59.09	410.45	5.41	-53.68
COC1=CC=C(S(=O)(=O)N2CC(NC(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL300020017336	0	45	-1.0	-55.74	392.55	0.39	-55.35
COC1=CC=C(S(=O)(=O)N2CC(NC(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL300020017336	1	45	-1.0	-55.78	392.61	0.41	-55.37
CCOC(=O)CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL300020017337	0	50	-1.0	-53.30	379.45	5.68	-47.62
CCOC(=O)CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL300020017337	1	50	-1.0	-53.35	379.51	5.70	-47.65
CCOC(=O)CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300020017338	0	50	-1.0	-36.57	389.76	5.49	-31.08
CCOC(=O)CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300020017338	1	50	-1.0	-36.57	389.82	5.50	-31.07
CSC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1[NH+](C)C	REAL300020017339	0	42	0.0	-60.14	346.98	5.07	-55.07
CSC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1[NH+](C)C	REAL300020017339	1	42	0.0	-60.13	347.06	5.07	-55.06
C[NH+](C)CCCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020017340	0	48	0.0	-76.61	383.82	5.69	-70.92
C[NH+](C)CCCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020017340	1	48	0.0	-76.63	383.88	5.71	-70.92
C[NH+](C)CCCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020017341	0	48	0.0	-65.11	394.46	5.50	-59.61
C[NH+](C)CCCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020017341	1	48	0.0	-65.14	394.39	5.48	-59.66
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NC(N2CCCCCC2)=C1	REAL300020017342	0	49	-1.0	-46.45	381.09	4.57	-41.88
O=C(CCCC1=NN=N[N-]1)NCC1=CC=NC(N2CCCCCC2)=C1	REAL300020017342	1	49	-1.0	-46.45	381.15	4.59	-41.86
O=C(CCCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCCCCC2)=C1	REAL300020017342	1	50	0.0	-66.03	382.04	4.81	-61.22
O=C(NC(CO)CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017343	0	39	-1.0	-38.12	339.60	1.80	-36.32
O=C(NC(CO)CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017343	1	39	-1.0	-38.10	339.67	1.81	-36.29
O=C(CCCC1=N[N-]N=N1)NC(CO)CC1=CNC2=CC=CC=C12	REAL300020017344	0	43	-1.0	-51.54	362.96	1.94	-49.60
O=C(CCCC1=NN=N[N-]1)NC(CO)CC1=CNC2=CC=CC=C12	REAL300020017344	1	43	-1.0	-51.57	363.02	1.95	-49.62
O=C(NC(CO)CC1=CNC2=CC=CC=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017345	0	43	-1.0	-41.77	368.69	1.88	-39.89
O=C(NC(CO)CC1=CNC2=CC=CC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017345	1	43	-1.0	-41.74	368.77	1.89	-39.85
O=C(N[C@@H](CO)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017346	0	36	-1.0	-37.22	315.96	0.94	-36.28
O=C(N[C@@H](CO)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017346	1	36	-1.0	-37.18	316.03	0.95	-36.23
O=C(N[C@H](CO)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017347	0	36	-1.0	-37.20	315.99	0.94	-36.26
O=C(N[C@H](CO)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017347	1	36	-1.0	-37.15	316.06	0.95	-36.20
CC(C1=CC=CC=C1)C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL300020017348	0	42	-1.0	-46.86	345.24	2.33	-44.53
CC(C1=CC=CC=C1)C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL300020017348	1	42	-1.0	-46.84	345.30	2.35	-44.49
CC(C1=CC=CC=C1)C(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017349	0	42	-1.0	-36.52	355.92	2.20	-34.32
CC(C1=CC=CC=C1)C(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017349	1	42	-1.0	-36.51	355.99	2.21	-34.30
CCOC(=O)C1=CN=C(NNC(=O)CCCC2=N[N-]N=N2)N=C1C	REAL300020017350	0	41	-1.0	-47.82	355.37	4.79	-43.03
CCOC(=O)C1=CN=C(NNC(=O)CCCC2=NN=N[N-]2)N=C1C	REAL300020017350	1	41	-1.0	-47.83	355.43	4.81	-43.02
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=C(F)C=CC=C1F	REAL300020017351	0	36	-1.0	-48.79	312.18	1.49	-47.30
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=C(F)C=CC=C1F	REAL300020017351	1	36	-1.0	-48.80	312.24	1.50	-47.30
O=C(NC(CO)C1=C(F)C=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017352	0	36	-1.0	-39.43	322.78	1.28	-38.15
O=C(NC(CO)C1=C(F)C=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017352	1	36	-1.0	-39.45	322.85	1.30	-38.15
O=C(NC(CO)C1=CC=CC(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017353	0	36	-1.0	-36.79	322.37	1.01	-35.78
O=C(NC(CO)C1=CC=CC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017353	1	36	-1.0	-36.75	322.44	1.02	-35.73
COC1=CC=CC=C1C(CO)NC(=O)CCCC1=N[N-]N=N1	REAL300020017354	0	40	-1.0	-49.42	334.15	0.44	-48.98
COC1=CC=CC=C1C(CO)NC(=O)CCCC1=NN=N[N-]1	REAL300020017354	1	40	-1.0	-49.42	334.21	0.45	-48.97
COC1=CC=CC=C1C(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017355	0	40	-1.0	-39.72	346.80	0.65	-39.07
COC1=CC=CC=C1C(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017355	1	40	-1.0	-39.69	346.87	0.65	-39.04
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=CC=CC(Cl)=C1	REAL300020017356	0	36	-1.0	-46.62	322.13	1.64	-44.98
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=CC=CC(Cl)=C1	REAL300020017356	1	36	-1.0	-46.64	322.19	1.66	-44.98
O=C(NC(CO)C1=CC=CC(Cl)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017357	0	36	-1.0	-36.36	332.69	1.45	-34.91
O=C(NC(CO)C1=CC=CC(Cl)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017357	1	36	-1.0	-36.32	332.76	1.46	-34.86
O=C(NC(CO)CC(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017358	0	32	-1.0	-38.85	297.17	-0.55	-39.40
O=C(NC(CO)CC(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017358	1	32	-1.0	-38.83	297.23	-0.53	-39.36
CC(C)(C)CC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017359	0	41	-1.0	-36.46	332.14	1.23	-35.23
CC(C)(C)CC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017359	1	41	-1.0	-36.44	332.20	1.24	-35.20
CC1=CC=CC=C1C(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017360	0	39	-1.0	-39.15	334.41	1.78	-37.37
CC1=CC=CC=C1C(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017360	1	39	-1.0	-39.12	334.48	1.80	-37.32
O=C(NC(CO)C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017361	0	42	-1.0	-36.31	339.49	1.23	-35.08
O=C(NC(CO)C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017361	1	42	-1.0	-36.27	339.56	1.24	-35.03
O=C(NC(CO)C1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017362	0	37	-1.0	-37.30	308.10	-1.47	-38.77
O=C(NC(CO)C1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017362	1	37	-1.0	-37.25	308.17	-1.45	-38.70
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=CC=CC(Br)=C1	REAL300020017363	0	36	-1.0	-46.58	326.70	1.75	-44.83
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=CC=CC(Br)=C1	REAL300020017363	1	36	-1.0	-46.56	326.76	1.76	-44.80
O=C(NC(CO)C1=CC=CC(Br)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017364	0	36	-1.0	-36.33	337.26	1.55	-34.78
O=C(NC(CO)C1=CC=CC(Br)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017364	1	36	-1.0	-36.30	337.33	1.56	-34.74
O=C(CCCC1=N[N-]N=N1)NC(CO)CC(O)C1=CC=CC=C1	REAL300020017365	0	43	-1.0	-49.81	358.84	-0.31	-50.12
O=C(CCCC1=NN=N[N-]1)NC(CO)CC(O)C1=CC=CC=C1	REAL300020017365	1	43	-1.0	-49.85	358.90	-0.30	-50.15
O=C(CCCC1=N[N-]N=N1)NC(CO)C1=CC=C(C(F)(F)F)C=C1	REAL300020017366	0	39	-1.0	-46.16	344.14	2.15	-44.01
O=C(CCCC1=NN=N[N-]1)NC(CO)C1=CC=C(C(F)(F)F)C=C1	REAL300020017366	1	39	-1.0	-46.16	344.20	2.16	-44.00
O=C(NC(CO)C1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017367	0	39	-1.0	-37.28	354.73	1.93	-35.35
O=C(NC(CO)C1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017367	1	39	-1.0	-37.22	354.80	1.95	-35.27
CC1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1C1CC1	REAL300020017368	0	38	-1.0	-41.72	334.59	3.61	-38.11
CC1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1C1CC1	REAL300020017368	1	38	-1.0	-41.68	334.65	3.61	-38.07
CC(C)C1=NN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N1C	REAL300020017369	0	40	-1.0	-42.03	346.12	3.14	-38.89
CC(C)C1=NN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1C	REAL300020017369	1	40	-1.0	-42.05	346.19	3.14	-38.91
CC(C)CSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017370	0	38	-1.0	-35.31	336.27	3.74	-31.57
CC(C)CSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017370	1	38	-1.0	-35.28	336.34	3.75	-31.53
O=C(CCCC1=N[N-]N=N1)NCC1CCS(=O)(=O)CC1	REAL300020017371	0	38	-1.0	-56.60	319.72	-0.06	-56.66
O=C(CCCC1=NN=N[N-]1)NCC1CCS(=O)(=O)CC1	REAL300020017371	1	38	-1.0	-56.57	319.78	-0.04	-56.61
O=C(NCC1CCS(=O)(=O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017372	0	38	-1.0	-44.65	330.32	-0.25	-44.90
O=C(NCC1CCS(=O)(=O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017372	1	38	-1.0	-44.63	330.39	-0.25	-44.88
CN(CCCC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017373	0	41	-1.0	-37.50	347.86	7.55	-29.95
CN(CCCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017373	1	41	-1.0	-37.42	347.93	7.58	-29.84
O=C(CCCC1=N[N-]N=N1)NCC1CC(=O)N(CC2=CC=CC=C2)C1	REAL300020017374	0	46	-1.0	-56.11	385.11	5.28	-50.83
O=C(CCCC1=NN=N[N-]1)NCC1CC(=O)N(CC2=CC=CC=C2)C1	REAL300020017374	1	46	-1.0	-56.12	385.17	5.29	-50.83
O=C(NCC1CC(=O)N(CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017375	0	46	-1.0	-43.32	395.79	5.00	-38.32
O=C(NCC1CC(=O)N(CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017375	1	46	-1.0	-43.28	395.85	5.00	-38.28
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=NC=CC=C2F)CC1	REAL300020017376	0	40	-1.0	-49.74	327.22	4.05	-45.69
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=NC=CC=C2F)CC1	REAL300020017376	1	40	-1.0	-49.74	327.17	4.03	-45.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=NC=CC=C2F)CC1	REAL300020017377	0	40	-1.0	-38.20	334.95	4.32	-33.88
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2=NC=CC=C2F)CC1	REAL300020017377	1	40	-1.0	-38.24	334.88	4.31	-33.93
O=C(NC1=CC=C(Cl)C=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017378	0	30	-1.0	-34.99	290.66	0.92	-34.07
O=C(NC1=CC=C(Cl)C=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017378	1	30	-1.0	-34.94	290.72	0.93	-34.01
CC(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCCCC2	REAL300020017379	0	49	-1.0	-51.22	357.42	5.57	-45.65
CC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCCCC2	REAL300020017379	1	49	-1.0	-51.26	357.48	5.58	-45.68
CC(=O)N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCCC2	REAL300020017380	0	49	-1.0	-36.26	365.67	5.77	-30.49
CC(=O)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCCC2	REAL300020017380	1	49	-1.0	-36.25	365.73	5.78	-30.47
CN1C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2N=C1C1CC1	REAL300020017381	0	42	-1.0	-51.87	352.47	6.05	-45.82
CN1C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2N=C1C1CC1	REAL300020017381	1	42	-1.0	-51.89	352.53	6.07	-45.82
CN1C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2N=C1C1CC1	REAL300020017382	0	42	-1.0	-41.59	363.34	5.84	-35.75
CN1C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2N=C1C1CC1	REAL300020017382	1	42	-1.0	-41.53	363.40	5.84	-35.69
CN1C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2N=C1C(C)(C)C	REAL300020017383	0	47	-1.0	-51.58	373.74	5.86	-45.72
CN1C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2N=C1C(C)(C)C	REAL300020017383	1	47	-1.0	-51.63	373.80	5.88	-45.75
CN1C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2N=C1C(C)(C)C	REAL300020017384	0	47	-1.0	-41.28	384.38	5.67	-35.61
CN1C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2N=C1C(C)(C)C	REAL300020017384	1	47	-1.0	-41.36	384.31	5.65	-35.71
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C(F)(F)F)CC1	REAL300020017385	0	36	-1.0	-48.30	302.41	1.37	-46.93
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C(F)(F)F)CC1	REAL300020017385	1	36	-1.0	-48.32	302.46	1.38	-46.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)(C(F)(F)F)CC1	REAL300020017386	0	36	-1.0	-35.46	310.08	1.63	-33.83
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)(C(F)(F)F)CC1	REAL300020017386	1	36	-1.0	-35.40	310.15	1.64	-33.76
O=C(NNC1=NC=C(F)C=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017387	0	29	-1.0	-35.92	279.04	2.56	-33.36
O=C(NNC1=NC=C(F)C=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017387	1	29	-1.0	-35.88	279.11	2.56	-33.32
CCC(CC(C)CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017388	0	41	-1.0	-38.59	334.25	0.65	-37.94
CCC(CC(C)CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017388	1	41	-1.0	-38.59	334.31	0.66	-37.93
CC1=NN=CN1C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020017389	0	38	-1.0	-50.97	328.27	6.48	-44.49
CC1=NN=CN1C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020017389	1	38	-1.0	-50.96	328.33	6.50	-44.46
CC1=NN=CN1C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020017390	0	38	-1.0	-43.32	338.91	6.29	-37.03
CC1=NN=CN1C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020017390	1	38	-1.0	-43.36	338.84	6.27	-37.09
CC1=NNC(C)=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020017391	0	42	-1.0	-53.60	334.02	4.40	-49.20
CC1=NNC(C)=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020017391	1	42	-1.0	-53.61	333.96	4.38	-49.23
CC1=NNC(C)=C1C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017392	0	42	-1.0	-40.93	341.64	4.88	-36.05
CC1=NNC(C)=C1C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017392	1	42	-1.0	-40.95	341.57	4.87	-36.08
CC1=CC=NC(C(NC(=O)CCCC2=N[N-]N=N2)C2CC2)=N1	REAL300020017393	0	40	-1.0	-49.24	332.32	4.15	-45.09
CC1=CC=NC(C(NC(=O)CCCC2=NN=N[N-]2)C2CC2)=N1	REAL300020017393	1	40	-1.0	-49.24	332.37	4.16	-45.08
CC1=CC=NC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2CC2)=N1	REAL300020017394	0	40	-1.0	-38.88	342.92	3.95	-34.93
CC1=CC=NC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2CC2)=N1	REAL300020017394	1	40	-1.0	-38.86	342.99	3.95	-34.91
O=C(NC1=CC=CC2=C1OCCO2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017395	0	35	-1.0	-38.15	307.39	2.42	-35.73
O=C(NC1=CC=CC2=C1OCCO2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017395	1	35	-1.0	-38.18	307.32	2.40	-35.78
CCS(=O)(=O)CCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017396	0	37	-1.0	-43.99	330.06	1.39	-42.60
CCS(=O)(=O)CCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017396	1	37	-1.0	-43.99	330.13	1.42	-42.57
O=C(CCCC1=NN=N[N-]1)NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1	REAL300020017397	0	40	-1.0	-51.91	349.70	4.06	-47.85
O=C(CCCC1=N[N-]N=N1)NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1	REAL300020017397	1	40	-1.0	-51.88	349.64	4.04	-47.84
O=C(NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017398	0	40	-1.0	-39.76	360.27	3.86	-35.90
O=C(NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017398	1	40	-1.0	-39.79	360.20	3.85	-35.94
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1CC1=CC=C(OC(F)(F)F)C=C1	REAL300020017399	0	43	-1.0	-50.97	379.53	5.73	-45.24
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1CC1=CC=C(OC(F)(F)F)C=C1	REAL300020017399	1	43	-1.0	-51.00	379.47	5.72	-45.28
O=C(CCCC1=N[N-]N=N1)N(CCO)CC1=CC=C(Cl)C(Cl)=C1	REAL300020017400	0	39	-1.0	-46.74	357.43	4.26	-42.48
O=C(CCCC1=NN=N[N-]1)N(CCO)CC1=CC=C(Cl)C(Cl)=C1	REAL300020017400	1	39	-1.0	-46.73	357.49	4.27	-42.46
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CCO)CC1=CC=C(Cl)C(Cl)=C1	REAL300020017401	0	39	-1.0	-35.45	365.69	4.88	-30.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CCO)CC1=CC=C(Cl)C(Cl)=C1	REAL300020017401	1	39	-1.0	-35.43	365.75	4.90	-30.53
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020017402	0	41	-1.0	-48.27	342.55	6.58	-41.69
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020017402	1	41	-1.0	-48.26	342.60	6.60	-41.66
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC2=CC=CC=C2C=C1	REAL300020017403	0	41	-1.0	-36.99	353.13	6.38	-30.61
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC2=CC=CC=C2C=C1	REAL300020017403	1	41	-1.0	-36.98	353.21	6.39	-30.59
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020017404	0	45	-1.0	-48.09	370.79	7.72	-40.37
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020017404	1	45	-1.0	-48.07	370.84	7.73	-40.34
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020017405	0	45	-1.0	-37.09	381.39	7.52	-29.57
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020017405	1	45	-1.0	-37.05	381.46	7.53	-29.52
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL300020017406	0	49	-1.0	-57.47	384.19	3.84	-53.63
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL300020017406	1	49	-1.0	-57.50	384.25	3.85	-53.65
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020017407	0	49	-1.0	-42.41	394.78	3.64	-38.77
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017407	1	49	-1.0	-42.42	394.85	3.66	-38.76
O=C(CCCC1=N[N-]N=N1)N1CCCC(COC2=CC=CC=C2Cl)C1	REAL300020017408	0	46	-1.0	-49.65	382.80	7.40	-42.25
O=C(CCCC1=NN=N[N-]1)N1CCCC(COC2=CC=CC=C2Cl)C1	REAL300020017408	1	46	-1.0	-49.68	382.86	7.41	-42.27
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(COC2=CC=CC=C2Cl)C1	REAL300020017409	0	46	-1.0	-41.25	391.25	7.60	-33.65
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(COC2=CC=CC=C2Cl)C1	REAL300020017409	1	46	-1.0	-41.23	391.33	7.61	-33.62
O=C(CCCC1=NN=N[N-]1)NCCCOC1=NC=C(C(F)(F)F)C=C1Cl	REAL300020017410	0	41	-1.0	-48.03	383.31	2.81	-45.22
O=C(CCCC1=N[N-]N=N1)NCCCOC1=NC=C(C(F)(F)F)C=C1Cl	REAL300020017410	1	41	-1.0	-48.02	383.25	2.80	-45.22
O=C(CCCC1=N[N-]N=N1)NC1CCN(C2=CC=C(Cl)C(F)=C2)C1=O	REAL300020017411	0	40	-1.0	-64.66	356.80	4.48	-60.18
O=C(CCCC1=NN=N[N-]1)NC1CCN(C2=CC=C(Cl)C(F)=C2)C1=O	REAL300020017411	1	40	-1.0	-64.68	356.86	4.50	-60.18
C[NH+]1CCC(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300020017412	0	48	0.0	-72.79	364.05	6.45	-66.34
C[NH+]1CCC(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300020017412	1	48	0.0	-72.80	364.11	6.46	-66.34
C[NH+]1CCC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300020017413	0	48	0.0	-63.49	371.02	6.63	-56.86
C[NH+]1CCC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300020017413	1	48	0.0	-63.48	371.09	6.63	-56.85
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC=C(C(F)(F)F)CC1	REAL300020017414	0	33	-1.0	-34.61	294.45	4.75	-29.86
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC=C(C(F)(F)F)CC1	REAL300020017414	1	33	-1.0	-34.58	294.52	4.75	-29.83
O=C(CCCC1=N[N-]N=N1)N1CCNC(=O)C1C1=CC=CC=C1Br	REAL300020017415	0	40	-1.0	-55.23	342.78	3.65	-51.58
O=C(CCCC1=NN=N[N-]1)N1CCNC(=O)C1C1=CC=CC=C1Br	REAL300020017415	1	40	-1.0	-55.27	342.84	3.66	-51.61
O=C(CCCC1=N[N-]N=N1)NC(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1	REAL300020017416	0	44	-1.0	-50.46	385.47	7.23	-43.23
O=C(CCCC1=NN=N[N-]1)NC(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1	REAL300020017416	1	44	-1.0	-50.49	385.52	7.25	-43.24
CS(=O)(=O)NC1=CC=C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300020017417	0	49	-1.0	-55.63	399.01	1.26	-54.37
CS(=O)(=O)NC1=CC=C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300020017417	1	49	-1.0	-55.62	399.07	1.27	-54.35
C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020017418	0	35	-1.0	-48.89	313.35	4.87	-44.02
C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020017418	1	35	-1.0	-48.87	313.41	4.88	-43.99
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1Br	REAL300020017419	0	35	-1.0	-36.08	323.94	4.65	-31.43
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1Br	REAL300020017419	1	35	-1.0	-36.12	324.01	4.66	-31.46
O=C(CCCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2Cl)CC1	REAL300020017420	0	39	-1.0	-48.90	341.16	5.75	-43.15
O=C(CCCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2Cl)CC1	REAL300020017420	1	39	-1.0	-48.92	341.21	5.77	-43.15
O=C(NCC1(C2=CC=CC=C2Cl)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017421	0	39	-1.0	-36.30	351.36	5.58	-30.72
O=C(NCC1(C2=CC=CC=C2Cl)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017421	1	39	-1.0	-36.27	351.43	5.59	-30.68
O=C(CCCC1=N[N-]N=N1)NC(CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300020017422	0	38	-1.0	-49.74	340.11	5.78	-43.96
O=C(CCCC1=NN=N[N-]1)NC(CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300020017422	1	38	-1.0	-49.77	340.17	5.79	-43.98
O=C(NC(CC(F)(F)F)C1=CC=C(Cl)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017423	0	38	-1.0	-38.15	350.64	5.57	-32.58
O=C(NC(CC(F)(F)F)C1=CC=C(Cl)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017423	1	38	-1.0	-38.10	350.71	5.59	-32.51
O=C(CCCC1=N[N-]N=N1)NCC1(C2=CC=C(F)C=C2Cl)CC1	REAL300020017424	0	39	-1.0	-47.38	345.61	5.90	-41.48
O=C(CCCC1=NN=N[N-]1)NCC1(C2=CC=C(F)C=C2Cl)CC1	REAL300020017424	1	39	-1.0	-47.42	345.67	5.91	-41.51
O=C(NCC1(C2=CC=C(F)C=C2Cl)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017425	0	39	-1.0	-36.99	356.21	5.69	-31.30
O=C(NCC1(C2=CC=C(F)C=C2Cl)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017425	1	39	-1.0	-36.95	356.28	5.70	-31.25
CN1CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300020017426	0	41	-1.0	-48.75	323.20	2.07	-46.68
CN1CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300020017426	1	41	-1.0	-48.72	323.25	2.08	-46.64
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300020017426	1	42	0.0	-79.73	330.86	5.25	-74.48
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300020017426	1	42	0.0	-77.76	331.33	5.00	-72.76
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300020017426	1	42	0.0	-79.74	330.92	5.26	-74.48
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300020017426	1	42	0.0	-77.77	331.39	5.02	-72.75
CN1CC2=CC=CC=C2C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020017427	0	41	-1.0	-37.55	339.23	2.37	-35.18
CN1CC2=CC=CC=C2C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017427	1	41	-1.0	-37.50	339.30	2.38	-35.12
CS(=O)(=O)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL300020017428	0	44	-1.0	-53.41	365.65	3.31	-50.10
CS(=O)(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL300020017428	1	44	-1.0	-53.47	365.71	3.32	-50.15
CS(=O)(=O)N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2=CC=CC=C21	REAL300020017429	0	44	-1.0	-41.43	360.23	3.92	-37.51
CS(=O)(=O)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=CC=C21	REAL300020017429	1	44	-1.0	-41.39	360.29	3.92	-37.47
O=C(CCCC1=N[N-]N=N1)NCC1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300020017430	0	45	-1.0	-47.68	379.20	7.32	-40.36
O=C(CCCC1=NN=N[N-]1)NCC1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300020017430	1	45	-1.0	-47.70	379.26	7.34	-40.36
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020017431	0	39	-1.0	-46.11	340.01	2.15	-43.96
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020017431	1	39	-1.0	-46.09	340.07	2.16	-43.93
CC(O)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=C1	REAL300020017432	0	39	-1.0	-36.46	351.12	1.96	-34.50
CC(O)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(Cl)=C1	REAL300020017432	1	39	-1.0	-36.45	351.19	1.98	-34.47
CC(C)C1=CC=C(CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300020017433	0	54	-1.0	-46.74	415.24	9.75	-36.99
CC(C)C1=CC=C(CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300020017433	1	54	-1.0	-46.72	415.30	9.76	-36.96
CC(C)C1=CC=C(CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300020017434	0	54	-1.0	-35.47	422.86	10.00	-25.47
CC(C)C1=CC=C(CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300020017434	1	54	-1.0	-35.46	422.93	10.01	-25.45
CC(C)OC(=O)CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020017435	0	47	-1.0	-50.22	371.14	6.48	-43.74
CC(C)OC(=O)CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020017435	1	47	-1.0	-50.24	371.20	6.50	-43.74
CC(C)OC(=O)CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020017436	0	47	-1.0	-42.49	378.99	6.74	-35.75
CC(C)OC(=O)CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017436	1	47	-1.0	-42.44	379.06	6.75	-35.69
COC(=O)C1=CN(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)N=N1	REAL300020017437	0	44	-1.0	-56.60	368.43	3.53	-53.07
COC(=O)C1=CN(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)N=N1	REAL300020017437	1	44	-1.0	-56.62	368.37	3.52	-53.10
COC(=O)C1=CN(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)N=N1	REAL300020017438	0	44	-1.0	-42.34	376.12	3.69	-38.65
COC(=O)C1=CN(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)N=N1	REAL300020017438	1	44	-1.0	-42.35	376.06	3.69	-38.66
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1C1=CC=CC=C1	REAL300020017439	0	42	-1.0	-35.89	335.64	7.13	-28.76
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1C1=CC=CC=C1	REAL300020017439	1	42	-1.0	-35.86	335.72	7.14	-28.72
CC(C)C1=CC=NC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300020017440	0	48	-1.0	-50.18	379.71	6.02	-44.16
CC(C)C1=CC=NC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300020017440	1	48	-1.0	-50.21	379.77	6.04	-44.17
CC(C)C1=CC=NC(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300020017441	0	48	-1.0	-38.93	387.39	6.29	-32.64
CC(C)C1=CC=NC(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300020017441	1	48	-1.0	-38.89	387.46	6.29	-32.60
CCOC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1OC	REAL300020017442	0	40	-1.0	-36.01	344.19	0.89	-35.12
CCOC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1OC	REAL300020017442	1	40	-1.0	-35.99	344.26	0.90	-35.09
COC(=O)C(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017443	0	35	-1.0	-38.08	313.56	-0.97	-39.05
COC(=O)C(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017443	1	35	-1.0	-38.10	313.62	-0.96	-39.06
CC(C)C1=NOC(CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)=N1	REAL300020017444	0	46	-1.0	-51.30	389.69	4.47	-46.83
CC(C)C1=NOC(CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)=N1	REAL300020017444	1	46	-1.0	-51.30	389.75	4.49	-46.81
CC(C)C1=NOC(CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)=N1	REAL300020017445	0	46	-1.0	-39.76	400.26	4.27	-35.49
CC(C)C1=NOC(CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)=N1	REAL300020017445	1	46	-1.0	-39.73	400.33	4.27	-35.46
COC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL300020017446	0	37	-1.0	-35.96	311.73	-0.78	-36.74
COC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL300020017446	1	37	-1.0	-35.92	311.79	-0.78	-36.70
CCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC	REAL300020017447	0	40	-1.0	-39.31	347.92	3.79	-35.52
CCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC	REAL300020017447	1	40	-1.0	-39.30	347.99	3.80	-35.50
COC1=CC=C2C(=C1)CCCC2CNC(=O)CCCC1=N[N-]N=N1	REAL300020017448	0	46	-1.0	-49.31	365.10	5.13	-44.18
COC1=CC=C2C(=C1)CCCC2CNC(=O)CCCC1=NN=N[N-]1	REAL300020017448	1	46	-1.0	-49.33	365.15	5.15	-44.18
COC1=CC=C2C(=C1)CCCC2CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017449	0	46	-1.0	-37.03	375.67	4.92	-32.11
COC1=CC=C2C(=C1)CCCC2CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017449	1	46	-1.0	-37.02	375.73	4.93	-32.09
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC2(CNC(=O)C2)C1	REAL300020017450	0	40	-1.0	-46.70	323.62	1.95	-44.75
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC2(CNC(=O)C2)C1	REAL300020017450	1	40	-1.0	-46.61	323.68	1.97	-44.64
COC1=CC=C(CN2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2=O)C=C1	REAL300020017451	0	50	-1.0	-54.77	400.90	5.89	-48.88
COC1=CC=C(CN2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2=O)C=C1	REAL300020017451	1	50	-1.0	-54.81	400.96	5.90	-48.91
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(Br)C=CC(Cl)=C2C1	REAL300020017452	0	36	-1.0	-45.38	327.86	6.69	-38.69
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(Br)C=CC(Cl)=C2C1	REAL300020017452	1	36	-1.0	-45.39	327.92	6.71	-38.68
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1NC(=O)CC[NH+](C)C	REAL300020017453	0	51	0.0	-82.31	405.26	5.21	-77.10
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1NC(=O)CC[NH+](C)C	REAL300020017453	1	51	0.0	-82.33	405.32	5.23	-77.10
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1NC(=O)CC[NH+](C)C	REAL300020017454	0	51	0.0	-69.83	416.76	5.04	-64.79
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1NC(=O)CC[NH+](C)C	REAL300020017454	1	51	0.0	-69.82	416.69	5.02	-64.80
CC(C)C1=CC=C(CC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL300020017455	0	51	-1.0	-47.38	403.80	9.09	-38.29
CC(C)C1=CC=C(CC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL300020017455	1	51	-1.0	-47.38	403.86	9.11	-38.27
CC(C)C1=CC=C(CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C=C1	REAL300020017456	0	51	-1.0	-37.62	411.33	9.28	-28.34
CC(C)C1=CC=C(CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C=C1	REAL300020017456	1	51	-1.0	-37.60	411.40	9.28	-28.32
CC1=CC=C(C(CC(F)(F)F)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020017457	0	41	-1.0	-49.70	344.74	5.93	-43.77
CC1=CC=C(C(CC(F)(F)F)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020017457	1	41	-1.0	-49.72	344.80	5.95	-43.77
CC1=CC=C(C(CC(F)(F)F)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020017458	0	41	-1.0	-38.04	355.32	5.72	-32.32
CC1=CC=C(C(CC(F)(F)F)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020017458	1	41	-1.0	-38.06	355.39	5.74	-32.32
O=C(NC1CCCC2=C1C=CS2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017459	0	36	-1.0	-37.06	315.66	4.07	-32.99
O=C(NC1CCCC2=C1C=CS2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017459	1	36	-1.0	-37.07	315.73	4.07	-33.00
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1N1CCC([NH+](C)C)C1	REAL300020017460	0	53	0.0	-77.49	408.91	6.27	-71.22
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1N1CCC([NH+](C)C)C1	REAL300020017460	1	53	0.0	-77.55	408.96	6.29	-71.26
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1N1CCC([NH+](C)C)C1	REAL300020017461	0	53	0.0	-60.10	419.27	6.08	-54.02
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1N1CCC([NH+](C)C)C1	REAL300020017461	1	53	0.0	-60.16	419.20	6.07	-54.09
CCOC1=CC(NC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=NC=N1	REAL300020017462	0	49	-1.0	-49.44	393.59	3.77	-45.67
CCOC1=CC(NC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=NC=N1	REAL300020017462	1	49	-1.0	-49.47	393.64	3.78	-45.69
CCOC1=CC(NC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=NC=N1	REAL300020017463	0	49	-1.0	-38.85	401.75	3.97	-34.88
CCOC1=CC(NC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=NC=N1	REAL300020017463	1	49	-1.0	-38.89	401.68	3.97	-34.92
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020017464	0	43	-1.0	-48.94	339.21	4.05	-44.89
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020017464	1	43	-1.0	-48.95	339.27	4.07	-44.88
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020017465	0	43	-1.0	-36.66	346.89	4.31	-32.35
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020017465	1	43	-1.0	-36.74	346.96	4.32	-32.42
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CCCC1=N[N-]N=N1	REAL300020017466	0	47	-1.0	-49.99	379.79	4.62	-45.37
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CCCC1=NN=N[N-]1	REAL300020017466	1	47	-1.0	-50.00	379.84	4.64	-45.36
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017467	0	47	-1.0	-37.56	390.37	4.42	-33.14
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017467	1	47	-1.0	-37.52	390.43	4.44	-33.08
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020017468	0	51	0.0	-59.74	390.62	8.75	-50.99
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020017468	1	51	0.0	-59.04	391.20	8.59	-50.45
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020017468	1	51	0.0	-59.72	390.67	8.77	-50.95
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020017468	1	51	0.0	-59.08	391.26	8.60	-50.48
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020017469	0	51	0.0	-57.02	396.60	9.55	-47.47
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020017469	1	51	0.0	-57.11	397.21	9.50	-47.61
O=C(CCCC1=N[N-]N=N1)N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020017470	0	43	-1.0	-50.14	354.78	9.05	-41.09
O=C(CCCC1=NN=N[N-]1)N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020017470	1	43	-1.0	-50.12	354.84	9.07	-41.05
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020017471	0	43	-1.0	-37.44	361.68	9.22	-28.22
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020017471	1	43	-1.0	-37.33	361.75	9.23	-28.10
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2O1	REAL300020017472	0	38	-1.0	-37.99	337.95	4.38	-33.61
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2O1	REAL300020017472	1	38	-1.0	-37.98	338.02	4.39	-33.59
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(OC)C(OC)=C1	REAL300020017473	0	55	-1.0	-51.02	419.35	5.50	-45.52
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(OC)C(OC)=C1	REAL300020017473	1	55	-1.0	-50.99	419.41	5.51	-45.48
CS(=O)(=O)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020017474	0	38	-1.0	-59.10	316.21	0.91	-58.19
CS(=O)(=O)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020017474	1	38	-1.0	-59.11	316.26	0.93	-58.18
CS(=O)(=O)C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020017475	0	38	-1.0	-41.52	323.88	1.17	-40.35
CS(=O)(=O)C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017475	1	38	-1.0	-41.48	323.95	1.17	-40.31
O=C(NCC1=CC=C(C(F)F)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017476	0	35	-1.0	-37.68	323.84	4.20	-33.48
O=C(NCC1=CC=C(C(F)F)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017476	1	35	-1.0	-37.62	323.91	4.21	-33.41
C[N@@H+]1CCC(O)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017477	0	39	0.0	-59.70	321.90	-0.30	-60.00
C[N@H+]1CCC(O)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017477	1	39	0.0	-60.34	321.91	-0.36	-60.70
O=C(CCCC1=N[N-]N=N1)NC1CCC(O)(C2=CC=CC=C2)CC1	REAL300020017478	0	46	-1.0	-48.12	363.47	3.61	-44.51
O=C(CCCC1=NN=N[N-]1)NC1CCC(O)(C2=CC=CC=C2)CC1	REAL300020017478	1	46	-1.0	-48.15	363.53	3.62	-44.53
COCC1=CC=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)O1	REAL300020017479	0	43	-1.0	-54.34	358.54	4.57	-49.77
COCC1=CC=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)O1	REAL300020017479	1	43	-1.0	-54.34	358.59	4.58	-49.76
COCC1=CC=C(C2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300020017480	0	43	-1.0	-42.44	365.70	4.83	-37.61
COCC1=CC=C(C2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300020017480	1	43	-1.0	-42.44	365.77	4.83	-37.61
COCC1CCCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020017481	0	42	-1.0	-37.58	321.11	5.39	-32.19
COCC1CCCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017481	1	42	-1.0	-37.56	321.16	5.39	-32.17
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(C)(C)C1	REAL300020017482	0	44	-1.0	-35.04	339.89	5.90	-29.14
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)(C)C1	REAL300020017482	1	44	-1.0	-34.98	339.96	5.91	-29.07
O=C(CCCC1=N[N-]N=N1)N1CCCC(CC2=CSC3=CC=CC=C23)C1	REAL300020017483	0	48	-1.0	-49.51	385.67	8.92	-40.59
O=C(CCCC1=NN=N[N-]1)N1CCCC(CC2=CSC3=CC=CC=C23)C1	REAL300020017483	1	48	-1.0	-49.52	385.73	8.93	-40.59
CC(C)(C)OC(=O)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020017484	0	47	-1.0	-52.66	357.62	7.06	-45.60
CC(C)(C)OC(=O)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020017484	1	47	-1.0	-52.71	357.68	7.08	-45.63
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300020017485	0	44	-1.0	-61.72	375.68	1.98	-59.74
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300020017485	1	44	-1.0	-61.79	375.74	1.99	-59.80
O=C(NCC1=CC=CC(N2CCCS2(=O)=O)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017486	0	44	-1.0	-51.72	387.18	1.86	-49.86
O=C(NCC1=CC=CC(N2CCCS2(=O)=O)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017486	1	44	-1.0	-51.63	387.24	1.86	-49.77
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020017487	0	39	-1.0	-48.35	329.86	1.99	-46.36
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020017487	1	39	-1.0	-48.37	329.92	2.00	-46.37
CC(O)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1Cl	REAL300020017488	0	39	-1.0	-37.73	340.74	1.83	-35.90
CC(O)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1Cl	REAL300020017488	1	39	-1.0	-37.75	340.80	1.83	-35.92
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020017489	0	40	-1.0	-50.90	341.38	5.22	-45.68
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020017489	1	40	-1.0	-50.94	341.44	5.24	-45.70
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020017490	0	40	-1.0	-40.69	347.41	5.43	-35.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020017490	1	40	-1.0	-40.68	347.48	5.44	-35.24
CCOC1=CC=C(C2=CN(C3CN(C(=O)CCCC4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020017491	0	49	-1.0	-58.04	411.26	5.46	-52.58
CCOC1=CC=C(C2=CN(C3CN(C(=O)CCCC4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020017491	1	49	-1.0	-58.05	411.32	5.48	-52.57
CC(C)N1N=CC2=C1C(NC(=O)CCCC1=N[N-]N=N1)CCC2	REAL300020017492	0	45	-1.0	-46.52	360.80	5.18	-41.34
CC(C)N1N=CC2=C1C(NC(=O)CCCC1=NN=N[N-]1)CCC2	REAL300020017492	1	45	-1.0	-46.55	360.86	5.19	-41.36
CC(C)N1N=CC2=C1C(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCC2	REAL300020017493	0	45	-1.0	-35.95	371.41	4.99	-30.96
CC(C)N1N=CC2=C1C(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCC2	REAL300020017493	1	45	-1.0	-35.94	371.48	4.99	-30.95
O=C(CCCC1=N[N-]N=N1)NCC(O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020017494	0	46	-1.0	-49.35	382.72	4.49	-44.86
O=C(CCCC1=NN=N[N-]1)NCC(O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020017494	1	46	-1.0	-49.40	382.78	4.51	-44.89
O=C(NCC(O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017495	0	46	-1.0	-38.80	393.32	4.30	-34.50
O=C(NCC(O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017495	1	46	-1.0	-38.78	393.38	4.30	-34.48
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(OCC2=CC=CC=C2F)C=C1	REAL300020017496	0	46	-1.0	-48.00	394.07	6.93	-41.07
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(OCC2=CC=CC=C2F)C=C1	REAL300020017496	1	46	-1.0	-48.01	394.13	6.94	-41.07
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020017497	0	46	-1.0	-51.96	401.18	6.75	-45.21
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020017497	1	46	-1.0	-51.98	401.23	6.76	-45.22
COCCN1C2=CC=CC=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020017498	0	42	-1.0	-56.99	357.53	6.49	-50.50
COCCN1C2=CC=CC=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020017498	1	42	-1.0	-56.99	357.48	6.48	-50.51
COCCN1C2=CC=CC=C2N=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017499	0	42	-1.0	-41.71	368.11	6.26	-35.45
COCCN1C2=CC=CC=C2N=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017499	1	42	-1.0	-41.70	368.05	6.26	-35.44
CC(C)OC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(C)C	REAL300020017500	0	45	-1.0	-34.69	368.25	3.90	-30.79
CC(C)OC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(C)C	REAL300020017500	1	45	-1.0	-34.63	368.31	3.90	-30.73
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020017501	0	42	-1.0	-48.76	358.56	7.31	-41.45
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020017501	1	42	-1.0	-48.80	358.62	7.32	-41.48
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020017502	0	42	-1.0	-37.08	365.47	7.49	-29.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020017502	1	42	-1.0	-37.12	365.54	7.49	-29.63
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1OC(C)C	REAL300020017503	0	43	-1.0	-49.61	351.71	4.10	-45.51
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1OC(C)C	REAL300020017503	1	43	-1.0	-49.60	351.77	4.12	-45.48
COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1OC(C)C	REAL300020017504	0	43	-1.0	-37.59	362.45	3.89	-33.70
COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1OC(C)C	REAL300020017504	1	43	-1.0	-37.60	362.38	3.88	-33.72
CCC(CC(F)(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017505	0	34	-1.0	-38.54	300.79	3.32	-35.22
CCC(CC(F)(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017505	1	34	-1.0	-38.45	300.85	3.33	-35.12
O=C(CCCC1=N[N-]N=N1)N1CCC(NC(=O)NC2CC2)C1	REAL300020017506	0	42	-1.0	-50.75	348.54	1.58	-49.17
O=C(CCCC1=NN=N[N-]1)N1CCC(NC(=O)NC2CC2)C1	REAL300020017506	1	42	-1.0	-50.74	348.59	1.60	-49.14
O=C(NC1CC1)NC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020017507	0	42	-1.0	-42.18	356.02	1.85	-40.33
O=C(NC1CC1)NC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017507	1	42	-1.0	-42.15	356.09	1.86	-40.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2=C(F)C=CC=C21	REAL300020017508	0	33	-1.0	-35.65	290.82	5.78	-29.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2=C(F)C=CC=C21	REAL300020017508	1	33	-1.0	-35.71	290.89	5.80	-29.91
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020017509	0	44	-1.0	-59.56	375.69	1.98	-57.58
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020017509	1	44	-1.0	-59.58	375.75	2.00	-57.58
O=C(NCC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017510	0	44	-1.0	-48.97	386.29	1.77	-47.20
O=C(NCC1=CC=C(N2CCCS2(=O)=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017510	1	44	-1.0	-48.88	386.36	1.78	-47.10
COC(=O)C1=CN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)N=N1	REAL300020017511	0	41	-1.0	-55.62	353.26	2.78	-52.84
COC(=O)C1=CN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)N=N1	REAL300020017511	1	41	-1.0	-55.57	353.20	2.77	-52.80
COC(=O)C1=CN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)N=N1	REAL300020017512	0	41	-1.0	-40.51	360.01	2.98	-37.53
COC(=O)C1=CN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)N=N1	REAL300020017512	1	41	-1.0	-40.48	359.94	2.97	-37.51
CCC1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017513	0	42	-1.0	-35.38	333.62	7.24	-28.14
CCC1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017513	1	42	-1.0	-35.31	333.68	7.23	-28.08
CC1(C2=CC=C(F)C(F)=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300020017514	0	39	-1.0	-46.29	341.87	5.94	-40.35
CC1(C2=CC=C(F)C(F)=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300020017514	1	39	-1.0	-46.29	341.93	5.95	-40.34
CC1(C2=CC=C(F)C(F)=C2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017515	0	39	-1.0	-37.49	352.47	5.73	-31.76
CC1(C2=CC=C(F)C(F)=C2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017515	1	39	-1.0	-37.46	352.54	5.73	-31.73
CN1C2=CC=CC(Cl)=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020017516	0	35	-1.0	-61.47	318.81	7.04	-54.43
CN1C2=CC=CC(Cl)=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020017516	1	35	-1.0	-61.42	318.75	7.02	-54.40
CN1C2=CC=CC(Cl)=C2N=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017517	0	35	-1.0	-44.42	329.39	6.81	-37.61
CN1C2=CC=CC(Cl)=C2N=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017517	1	35	-1.0	-44.45	329.32	6.80	-37.65
O=C(CCCC1=N[N-]N=N1)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300020017518	0	46	-1.0	-52.84	393.13	6.02	-46.82
O=C(CCCC1=NN=N[N-]1)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300020017518	1	46	-1.0	-52.84	393.19	6.03	-46.81
CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020017519	0	46	-1.0	-44.74	363.28	4.81	-39.93
CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020017519	1	46	-1.0	-44.71	363.34	4.82	-39.89
CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300020017520	0	46	-1.0	-36.65	373.86	4.59	-32.06
CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300020017520	1	46	-1.0	-36.58	373.94	4.60	-31.98
CC1=CC=CC=C1C1C(=O)NCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020017521	0	43	-1.0	-52.71	341.45	3.67	-49.04
CC1=CC=CC=C1C1C(=O)NCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020017521	1	43	-1.0	-52.71	341.51	3.68	-49.03
CC1=CC=CC=C1C1C(=O)NCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017522	0	43	-1.0	-40.62	346.69	4.38	-36.24
CC1=CC=CC=C1C1C(=O)NCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017522	1	43	-1.0	-40.61	346.75	4.39	-36.22
CC1(C2=CC=C(F)C=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300020017523	0	39	-1.0	-46.77	335.57	5.89	-40.88
CC1(C2=CC=C(F)C=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300020017523	1	39	-1.0	-46.76	335.63	5.90	-40.86
CC1(C2=CC=C(F)C=C2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017524	0	39	-1.0	-37.51	346.16	5.68	-31.83
CC1(C2=CC=C(F)C=C2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017524	1	39	-1.0	-37.44	346.23	5.68	-31.76
CC(C)(C)OC(=O)NCCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020017525	0	55	-1.0	-52.39	438.87	6.11	-46.28
CC(C)(C)OC(=O)NCCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020017525	1	55	-1.0	-52.40	438.93	6.13	-46.27
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=NC=CC=C12	REAL300020017526	0	41	-1.0	-49.40	343.14	4.23	-45.17
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=NC=CC=C12	REAL300020017526	1	41	-1.0	-49.43	343.08	4.22	-45.21
CCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=NC=CC=C12	REAL300020017527	0	41	-1.0	-39.92	354.55	3.99	-35.93
CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=NC=CC=C12	REAL300020017527	1	41	-1.0	-39.96	354.49	3.98	-35.98
O=C(NC1=NNC(C2CCC2)=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017528	0	35	-1.0	-40.03	307.81	4.65	-35.38
O=C(NC1=NNC(C2CCC2)=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017528	1	35	-1.0	-40.03	307.88	4.67	-35.36
CCOC(=O)C(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017529	0	38	-1.0	-37.76	335.42	-0.04	-37.80
CCOC(=O)C(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017529	1	38	-1.0	-37.73	335.49	-0.03	-37.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC2=CNN=C2C=C1	REAL300020024202	0	33	-1.0	-46.85	295.99	-0.01	-46.86
O=C(CN1CC(C(F)(F)F)CCC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024203	0	41	-1.0	-49.20	355.33	2.94	-46.26
CCC1=NC=C(Cl)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020024204	0	35	-1.0	-40.61	320.98	2.23	-38.38
CC1=CC2=C(C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N2)S1	REAL300020024205	0	35	-1.0	-43.79	318.41	2.87	-40.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300020024206	0	38	-1.0	-51.68	346.74	5.48	-46.20
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)=C2	REAL300020024207	0	47	-1.0	-49.50	373.50	3.59	-45.91
N#CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]1	REAL300020024208	0	31	-2.0	-77.17	293.20	-0.51	-77.68
CC1=CC(F)=C(Br)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024209	0	34	-1.0	-40.64	315.97	4.40	-36.24
CCCC(CC)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024210	0	42	-1.0	-46.97	329.86	4.05	-42.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC2=C1CSC2	REAL300020024211	0	33	-1.0	-51.08	302.40	2.67	-48.41
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024212	0	52	-1.0	-42.34	410.10	7.33	-35.01
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CNC(=O)CC12CCOC2	REAL300020024213	0	43	-1.0	-54.01	337.90	-1.14	-55.15
CN1N=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C1=CC=C(Cl)C=C1	REAL300020024214	0	41	-1.0	-47.76	368.05	4.58	-43.18
CC1=CC=C2OC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2=C1	REAL300020024215	0	37	-1.0	-48.37	323.06	4.06	-44.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2SCCCC2=C1	REAL300020024216	0	39	-1.0	-43.45	335.28	5.25	-38.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2SCCCCC2=C1	REAL300020024217	0	42	-1.0	-42.97	352.30	5.86	-37.11
CC1=CC=C2C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=COC2=C1	REAL300020024218	0	37	-1.0	-52.29	322.79	4.08	-48.21
COC(=O)CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024219	0	43	-1.0	-46.88	371.31	5.29	-41.59
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=NNC=C2N=C1	REAL300020024220	0	33	-1.0	-48.68	293.03	0.02	-48.66
CC(C)=CCC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300020024221	0	44	-1.0	-42.88	372.43	6.49	-36.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(C=C(Cl)S2)N1	REAL300020024222	0	32	-1.0	-42.15	313.58	2.67	-39.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300020024223	0	38	-1.0	-44.24	339.42	2.62	-41.62
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024224	0	39	-1.0	-50.16	338.49	4.09	-46.07
COC1(C(F)(F)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOCC1	REAL300020024225	0	42	-1.0	-42.80	338.13	1.62	-41.18
CC(C)(C)C1=NN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020024226	0	41	-1.0	-55.96	351.64	1.37	-54.59
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C(F)(F)C12CC2	REAL300020024227	0	32	-1.0	-46.37	293.54	3.14	-43.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300020024228	0	42	-1.0	-42.65	366.76	6.12	-36.53
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300020024229	0	41	-1.0	-45.08	363.51	6.99	-38.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2CC2(F)F)C=C1	REAL300020024230	0	35	-1.0	-48.96	321.15	2.58	-46.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)C1=CC=C(F)C=C1	REAL300020024231	0	34	-1.0	-45.92	307.77	3.82	-42.10
C=CCOC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024232	0	36	-1.0	-47.29	321.84	-0.65	-47.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300020024233	0	45	-1.0	-45.32	364.39	6.52	-38.80
CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Br	REAL300020024234	0	37	-1.0	-41.64	331.64	4.93	-36.71
COCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC=C1	REAL300020024235	0	35	-1.0	-42.65	309.15	0.88	-41.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC2=CC(F)=CC(F)=C12	REAL300020024236	0	34	-1.0	-49.43	311.47	3.52	-45.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(CCCF)N=N1	REAL300020024237	0	36	-1.0	-46.75	323.41	1.15	-45.60
N#CC1=C2N=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN2N=C1	REAL300020024238	0	34	-1.0	-47.98	316.27	2.44	-45.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=C(OCC2CC2)C=C1F	REAL300020024239	0	41	-1.0	-44.06	357.48	3.20	-40.86
CCN1C=C(OC2=CN=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=N2)C=N1	REAL300020024240	0	43	-1.0	-46.19	375.71	0.98	-45.21
CN1N=CC2=C1SC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)=C2	REAL300020024241	0	34	-1.0	-43.92	314.38	2.16	-41.76
COC1=CC=CC=C1N1C=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024242	0	42	-1.0	-45.64	365.35	4.86	-40.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(C2CCOCC2)N=C1	REAL300020024243	0	43	-1.0	-43.53	358.33	1.77	-41.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL300020024244	0	46	-1.0	-45.60	389.21	4.75	-40.85
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(Br)=C1C	REAL300020024245	0	37	-1.0	-41.88	329.10	4.78	-37.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2C=CCC(C2)C1	REAL300020024246	0	42	-1.0	-45.79	326.59	4.62	-41.17
COC1=CN=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024247	0	34	-1.0	-44.37	297.24	0.55	-43.82
CC1CCN(C2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CC1	REAL300020024248	0	49	-1.0	-43.22	386.52	4.91	-38.31
O=C(C[C@H]1COC(=O)N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024249	0	33	-1.0	-55.45	288.75	-1.85	-57.30
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024250	0	42	-1.0	-48.52	350.90	2.07	-46.45
COC1=CC=C(C(C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020024251	0	41	-1.0	-54.94	349.48	3.64	-51.30
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(F)(F)C1	REAL300020024252	0	38	-1.0	-50.76	329.89	3.15	-47.61
O=C(COC1CCCOC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024253	0	39	-1.0	-50.47	325.14	1.26	-49.21
CC(C)(C)C1(C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024254	0	46	-1.0	-46.42	351.35	4.50	-41.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300020024255	0	37	-1.0	-41.84	339.28	1.58	-40.26
O=C(COCC1=NC(C2CC2)=NO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024256	0	40	-1.0	-54.30	354.75	1.14	-53.16
CN1CCC2=CC(CC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020024257	0	43	-1.0	-46.97	358.09	3.59	-43.38
CC1=CC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1C	REAL300020024258	0	40	-1.0	-46.58	341.30	2.69	-43.89
O=C(CN1C=NC(Br)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024259	0	31	-1.0	-52.37	299.87	3.31	-49.06
CN1N=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020024260	0	31	-1.0	-42.14	284.77	0.81	-41.33
CC1(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1(F)F	REAL300020024261	0	34	-1.0	-43.06	294.36	2.83	-40.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12CCC[C@H]1CC(=O)C2	REAL300020024262	0	40	-1.0	-48.53	325.19	3.29	-45.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C(=C1)CNC2=O	REAL300020024263	0	36	-1.0	-47.52	314.93	0.53	-46.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=C(Cl)C=N1	REAL300020024264	0	29	-1.0	-43.13	282.57	1.02	-42.11
CCS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024265	0	42	-1.0	-48.44	367.48	0.67	-47.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1C(F)F	REAL300020024266	0	34	-1.0	-53.84	298.25	3.98	-49.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=CN=C2)=NO1	REAL300020024267	0	36	-1.0	-42.39	326.63	2.28	-40.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2NC=CC2=N1	REAL300020024268	0	34	-1.0	-46.68	301.22	1.34	-45.34
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1CC	REAL300020024269	0	40	-1.0	-44.66	332.22	2.74	-41.92
N#CC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300020024270	0	35	-1.0	-48.75	323.60	4.15	-44.60
CCC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300020024271	0	40	-1.0	-46.56	325.35	4.23	-42.33
O=C(CC(C1=CC=CC=C1)C(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024272	0	40	-1.0	-47.18	341.42	5.08	-42.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2CCOCC2=C1	REAL300020024273	0	39	-1.0	-44.67	326.41	3.13	-41.54
CCOCC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020024274	0	37	-1.0	-43.49	337.39	0.80	-42.69
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=NN1C1CCOC1	REAL300020024275	0	41	-1.0	-47.38	345.86	0.17	-47.21
CC(=O)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020024276	0	36	-1.0	-47.25	318.44	3.56	-43.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CC(=O)N2)C1	REAL300020024277	0	36	-1.0	-53.63	310.33	-0.92	-54.55
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2=NN=NN2C1	REAL300020024278	0	36	-1.0	-51.65	306.51	0.78	-50.87
COCN1N=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024279	0	35	-1.0	-48.76	306.71	-0.61	-49.37
CC1=C2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)NC2=CC(Cl)=C1	REAL300020024280	0	38	-1.0	-42.10	343.94	4.14	-37.96
CC1=C(C)NC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020024281	0	40	-1.0	-45.99	340.05	2.33	-43.66
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL300020024281	1	41	0.0	-63.28	343.12	2.76	-60.52
N#CCCCOC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024282	0	45	-1.0	-52.67	391.02	5.28	-47.39
O=C(CN1N=NN=C1C1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024283	0	36	-1.0	-54.97	319.08	1.63	-53.34
CC(C)(C)OC(=O)NCCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024284	0	48	-1.0	-55.24	408.62	1.87	-53.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300020024285	0	41	-1.0	-45.27	353.45	6.12	-39.15
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300020024286	0	41	-1.0	-45.98	343.12	5.68	-40.30
O=C(CC1(N2C=NN=N2)CCSCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024287	0	43	-1.0	-49.40	351.34	3.24	-46.16
NC(=O)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300020024288	0	35	-1.0	-46.96	319.66	0.36	-46.60
CCN1C=C(Cl)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020024289	0	34	-1.0	-45.98	314.73	2.23	-43.75
CN1N=CC=C1C1=NNC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024290	0	38	-1.0	-52.96	334.55	0.71	-52.25
CN1N=CC=C1C1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1	REAL300020024290	1	38	-1.0	-47.25	335.05	0.58	-46.67
COC1=NC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Br	REAL300020024291	0	34	-1.0	-46.71	315.67	0.44	-46.27
CC(C)C1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300020024292	0	36	-1.0	-41.68	315.99	-0.23	-41.91
CC(C)CC1=NN=C2C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=CN12	REAL300020024293	0	45	-1.0	-51.78	373.21	6.23	-45.55
COC1(C(F)(F)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL300020024294	0	38	-1.0	-40.29	318.90	2.84	-37.45
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOCC1	REAL300020024295	0	44	-1.0	-48.80	337.06	2.67	-46.13
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(CC(F)(F)F)=N1	REAL300020024296	0	33	-1.0	-46.80	322.38	1.93	-44.87
CC(C)(C)OC1CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C12CCC2	REAL300020024297	0	54	-1.0	-46.98	418.53	5.63	-41.35
N#C[C@@]1(O)C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024298	0	33	-1.0	-45.98	295.36	-1.08	-47.06
O=C(CCC1CCC(=O)NC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024299	0	41	-1.0	-53.02	337.05	0.71	-52.31
O=C(CC1CSC2=CC=CC=C2NC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024300	0	43	-1.0	-54.68	366.30	4.86	-49.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC2=C(F)C=C(F)C=C12	REAL300020024301	0	34	-1.0	-51.20	314.22	3.53	-47.67
CCC1=CC=CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=C21	REAL300020024302	0	42	-1.0	-43.48	357.86	5.07	-38.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL300020024303	0	41	-1.0	-43.74	360.15	5.95	-37.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2=NC(C3CC3)=NS2)C=N1	REAL300020024304	0	40	-1.0	-42.66	369.62	5.58	-37.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CON=C1C1CCC1	REAL300020024305	0	37	-1.0	-49.45	317.99	3.16	-46.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)CC1CCCC1	REAL300020024306	0	40	-1.0	-42.73	329.24	4.15	-38.58
CC1(C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1C(F)(F)F	REAL300020024307	0	40	-1.0	-44.66	319.69	4.30	-40.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(C1)CCCO2	REAL300020024308	0	39	-1.0	-50.27	320.17	2.06	-48.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C(=C1)CCNC2=O	REAL300020024309	0	39	-1.0	-47.09	332.22	1.52	-45.57
CC(C)N1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1=O	REAL300020024310	0	44	-1.0	-49.27	349.78	2.80	-46.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2CNC(=O)C2=C1	REAL300020024311	0	36	-1.0	-56.14	314.89	0.54	-55.60
CCOC(=O)C1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020024312	0	36	-1.0	-44.83	339.08	1.77	-43.06
NC(=O)C1=NOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024313	0	31	-1.0	-43.20	290.17	-2.84	-46.04
C[C@@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020024314	0	43	-1.0	-47.36	371.18	5.97	-41.39
C[C@@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2OCOC2=C1	REAL300020024315	0	43	-1.0	-50.74	358.48	3.62	-47.12
O=C(CC1CCCC2(CCC2)O1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024316	0	45	-1.0	-46.84	356.17	4.42	-42.42
CC(C)(C)OC(=O)N[C@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300020024317	0	51	-1.0	-54.98	405.49	3.82	-51.16
CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300020024318	0	51	-1.0	-54.52	408.41	3.10	-51.42
CC1=C(Br)C=NN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024319	0	34	-1.0	-53.73	320.20	2.21	-51.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CNC(=O)CC12CCC2	REAL300020024320	0	42	-1.0	-57.34	335.71	0.99	-56.35
COC1C[C@@H]2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@H]12	REAL300020024321	0	42	-1.0	-48.52	335.02	3.21	-45.31
O=C(CC1COCCN1CC(F)(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024322	0	43	-1.0	-45.46	356.06	0.28	-45.18
CC1=CC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C2O1	REAL300020024323	0	37	-1.0	-47.58	319.72	4.22	-43.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CCC2=CC=CC=C21	REAL300020024324	0	38	-1.0	-46.06	318.36	4.81	-41.25
CC1(C)C2CCC1(CC(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)CC2	REAL300020024325	0	47	-1.0	-43.42	351.86	5.07	-38.35
O=C(CN1C=C(C2CCOC2)C=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024326	0	42	-1.0	-51.80	354.51	1.86	-49.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C=CNC2=NC=C1	REAL300020024327	0	34	-1.0	-47.80	297.40	2.32	-45.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C=CN=C2NC=C1	REAL300020024327	1	34	-1.0	-58.39	296.93	2.44	-55.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CCC2)CC1	REAL300020024328	0	44	-1.0	-46.39	342.35	4.92	-41.47
CCC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024329	0	42	-1.0	-48.01	350.52	5.18	-42.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C=CSC2=CC=C1	REAL300020024330	0	34	-1.0	-45.41	305.33	4.39	-41.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(CN2C=C(Cl)C=N2)C=C1	REAL300020024331	0	41	-1.0	-48.48	373.54	5.22	-43.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C(F)(F)F)=CS1	REAL300020024332	0	31	-1.0	-43.31	304.69	3.09	-40.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(OCC2CC2)=C1	REAL300020024333	0	42	-1.0	-46.18	355.69	4.86	-41.32
CSC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300020024334	0	35	-1.0	-49.80	325.26	4.59	-45.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL300020024335	0	36	-1.0	-49.85	337.08	3.48	-46.37
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024336	0	53	-1.0	-45.18	401.49	2.82	-42.36
CC(F)(F)C1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024337	0	37	-1.0	-45.84	325.87	4.58	-41.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C=CSC2=C1	REAL300020024338	0	34	-1.0	-45.25	309.57	4.44	-40.81
COC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C)=N1	REAL300020024339	0	37	-1.0	-42.27	321.68	0.39	-41.88
CC1=NC=C2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CCC2=N1	REAL300020024340	0	42	-1.0	-45.94	348.25	3.36	-42.58
CC1=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)(F)F)=CO1	REAL300020024341	0	37	-1.0	-49.37	338.30	3.49	-45.88
CCC1=NC=C2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CCC2=N1	REAL300020024342	0	45	-1.0	-45.79	369.74	3.97	-41.82
CC1=CN(CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)N=C1	REAL300020024343	0	44	-1.0	-48.60	378.35	5.39	-43.21
COCCC(C)(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024344	0	43	-1.0	-46.49	338.66	2.18	-44.31
O=C(CCC1=CC=C(Br)S1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024345	0	34	-1.0	-46.12	330.89	4.35	-41.77
O=C(CC1COCCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024346	0	36	-1.0	-47.72	302.30	0.64	-47.08
CCC1(C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024347	0	40	-1.0	-46.56	321.83	3.76	-42.80
CC(C)(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)(F)F	REAL300020024348	0	39	-1.0	-43.88	314.51	3.19	-40.69
CN1C=CC(C23CC(CC2)C3C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020024349	0	45	-1.0	-46.80	368.08	4.29	-42.51
CC1=CC2=C(C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N2CC2CC2)S1	REAL300020024350	0	45	-1.0	-43.00	390.18	6.94	-36.06
O=C(CCC=CBr)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024351	0	31	-1.0	-46.78	293.35	2.78	-44.00
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)C=N1	REAL300020024352	0	36	-1.0	-46.08	305.75	2.58	-43.50
CC1=CC(F)=CC(C(C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024353	0	40	-1.0	-51.45	341.58	5.00	-46.45
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024354	0	37	-1.0	-44.78	335.06	2.70	-42.08
CC1(C)CCC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C(Cl)N=C2C1	REAL300020024355	0	46	-1.0	-45.87	379.03	5.08	-40.79
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024356	0	40	-1.0	-45.47	346.07	5.07	-40.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2=CC=NN21	REAL300020024357	0	38	-1.0	-43.55	316.00	2.72	-40.83
O=C(COC1=CC=CC=C1C(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024358	0	38	-1.0	-50.61	336.47	4.52	-46.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020024359	0	38	-1.0	-52.73	332.83	5.24	-47.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2CCCC2=C1	REAL300020024360	0	37	-1.0	-43.75	313.23	3.15	-40.60
CC1=NC(C2CC2)=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024361	0	39	-1.0	-45.87	331.51	3.39	-42.48
CCOC1=C2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)SC2=NC=C1	REAL300020024362	0	40	-1.0	-45.44	358.30	2.83	-42.61
CC1(C)CCOC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024363	0	41	-1.0	-46.44	328.97	2.58	-43.86
CC1=NN=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1C	REAL300020024364	0	39	-1.0	-51.06	334.39	3.37	-47.69
CCC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=N1	REAL300020024365	0	38	-1.0	-45.56	322.29	2.31	-43.25
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024366	0	46	-1.0	-45.81	375.20	2.42	-43.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300020024367	0	42	-1.0	-48.28	328.21	2.40	-45.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CC1C1C2C1(F)F	REAL300020024368	0	39	-1.0	-48.30	318.11	4.20	-44.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CC1(C1=CN=CS1)CC2	REAL300020024369	0	41	-1.0	-46.11	346.34	3.88	-42.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CC1)COCCO2	REAL300020024370	0	46	-1.0	-45.89	357.05	2.33	-43.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300020024371	0	42	-1.0	-44.35	355.76	5.73	-38.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300020024372	0	37	-1.0	-53.25	333.98	-3.82	-57.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300020024373	0	38	-1.0	-50.59	314.90	4.02	-46.57
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NC(C)=N1	REAL300020024374	0	35	-1.0	-43.90	308.75	1.70	-42.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCCNC2=O)O1	REAL300020024375	0	39	-1.0	-48.38	334.45	0.41	-47.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC2=CC=C(F)C=C21	REAL300020024376	0	34	-1.0	-46.31	308.03	1.79	-44.52
CCC1=NN(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300020024377	0	37	-1.0	-47.89	329.49	2.82	-45.07
O=C(CSC1=CC=CC(F)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024378	0	35	-1.0	-51.42	322.52	4.26	-47.16
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(C=C(Br)O2)N1	REAL300020024379	0	32	-1.0	-43.37	308.56	1.80	-41.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(=O)N1CCC(F)(F)F	REAL300020024380	0	41	-1.0	-56.38	359.81	2.82	-53.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(=O)NC2=NC=CC=C21	REAL300020024381	0	38	-1.0	-53.48	328.38	1.14	-52.34
CC(C)C1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)(F)F)=CO1	REAL300020024382	0	40	-1.0	-47.56	361.91	4.24	-43.32
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)(F)F)=CO1	REAL300020024383	0	37	-1.0	-47.19	341.93	3.63	-43.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCCCO2)CC1	REAL300020024384	0	42	-1.0	-45.99	336.36	3.37	-42.62
CC1(C)CCC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C(Cl)N=C2C1	REAL300020024385	0	46	-1.0	-45.87	379.03	5.08	-40.79
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NS1	REAL300020024386	0	30	-1.0	-45.06	275.93	1.51	-43.55
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2CC2)=NNC1=O	REAL300020024387	0	37	-1.0	-43.46	322.69	1.12	-42.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300020024388	0	45	-1.0	-43.42	373.78	5.02	-38.40
CC1=CC(C)=C2NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC2=C1	REAL300020024389	0	41	-1.0	-43.31	349.27	4.30	-39.01
CC1=NC2=C(NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)S1	REAL300020024390	0	34	-1.0	-45.51	313.38	0.92	-44.59
CC1(C)OCC2=C1NN=C2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024391	0	39	-1.0	-43.96	333.06	0.09	-43.87
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC(C2CCOCC2)=C1	REAL300020024392	0	42	-1.0	-43.40	350.37	0.96	-42.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CCCC2)N=C1	REAL300020024393	0	41	-1.0	-44.07	340.55	3.46	-40.61
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300020024394	0	49	-1.0	-46.53	384.29	5.40	-41.13
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC2=C1CC(F)(F)CC2	REAL300020024395	0	37	-1.0	-43.90	325.13	3.16	-40.74
O=C(CCN1C=CC2=CC=CN=C21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024396	0	40	-1.0	-50.87	346.72	4.90	-45.97
CCCC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020024397	0	36	-1.0	-42.34	325.13	2.29	-40.05
CC1=NN(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300020024398	0	34	-1.0	-42.35	317.37	1.80	-40.55
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL300020024399	0	41	-1.0	-43.18	341.82	3.19	-39.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(F)C(F)=C1	REAL300020024400	0	30	-1.0	-42.77	280.39	1.27	-41.50
COC1=CC=C2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=C2N1	REAL300020024401	0	38	-1.0	-55.78	332.64	1.18	-54.60
COC(=O)C(OC)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024402	0	34	-1.0	-50.17	303.38	1.36	-48.81
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024403	0	37	-1.0	-52.96	321.40	3.17	-49.79
COC(=O)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)S1	REAL300020024404	0	37	-1.0	-43.91	337.94	3.54	-40.37
CC(C)(C)C1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL300020024405	0	40	-1.0	-44.29	338.06	2.19	-42.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300020024406	0	34	-1.0	-55.53	320.07	3.37	-52.16
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCC2=CC=CC=C21	REAL300020024407	0	38	-1.0	-42.81	318.55	4.81	-38.00
CCN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC1=O	REAL300020024408	0	37	-1.0	-59.01	319.96	2.80	-56.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2CCOC2=C1	REAL300020024409	0	36	-1.0	-47.08	308.80	2.90	-44.18
COC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300020024410	0	34	-1.0	-48.72	304.33	0.72	-48.00
N#CCN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020024411	0	32	-1.0	-54.21	299.03	1.44	-52.77
O=C(CSC1=CC=CC(Cl)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024412	0	35	-1.0	-50.57	332.84	4.70	-45.87
O=C(CC1C[C@@H]2COC[C@H]12)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024413	0	39	-1.0	-50.40	318.58	2.07	-48.33
COCC1=CN=C(OC)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024414	0	41	-1.0	-47.49	352.81	0.63	-46.86
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024415	0	44	-1.0	-44.37	372.89	6.41	-37.96
COC1=CC=C(C(C)=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024416	0	42	-1.0	-46.25	356.90	4.36	-41.89
O=C(CN1N=NC(C2CC2)=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024417	0	36	-1.0	-56.57	321.33	1.28	-55.29
CC1(C)OC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2O1	REAL300020024418	0	40	-1.0	-46.21	341.09	3.33	-42.88
COC1=CC=C(C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)F)C=C1	REAL300020024419	0	44	-1.0	-45.14	370.60	4.39	-40.75
COC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024420	0	40	-1.0	-47.68	337.11	3.04	-44.64
CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C2=CC=C(F)C=C2)S1	REAL300020024421	0	40	-1.0	-46.45	364.72	4.68	-41.77
CC1=CSC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=CN=C12	REAL300020024422	0	35	-1.0	-42.28	321.28	3.08	-39.20
CCN1C=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020024423	0	33	-1.0	-48.96	294.86	2.35	-46.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300020024424	0	45	-1.0	-50.75	376.09	3.30	-47.45
N#CCN1N=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024425	0	32	-1.0	-50.78	294.01	1.40	-49.38
CC(CC1CCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024426	0	40	-1.0	-42.89	323.47	4.10	-38.79
O=C(CCCC1CCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024427	0	40	-1.0	-47.37	328.82	4.37	-43.00
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024428	0	51	-1.0	-44.55	406.66	2.46	-42.09
CC(C)(C)OC(=O)NCCOCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024429	0	51	-1.0	-49.38	419.54	0.64	-48.74
O=C(CSC1=CC=CC=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024430	0	34	-1.0	-45.19	313.92	2.62	-42.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300020024431	0	40	-2.0	-92.67	358.86	3.01	-89.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300020024431	1	40	-2.0	-89.81	358.94	3.06	-86.75
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=CC=C(F)C=C21	REAL300020024432	0	38	-1.0	-46.90	330.76	3.74	-43.16
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024433	0	38	-1.0	-44.94	333.40	4.96	-39.98
COC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300020024434	0	40	-1.0	-49.41	351.43	4.02	-45.39
C[C@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2OCOC2=C1	REAL300020024435	0	40	-1.0	-50.44	339.35	2.92	-47.52
CS(=O)(=O)N1CCC(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024436	0	46	-1.0	-52.74	388.62	0.07	-52.67
CC1=CN(C2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)N=C1	REAL300020024437	0	41	-1.0	-52.51	352.95	4.92	-47.59
CC(CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024438	0	40	-1.0	-47.77	347.31	5.12	-42.65
N#CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024439	0	42	-1.0	-47.13	370.56	6.79	-40.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=CC(F)=CC=C21	REAL300020024440	0	37	-1.0	-45.58	320.99	5.39	-40.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2OC=CC2=C1	REAL300020024441	0	33	-1.0	-46.22	295.01	0.33	-45.89
C=CCC(C)(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024442	0	40	-1.0	-46.48	319.92	3.72	-42.76
O=C(CCC1=CSC(Br)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024443	0	34	-1.0	-46.46	330.65	4.19	-42.27
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(CC2=CC=CC=C2)N1	REAL300020024444	0	48	-1.0	-45.43	402.84	6.56	-38.87
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NN1C1CC1(F)F	REAL300020024445	0	35	-1.0	-48.30	314.36	2.82	-45.48
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024446	0	44	-1.0	-49.89	354.70	3.14	-46.75
CCC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL300020024447	0	43	-1.0	-42.99	336.98	4.60	-38.39
CCOC1=CC=C2NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C(C)C2=C1	REAL300020024448	0	45	-1.0	-48.06	375.74	3.87	-44.19
CCC1=CC=C2NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C(C)C2=C1	REAL300020024449	0	44	-1.0	-46.41	367.21	5.11	-41.30
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=CC(C)=CC(C)=C21	REAL300020024450	0	44	-1.0	-46.51	359.79	4.80	-41.71
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=CC=C(C(C)C)C=C21	REAL300020024451	0	47	-1.0	-46.26	384.38	5.58	-40.68
CC1=CC(CC2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)=CC=C1F	REAL300020024452	0	44	-1.0	-52.08	376.29	6.33	-45.75
CC1=CC(F)=CC=C1CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024453	0	44	-1.0	-53.11	366.63	6.17	-46.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL300020024454	0	44	-1.0	-51.24	357.43	5.90	-45.34
COC(=O)C1=C2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)SC2=CC=C1	REAL300020024455	0	40	-1.0	-54.60	362.65	5.00	-49.60
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024456	0	42	-1.0	-53.42	360.79	3.15	-50.27
CC12CC3(C)CC(O)(C1)CC(C(=O)NC1=CC=C(N4N=N[N-]C4=O)C=C1)(C2)C3	REAL300020024457	0	52	-1.0	-48.00	388.88	2.61	-45.39
CC(C)(C)OC(=O)NCC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024458	0	51	-1.0	-46.87	410.96	2.42	-44.45
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024459	0	38	-1.0	-44.94	333.40	4.96	-39.98
CC(=CC1=CC=CS1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024460	0	35	-1.0	-42.96	309.34	3.96	-39.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300020024461	0	37	-1.0	-44.32	335.87	4.19	-40.13
CC1=CC=CC(C(F)(F)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024462	0	37	-1.0	-43.28	328.51	4.48	-38.80
COC1=CSC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1OC	REAL300020024463	0	36	-1.0	-50.04	325.78	1.94	-48.10
CSC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1	REAL300020024464	0	38	-1.0	-46.50	352.22	5.42	-41.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCC(C2)C1	REAL300020024465	0	41	-1.0	-42.26	315.76	4.12	-38.14
CC1=CC2=NC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300020024466	0	39	-1.0	-44.41	335.35	4.08	-40.33
COC1=C(F)C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300020024467	0	35	-1.0	-48.67	316.97	2.61	-46.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300020024468	0	37	-1.0	-58.95	336.50	3.11	-55.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC(C2=COC=C2)=C1	REAL300020024469	0	37	-1.0	-48.24	327.14	2.85	-45.39
CC1(C)C(=O)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024470	0	36	-1.0	-46.99	305.45	2.10	-44.89
CC1(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCS1(=O)=O	REAL300020024471	0	40	-1.0	-50.33	335.41	-0.15	-50.48
CCCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC=N1	REAL300020024472	0	36	-1.0	-45.84	312.94	-0.11	-45.95
CC1=CC=C(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020024473	0	36	-1.0	-45.52	307.63	2.62	-42.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@H](N2C=CN=N2)C1	REAL300020024474	0	37	-1.0	-49.99	314.85	1.36	-48.63
CCCC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024475	0	43	-1.0	-44.80	361.70	5.96	-38.84
CC(C)N1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC1=O	REAL300020024476	0	40	-1.0	-58.08	336.35	3.20	-54.88
O=C(CCCCN1C(=O)CCC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024477	0	43	-1.0	-55.61	367.33	2.77	-52.84
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C1=CC=C(F)C=C1	REAL300020024478	0	43	-1.0	-49.58	354.87	5.45	-44.13
C=CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOCC1	REAL300020024479	0	42	-1.0	-46.59	325.69	2.15	-44.44
CN1C=CC(N2C=NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)=N1	REAL300020024480	0	38	-1.0	-50.51	339.77	4.30	-46.21
CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024481	0	38	-1.0	-47.10	326.63	4.87	-42.23
CCCCC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020024482	0	39	-1.0	-42.37	346.63	3.07	-39.30
O=C(CF)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024483	0	36	-1.0	-51.68	321.47	3.69	-47.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C=CNC2=CN=C1	REAL300020024484	0	34	-1.0	-48.21	296.77	1.28	-46.93
CN(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C#N)C=C1F	REAL300020024485	0	40	-1.0	-49.21	354.60	3.24	-45.97
CC1(C)CCC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024486	0	46	-1.0	-43.57	344.84	4.59	-38.98
CCC1=NC2=CC=CC=C2C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024487	0	42	-1.0	-49.09	348.83	4.80	-44.29
COC1=CC=C(F)C=C1CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024488	0	45	-1.0	-51.57	382.78	5.06	-46.51
CC12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)CO2	REAL300020024489	0	36	-1.0	-46.05	303.79	1.14	-44.91
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1C(F)(F)F	REAL300020024490	0	32	-1.0	-43.04	303.01	2.56	-40.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(CO1)CCC2	REAL300020024491	0	39	-1.0	-42.16	309.05	1.92	-40.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(Cl)C=CC2=C1OCO2	REAL300020024492	0	34	-1.0	-49.87	318.62	2.04	-47.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(F)(F)CC1CCCC2	REAL300020024493	0	44	-1.0	-48.51	341.38	5.01	-43.50
CC1=CC=CC(C2=NOC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)=C1	REAL300020024494	0	40	-1.0	-41.60	353.09	4.72	-36.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300020024495	0	37	-1.0	-40.54	348.06	4.58	-35.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL300020024496	0	37	-1.0	-43.05	343.74	4.74	-38.31
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL300020024497	0	51	-1.0	-49.38	404.59	2.86	-46.52
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=C(C)C=CC=C12	REAL300020024498	0	41	-1.0	-46.51	345.28	4.34	-42.17
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C2=CC=CC=C2)N1	REAL300020024499	0	42	-1.0	-44.37	355.53	5.04	-39.33
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C2=CC=CC=C2)N1	REAL300020024500	0	45	-1.0	-44.43	377.18	5.76	-38.67
CCCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL300020024501	0	38	-1.0	-43.61	324.70	2.94	-40.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCOC1CCOC2	REAL300020024502	0	40	-1.0	-49.13	315.36	1.30	-47.83
CC(=O)CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300020024503	0	42	-1.0	-52.82	337.66	4.06	-48.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C1CC1)C1CCCO1	REAL300020024504	0	42	-1.0	-49.58	337.55	4.33	-45.25
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024505	0	40	-1.0	-54.06	339.57	4.78	-49.28
N#CC1CCCC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024506	0	41	-1.0	-53.96	333.58	4.02	-49.94
CCOC(=O)C12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)OC2	REAL300020024507	0	42	-1.0	-46.90	359.92	2.17	-44.73
CC1(C)CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(C)(C)O1	REAL300020024508	0	50	-1.0	-47.84	383.45	4.25	-43.59
O=C(CC1CCN2C=NC=C2C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024509	0	41	-1.0	-52.16	335.92	4.66	-47.50
O=C(CCCCCN1C=NN=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024510	0	41	-1.0	-56.59	352.73	3.27	-53.32
O=C(CCC1=NC=C(F)C=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024511	0	35	-1.0	-44.54	315.12	1.81	-42.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2NC(=O)NCC2=C1	REAL300020024512	0	38	-1.0	-47.76	326.96	0.14	-47.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(CC(F)(F)F)C1=CC=CC=C1	REAL300020024513	0	40	-1.0	-44.39	348.90	5.18	-39.21
CN1N=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC(F)=CC=C21	REAL300020024514	0	37	-1.0	-51.48	330.68	3.11	-48.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC2=C1CS(=O)(=O)C2	REAL300020024515	0	35	-1.0	-58.46	321.42	-1.04	-59.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2CCOC2)C=C1	REAL300020024516	0	42	-1.0	-44.15	347.69	3.64	-40.51
CN1C=C(C2=NOC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C=N1	REAL300020024517	0	37	-1.0	-43.97	336.35	1.90	-42.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC2=C1CCCC2	REAL300020024518	0	40	-1.0	-43.04	325.09	3.75	-39.29
CC1=CC=CN2N=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C12	REAL300020024519	0	37	-1.0	-50.76	313.48	3.49	-47.27
C=CCNC(=O)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024520	0	42	-1.0	-48.52	363.67	2.73	-45.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL300020024521	0	40	-1.0	-46.54	353.43	4.93	-41.61
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=CC(C)=CC=C21	REAL300020024522	0	41	-1.0	-46.44	345.45	4.35	-42.09
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020024523	0	40	-1.0	-49.20	352.43	4.34	-44.86
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=CC(Cl)=CC=C21	REAL300020024524	0	38	-1.0	-45.14	340.79	4.18	-40.96
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=CC(F)=CC=C21	REAL300020024525	0	38	-1.0	-45.43	330.49	3.74	-41.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=CN=NN21	REAL300020024526	0	33	-1.0	-49.41	292.30	1.76	-47.65
CC1=C2N=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CN2N=C1	REAL300020024527	0	36	-1.0	-43.26	319.18	2.71	-40.55
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Br)=CC(F)=C1F	REAL300020024528	0	31	-1.0	-44.43	305.10	3.81	-40.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(F)=C1C(F)(F)F	REAL300020024529	0	34	-1.0	-54.66	309.67	3.98	-50.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2SN=CC2=CC=C1	REAL300020024530	0	33	-1.0	-52.35	302.95	3.23	-49.12
CCC(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)NC(=O)OC(C)(C)C	REAL300020024531	0	53	-1.0	-47.64	419.18	2.92	-44.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C(F)F)C=N1	REAL300020024532	0	33	-1.0	-44.01	304.12	2.24	-41.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2SC=CC2=C(F)C=C1	REAL300020024533	0	34	-1.0	-45.09	313.48	4.48	-40.61
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C1=CC=CC=C1	REAL300020024534	0	44	-1.0	-45.38	370.36	7.17	-38.21
CC(C)(C)OC(=O)NC1(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024535	0	51	-1.0	-51.91	414.31	2.70	-49.21
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024536	0	44	-1.0	-46.63	362.71	7.17	-39.46
COC1=CC(OC)=C(Cl)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024537	0	39	-1.0	-46.73	343.41	2.21	-44.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300020024538	0	36	-1.0	-44.42	311.17	2.10	-42.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2=C1N=CS2	REAL300020024539	0	37	-1.0	-46.86	320.48	3.05	-43.81
CC1(C)CCC(F)(F)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024540	0	43	-1.0	-44.42	334.30	4.21	-40.21
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C([N+](=O)[O-])=C1	REAL300020024541	0	36	-1.0	-59.37	318.34	5.27	-54.10
CCC1=CSC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024542	0	34	-1.0	-43.19	301.69	3.39	-39.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300020024543	0	43	-1.0	-43.99	372.73	5.76	-38.23
CC(C)C1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024544	0	40	-1.0	-43.20	325.84	4.00	-39.20
CC1=CC(C)=NC(N2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)=N1	REAL300020024545	0	50	-1.0	-51.84	404.42	5.04	-46.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(C(F)(F)F)S1	REAL300020024546	0	30	-1.0	-40.86	301.43	1.37	-39.49
COC1=CC=C2NN=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2=C1	REAL300020024547	0	38	-1.0	-48.50	331.00	1.02	-47.48
COC1=CC=C2NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C(C)C2=C1	REAL300020024548	0	42	-1.0	-48.35	353.89	2.95	-45.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)C1=CSC=C1Br	REAL300020024549	0	30	-1.0	-39.79	302.45	2.47	-37.32
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024550	0	40	-1.0	-44.44	347.52	5.16	-39.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300020024551	0	41	-1.0	-51.86	352.37	2.58	-49.28
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NNC1=O	REAL300020024552	0	33	-1.0	-42.29	294.57	-0.76	-43.05
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C=CC=CN2N=N1	REAL300020024553	0	33	-1.0	-48.29	296.34	1.42	-46.87
CC1CCC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1C	REAL300020024554	0	46	-1.0	-47.10	348.43	4.85	-42.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300020024555	0	44	-1.0	-46.43	340.45	4.04	-42.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(F)(F)F)CC2CCC1C2	REAL300020024556	0	41	-1.0	-40.97	329.97	4.25	-36.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1CC(F)(F)F	REAL300020024557	0	37	-1.0	-45.09	323.72	4.78	-40.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CC2=NC=CC=C21	REAL300020024558	0	35	-1.0	-43.18	306.26	1.69	-41.49
CCN(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)OC(C)(C)C	REAL300020024559	0	50	-1.0	-50.38	401.78	4.00	-46.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)CCN1C=CN=N1	REAL300020024560	0	36	-1.0	-47.39	325.36	1.43	-45.96
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024561	0	37	-1.0	-42.57	327.54	4.31	-38.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)CCN1C=CC=N1	REAL300020024562	0	37	-1.0	-47.40	331.65	2.62	-44.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(CN2CCOCC2)C=CO1	REAL300020024563	0	44	-1.0	-47.15	364.65	0.17	-46.98
CC(C)C1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300020024564	0	40	-1.0	-48.33	336.32	5.00	-43.33
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024565	0	40	-1.0	-46.01	337.40	5.05	-40.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020024566	0	37	-1.0	-48.68	322.69	5.37	-43.31
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C([N+](=O)[O-])=C1	REAL300020024567	0	45	-1.0	-51.12	375.80	6.61	-44.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300020024568	0	53	-1.0	-42.61	407.08	8.23	-34.38
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC2=CC=CC=C21	REAL300020024569	0	47	-1.0	-45.86	360.84	6.33	-39.53
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C(F)(F)CF)C=C1	REAL300020024570	0	37	-1.0	-45.21	332.67	4.72	-40.49
COC(=O)C1=CSC2=C1NC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)=C2	REAL300020024571	0	38	-1.0	-45.64	352.68	2.72	-42.92
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N2)S1	REAL300020024572	0	38	-1.0	-44.44	352.92	2.85	-41.59
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)C1=CN=CC=N1	REAL300020024573	0	32	-1.0	-45.96	295.69	0.82	-45.14
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CON=C1C1=CC=CC=C1	REAL300020024574	0	37	-1.0	-51.64	325.06	4.06	-47.58
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024575	0	47	-1.0	-51.05	391.84	1.32	-49.73
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024576	0	45	-1.0	-44.52	370.10	6.84	-37.68
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024577	0	45	-1.0	-44.71	371.60	6.58	-38.13
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024578	0	34	-1.0	-49.45	304.96	2.24	-47.21
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024579	0	40	-1.0	-47.85	347.71	5.16	-42.69
CN1C(=O)N(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1C1CC1	REAL300020024580	0	41	-1.0	-57.68	358.47	3.50	-54.18
CCN1C(C)=NN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020024581	0	40	-1.0	-55.57	348.09	2.96	-52.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300020024582	0	45	-1.0	-44.46	379.19	7.00	-37.46
CC(C)(C)C1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020024583	0	39	-1.0	-45.11	334.41	0.62	-44.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=CC=CC=C2C1	REAL300020024584	0	36	-1.0	-44.10	313.51	4.80	-39.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2C(=C1)C=CNC2=O	REAL300020024585	0	36	-1.0	-51.46	319.56	0.50	-50.96
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C(F)=C1	REAL300020024586	0	40	-1.0	-52.04	341.01	4.75	-47.29
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024587	0	44	-1.0	-49.62	369.56	5.60	-44.02
COC1=CC=CC=C1N1N=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024588	0	42	-1.0	-48.11	359.95	3.71	-44.40
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2=CC=CC=C2F)=NO1	REAL300020024589	0	40	-1.0	-44.57	354.74	4.74	-39.83
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CCC1	REAL300020024590	0	42	-1.0	-50.65	338.82	2.70	-47.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOCC12CCCCC2	REAL300020024591	0	48	-1.0	-48.76	355.68	3.56	-45.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(F)(F)F)CC2CCC1CC2	REAL300020024592	0	44	-1.0	-43.94	341.07	4.94	-39.00
CC(F)(F)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020024593	0	40	-1.0	-45.54	339.50	5.11	-40.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC=C2)CCOC1	REAL300020024594	0	42	-1.0	-46.16	340.79	3.56	-42.60
CC1=CC=C(C2CCCCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024595	0	50	-1.0	-45.03	384.80	7.02	-38.01
CC12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)OC2	REAL300020024596	0	36	-1.0	-41.24	302.83	1.26	-39.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CC2)CCCO1	REAL300020024597	0	39	-1.0	-44.85	316.82	2.82	-42.03
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024598	0	45	-1.0	-60.36	383.93	4.72	-55.64
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024599	0	51	-1.0	-47.98	409.11	0.60	-47.38
CCC(C)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)N1	REAL300020024600	0	43	-1.0	-49.83	354.36	2.94	-46.89
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024601	0	53	-1.0	-50.70	419.16	7.18	-43.52
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024602	0	41	-1.0	-46.12	359.72	5.36	-40.76
CC1=CC=C(OC(C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=C1	REAL300020024603	0	44	-1.0	-51.21	364.40	5.53	-45.68
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024604	0	44	-1.0	-50.19	369.40	-0.65	-50.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300020024605	0	37	-1.0	-45.42	331.29	5.82	-39.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300020024606	0	40	-1.0	-44.46	348.46	4.76	-39.70
CN1C=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020024607	0	33	-1.0	-52.77	290.35	1.87	-50.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(Cl)SC2=C1SN=N2	REAL300020024608	0	29	-1.0	-41.70	309.17	1.38	-40.32
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)=C2	REAL300020024609	0	38	-1.0	-47.16	344.07	1.86	-45.30
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)=C2	REAL300020024609	1	37	-2.0	-88.16	341.79	1.39	-86.77
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)NC2=C1	REAL300020024610	0	44	-1.0	-44.80	381.84	4.28	-40.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300020024611	0	42	-1.0	-46.79	363.07	5.32	-41.47
COC(=O)C1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300020024612	0	40	-1.0	-48.30	337.80	4.25	-44.05
C=CCCC(CC(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024613	0	46	-1.0	-46.37	361.64	5.22	-41.15
C=CCC(CC(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024614	0	43	-1.0	-47.12	343.96	4.42	-42.70
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CC1	REAL300020024615	0	49	-1.0	-47.74	392.26	2.19	-45.55
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300020024616	0	44	-1.0	-51.49	377.89	5.63	-45.86
CC(C)(C)C1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NO1	REAL300020024617	0	41	-1.0	-39.43	337.55	2.16	-37.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=CSC=C2)C=C1	REAL300020024618	0	38	-1.0	-44.16	337.94	5.48	-38.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2CCOC(=O)C2=C1	REAL300020024619	0	38	-1.0	-59.95	328.75	3.98	-55.97
CC(C)COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL300020024620	0	46	-1.0	-48.37	370.72	4.58	-43.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(CC(F)(F)F)C=N1	REAL300020024621	0	34	-1.0	-48.27	319.19	3.58	-44.69
O=C(CCCCC1CSSC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024622	0	42	-1.0	-47.47	365.16	6.23	-41.24
CNC(=O)N1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024623	0	43	-1.0	-52.89	348.02	1.02	-51.87
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300020024624	0	36	-1.0	-42.63	323.89	3.97	-38.66
CC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024625	0	39	-1.0	-51.49	333.13	4.53	-46.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2N=CC=CN12	REAL300020024626	0	33	-1.0	-52.45	293.17	3.93	-48.52
O=C(CC1=CC(Br)=CS1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024627	0	31	-1.0	-48.40	309.28	3.46	-44.94
CC1OC2(C)CC1(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020024628	0	39	-1.0	-45.58	317.30	2.06	-43.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12COC(C=CC1)C2	REAL300020024629	0	37	-1.0	-41.55	302.54	1.73	-39.82
CN1C=C(C2=CC=CC=C2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020024630	0	41	-1.0	-54.27	348.73	4.33	-49.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2CCC2)ON=C1	REAL300020024631	0	37	-1.0	-41.80	317.65	3.40	-38.40
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CN=C2C=C1	REAL300020024632	0	39	-1.0	-44.53	335.77	3.68	-40.85
COC1(C2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)COC1	REAL300020024633	0	43	-1.0	-47.80	353.19	2.36	-45.44
COCCN1C=CC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C21	REAL300020024634	0	45	-1.0	-47.65	379.74	4.75	-42.90
CC(C)N1C=CC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C21	REAL300020024635	0	44	-1.0	-47.98	364.43	6.16	-41.82
C[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C=C1	REAL300020024636	0	37	-1.0	-45.34	319.85	4.34	-41.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@@H](C2=CC=CC=C2)C1	REAL300020024637	0	41	-1.0	-48.78	341.24	5.52	-43.26
CCC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC(F)(F)F	REAL300020024638	0	39	-1.0	-50.76	322.73	3.55	-47.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12COC(C1)CCC2	REAL300020024639	0	39	-1.0	-42.57	308.13	1.71	-40.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(CO1)C2	REAL300020024640	0	36	-1.0	-44.99	297.64	1.27	-43.72
CC12CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(CO1)C2	REAL300020024641	0	39	-1.0	-46.06	319.27	1.76	-44.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300020024642	0	37	-1.0	-45.17	344.23	4.33	-40.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300020024643	0	37	-1.0	-44.78	354.55	4.78	-40.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300020024644	0	37	-1.0	-45.78	354.56	4.78	-41.00
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=CC(F)=CC(F)=C21	REAL300020024645	0	38	-1.0	-46.12	334.88	3.74	-42.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020024646	0	41	-1.0	-51.26	353.89	1.60	-49.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CC2F)C1	REAL300020024647	0	35	-1.0	-44.05	302.75	3.49	-40.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN2CC(F)CC2=C1	REAL300020024648	0	35	-1.0	-48.25	308.62	1.77	-46.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCN(CCC1)S2(=O)=O	REAL300020024649	0	40	-1.0	-52.35	330.59	-0.72	-53.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300020024650	0	40	-1.0	-52.13	351.75	2.85	-49.28
CC1=CC=CC(C2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2(F)F)=C1	REAL300020024651	0	41	-1.0	-48.26	357.45	5.83	-42.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2CC2)ON=C1Br	REAL300020024652	0	34	-1.0	-41.29	327.77	3.35	-37.94
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2C=CC1C2	REAL300020024653	0	37	-1.0	-42.07	313.50	3.46	-38.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(N1)C(Br)=CO2	REAL300020024654	0	32	-1.0	-43.46	308.58	1.70	-41.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C([N-]1)C(Br)=CO2	REAL300020024654	1	31	-2.0	-79.97	306.31	1.23	-78.74
CC1=CC2=C(C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N2)O1	REAL300020024655	0	35	-1.0	-45.31	308.78	1.90	-43.41
CC(C)C1=CNC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=NC2=C1	REAL300020024656	0	43	-1.0	-55.45	362.58	3.10	-52.35
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CC2=CC=CC=C21	REAL300020024658	0	40	-1.0	-43.94	331.09	5.89	-38.05
COC1=CC=CC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020024659	0	40	-1.0	-44.84	345.39	1.28	-43.56
CN1N=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=C1CCOC2	REAL300020024660	0	39	-1.0	-46.81	330.15	0.82	-45.99
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024661	0	40	-1.0	-44.60	334.86	4.94	-39.66
COC1=CC(C)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020024662	0	37	-1.0	-45.73	315.93	0.49	-45.24
CC1=CC=C(C2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CCC(=O)CC2)C=C1	REAL300020024663	0	49	-1.0	-49.46	385.57	6.39	-43.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCOCC2)CC1(F)F	REAL300020024664	0	42	-1.0	-47.03	342.89	3.21	-43.82
CN1C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC2=C1C=CS2	REAL300020024665	0	35	-1.0	-46.43	314.83	3.69	-42.74
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1CC(F)F	REAL300020024666	0	37	-1.0	-49.11	328.51	2.42	-46.69
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1C1CCC1	REAL300020024667	0	41	-1.0	-44.47	341.33	3.52	-40.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2CCCCC2=CN1	REAL300020024668	0	39	-1.0	-45.27	320.54	3.34	-41.93
CC[C@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL300020024669	0	42	-1.0	-46.71	320.55	3.67	-43.04
CC1=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC=C1	REAL300020024670	0	34	-1.0	-44.59	306.69	3.43	-41.16
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=NC=N1	REAL300020024671	0	36	-1.0	-49.47	308.30	3.56	-45.91
CC1=NN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=C1C	REAL300020024672	0	40	-1.0	-49.84	338.85	2.77	-47.07
C#CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOC1	REAL300020024673	0	37	-1.0	-42.44	309.30	1.98	-40.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300020024674	0	34	-1.0	-54.86	314.84	4.48	-50.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020024675	0	38	-1.0	-49.43	347.57	5.50	-43.93
CC(=O)C1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020024676	0	32	-1.0	-48.01	304.77	0.64	-47.37
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024677	0	35	-1.0	-44.98	332.77	-0.85	-45.83
CC(=O)NC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300020024678	0	38	-1.0	-61.55	333.21	2.04	-59.51
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024679	0	34	-1.0	-51.72	319.22	2.94	-48.78
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020024680	0	44	-1.0	-62.86	373.81	2.32	-60.54
CC1=C2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)SC2=C(C)S1	REAL300020024681	0	37	-1.0	-45.90	346.82	5.01	-40.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2N=CC=C2C=C1	REAL300020024682	0	34	-1.0	-47.22	300.08	2.82	-44.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2=NN=CN21	REAL300020024683	0	37	-1.0	-48.20	306.78	3.84	-44.36
CC1(C)CCCC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020024684	0	44	-1.0	-46.20	346.16	3.74	-42.46
COC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN=C1	REAL300020024685	0	37	-1.0	-53.92	324.84	1.99	-51.93
CCN1C(=O)CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024686	0	38	-1.0	-56.21	316.06	2.10	-54.11
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020024687	0	43	-1.0	-47.01	346.84	-0.23	-47.24
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024688	0	38	-1.0	-50.18	336.98	5.29	-44.89
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)=C2	REAL300020024689	0	45	-1.0	-49.09	375.58	4.91	-44.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300020024690	0	39	-1.0	-50.75	338.68	3.89	-46.86
COC1=CC2=NC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2C=C1	REAL300020024691	0	40	-1.0	-46.03	338.60	2.74	-43.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC2=C1CCC2	REAL300020024692	0	37	-1.0	-47.53	310.84	3.12	-44.41
CCSC1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024693	0	44	-1.0	-50.99	354.98	5.07	-45.92
CC1=CC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C)=N1	REAL300020024694	0	42	-1.0	-45.24	356.83	4.00	-41.24
CC1=CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300020024695	0	40	-1.0	-44.37	340.10	5.98	-38.39
O=C(CCC1=CC=CC(=O)N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024696	0	37	-1.0	-51.01	323.35	1.33	-49.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(Cl)=C1Cl	REAL300020024697	0	28	-1.0	-50.01	294.32	3.09	-46.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300020024698	0	43	-1.0	-52.26	364.81	2.49	-49.77
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024699	0	41	-1.0	-50.43	341.14	3.40	-47.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300020024700	0	38	-1.0	-45.70	340.07	4.29	-41.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC=C1Br	REAL300020024701	0	29	-1.0	-50.25	279.42	1.56	-48.69
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024702	0	41	-1.0	-60.13	370.80	2.68	-57.45
CCC1=C(C)SC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024703	0	37	-1.0	-43.22	321.35	4.10	-39.12
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(OC(F)(F)F)C1	REAL300020024704	0	35	-1.0	-45.35	316.28	1.59	-43.76
CS(=O)(=O)C1=COC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024705	0	34	-1.0	-54.29	319.97	-1.48	-55.77
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024706	0	42	-1.0	-47.29	351.03	3.82	-43.47
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024707	0	42	-1.0	-47.25	351.03	3.82	-43.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300020024708	0	40	-1.0	-46.75	348.75	4.73	-42.02
CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Br	REAL300020024709	0	33	-1.0	-40.41	309.62	2.45	-37.96
COC1=CC(Br)=CN=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024710	0	34	-1.0	-43.38	318.72	2.39	-40.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300020024711	0	40	-1.0	-54.00	355.89	0.71	-53.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC(=O)CC1	REAL300020024712	0	37	-1.0	-51.18	306.20	2.48	-48.70
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2SCCC(=O)C2=C1	REAL300020024713	0	38	-1.0	-49.63	337.11	4.35	-45.28
CCN1N=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300020024714	0	36	-1.0	-45.54	312.16	0.77	-44.77
CCC1=CC=C(N2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=N2)C=C1	REAL300020024715	0	43	-1.0	-42.98	372.86	4.20	-38.78
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CN(C)C1=O	REAL300020024716	0	37	-1.0	-46.53	318.47	2.52	-44.01
O=C(CC1CCCC(F)(F)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024717	0	40	-1.0	-53.43	328.54	4.12	-49.31
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024718	0	52	-1.0	-48.14	407.81	7.65	-40.49
CC1=NN=NN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024719	0	32	-1.0	-61.06	288.44	0.15	-60.91
O=C(CC1CC(C(F)F)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024720	0	37	-1.0	-47.10	317.19	3.65	-43.45
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024721	0	42	-1.0	-45.54	355.50	4.86	-40.68
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024722	0	39	-1.0	-50.82	348.11	3.17	-47.65
C=CCN(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)OC(C)(C)C	REAL300020024723	0	51	-1.0	-50.07	415.22	4.56	-45.51
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020024724	0	46	-1.0	-51.05	371.17	5.49	-45.56
CC1=CC(Cl)=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300020024725	0	31	-1.0	-43.59	300.36	3.36	-40.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(=O)N(C2CC2)C1	REAL300020024726	0	42	-1.0	-50.50	343.01	2.72	-47.78
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024727	0	47	-1.0	-46.83	381.59	2.56	-44.27
CN1N=NC=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024728	0	33	-1.0	-57.59	291.97	0.05	-57.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300020024729	0	44	-1.0	-47.71	369.73	4.24	-43.47
N#CC1=CN=C(Cl)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024730	0	31	-1.0	-46.99	302.29	1.97	-45.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1C(=O)NC2	REAL300020024731	0	36	-1.0	-64.76	309.56	1.92	-62.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300020024732	0	41	-1.0	-47.38	351.45	2.59	-44.79
CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300020024733	0	37	-1.0	-41.71	329.26	4.90	-36.81
CC1=CN=C(N2CCOCC2)N=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024734	0	45	-1.0	-44.08	369.49	2.19	-41.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(CC2CC2)C=C1	REAL300020024735	0	41	-1.0	-43.09	347.18	6.06	-37.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(Cl)C2=NC=CC=C2S1	REAL300020024736	0	33	-1.0	-47.40	319.93	3.11	-44.29
N#CC1=CC=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300020024737	0	38	-1.0	-46.70	345.00	4.95	-41.75
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=C(F)C=N1	REAL300020024738	0	29	-1.0	-43.47	272.21	0.60	-42.87
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300020024739	0	37	-1.0	-48.40	327.93	0.37	-48.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2CCCCC2=C1	REAL300020024740	0	40	-1.0	-42.97	330.67	3.74	-39.23
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024741	0	39	-1.0	-43.51	335.15	5.08	-38.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1C1=CC=CC=C1Cl	REAL300020024742	0	41	-1.0	-46.14	348.47	5.75	-40.39
COCCN1C=CC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020024743	0	45	-1.0	-46.50	381.93	4.77	-41.73
CC(C)N1C=CC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020024744	0	44	-1.0	-46.46	366.29	6.18	-40.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NN1CC1CC1	REAL300020024745	0	38	-1.0	-41.90	317.03	3.61	-38.29
CC1(C)COCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024746	0	41	-1.0	-48.14	321.57	1.96	-46.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=NN=CN21	REAL300020024747	0	33	-1.0	-57.49	291.14	4.02	-53.47
C=CCOCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)(C)C	REAL300020024748	0	47	-1.0	-44.68	373.13	4.22	-40.46
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020024749	0	43	-1.0	-55.14	357.77	-0.70	-55.84
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024750	0	34	-1.0	-49.11	313.26	1.65	-47.46
CC1=NN(C2CCC2)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024751	0	41	-1.0	-46.03	342.44	3.59	-42.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NN1CCC(F)(F)F	REAL300020024752	0	37	-1.0	-47.17	334.29	2.80	-44.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(F)(F)CO1	REAL300020024753	0	35	-1.0	-49.06	303.95	2.20	-46.86
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024754	0	42	-1.0	-45.31	369.73	4.97	-40.34
CC1(C)CCCOC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024755	0	44	-1.0	-45.08	341.02	3.39	-41.69
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024756	0	37	-1.0	-42.87	347.14	2.07	-40.80
CC(=O)NC(COC(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024757	0	44	-1.0	-54.28	364.84	0.98	-53.30
CC1(C)OCC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020024758	0	42	-1.0	-44.49	348.61	1.94	-42.55
CC1=NN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020024759	0	32	-1.0	-55.98	289.89	-0.23	-56.21
COC1=CC2=CC=C(CC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300020024760	0	44	-1.0	-48.36	372.78	5.29	-43.07
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024761	0	49	-1.0	-45.61	391.03	7.35	-38.26
CC12CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(CC1)OC2	REAL300020024762	0	42	-1.0	-41.37	331.49	2.56	-38.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C=COC2=C1	REAL300020024763	0	34	-1.0	-46.54	299.85	3.40	-43.14
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=C(Br)C(F)=C1	REAL300020024764	0	31	-1.0	-44.73	305.38	3.77	-40.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300020024765	0	37	-1.0	-47.13	335.07	3.72	-43.41
C#CC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024766	0	33	-1.0	-46.21	299.94	4.25	-41.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=C(F)C2=CC=CC=C21	REAL300020024767	0	36	-1.0	-41.15	316.96	3.64	-37.51
CC1=C(C)NC(=O)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024768	0	37	-1.0	-52.15	314.26	1.41	-50.74
CCN1N=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C	REAL300020024769	0	37	-1.0	-45.23	319.45	2.21	-43.02
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C(F)=C1	REAL300020024770	0	40	-1.0	-47.64	345.13	5.08	-42.56
CCCN1C=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024771	0	38	-1.0	-46.69	320.24	4.13	-42.56
CC(C)(C)N1C=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020024772	0	43	-1.0	-49.20	360.07	3.55	-45.65
CC1=CC=C(C2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)C(F)=C1	REAL300020024773	0	41	-1.0	-49.96	352.25	5.66	-44.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020024774	0	31	-2.0	-87.32	300.51	3.06	-84.26
CCCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=NN1CC	REAL300020024775	0	42	-1.0	-45.59	355.41	2.24	-43.35
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024776	0	40	-1.0	-46.08	353.14	5.24	-40.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300020024777	0	41	-1.0	-50.62	350.31	4.10	-46.52
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024778	0	43	-1.0	-48.19	370.60	1.47	-46.72
CC1=NNC2=C1CC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)CC2	REAL300020024779	0	41	-1.0	-49.37	336.76	2.37	-47.00
CC1=C2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CCC2=NN1	REAL300020024779	1	41	-1.0	-49.37	336.76	2.37	-47.00
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024780	0	42	-1.0	-49.78	357.15	2.92	-46.86
CSC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1[N+](=O)[O-]	REAL300020024781	0	37	-1.0	-45.22	336.42	4.60	-40.62
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024782	0	41	-1.0	-54.65	348.76	4.74	-49.91
N#CC1=CC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=NN2C=C1	REAL300020024783	0	35	-1.0	-50.03	321.42	3.20	-46.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300020024784	0	41	-1.0	-51.23	358.33	4.14	-47.09
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024785	0	45	-1.0	-53.38	377.03	1.85	-51.53
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2N=NC=C2C=C1	REAL300020024786	0	33	-1.0	-50.31	294.78	1.53	-48.78
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@H](C)O1	REAL300020024787	0	42	-1.0	-47.28	350.75	1.01	-46.27
O=C(CCC1=C(Br)C=CS1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024788	0	34	-1.0	-46.71	328.67	4.17	-42.54
O=C(CCNC1=CN=CN=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024789	0	37	-1.0	-52.12	322.50	0.70	-51.42
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024790	0	52	-1.0	-49.02	407.85	5.96	-43.06
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024791	0	40	-1.0	-45.58	354.38	3.75	-41.83
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024792	0	38	-1.0	-45.98	349.30	3.72	-42.26
O=C(CC1CC2(CCC2)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024793	0	41	-1.0	-48.06	334.12	4.66	-43.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC(F)(F)CC1	REAL300020024794	0	40	-1.0	-51.06	318.57	3.86	-47.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC(CF)=C1	REAL300020024795	0	30	-1.0	-42.78	280.18	1.28	-41.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020024796	0	38	-1.0	-45.72	334.13	5.29	-40.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2=CC=NN2C1	REAL300020024797	0	38	-1.0	-48.09	318.44	2.32	-45.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C=NSC2=CC=C1	REAL300020024798	0	33	-1.0	-47.75	300.32	3.11	-44.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=NON=C21	REAL300020024799	0	32	-1.0	-53.77	288.95	1.92	-51.85
CN1C=C(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020024800	0	35	-1.0	-49.50	311.03	1.32	-48.18
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300020024801	0	37	-1.0	-56.24	345.88	1.10	-55.14
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(C2CC2)=NO1	REAL300020024802	0	39	-1.0	-42.58	333.60	2.61	-39.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300020024803	0	36	-1.0	-43.54	330.04	3.31	-40.23
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024804	0	52	-1.0	-48.72	406.94	5.20	-43.52
C#CC1=CC=C(C2CC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024805	0	40	-1.0	-52.17	344.74	6.19	-45.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(C1)OC2	REAL300020024806	0	36	-1.0	-43.71	297.20	1.16	-42.55
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC=C2C=N1	REAL300020024807	0	39	-1.0	-45.77	336.48	3.86	-41.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCC2)CC1(F)F	REAL300020024808	0	38	-1.0	-44.11	316.53	4.31	-39.80
CN1N=CC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C(C3CC3)N=C21	REAL300020024809	0	43	-1.0	-45.52	364.36	4.16	-41.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300020024810	0	41	-1.0	-48.32	345.93	4.43	-43.89
CCC1=NOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024811	0	33	-1.0	-40.58	295.08	1.82	-38.76
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024812	0	51	-1.0	-51.99	407.03	2.27	-49.72
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024813	0	43	-1.0	-46.81	334.86	4.29	-42.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C(=O)NCCN2N=C1	REAL300020024814	0	36	-1.0	-55.40	311.70	-0.30	-55.70
CC=CC1=CC=C(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(OC)=C1	REAL300020024815	0	46	-1.0	-51.17	388.52	5.27	-45.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(=O)CC12CCC2	REAL300020024816	0	40	-1.0	-51.56	327.99	3.43	-48.13
CC1=CNC2=NC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300020024817	0	37	-1.0	-46.43	320.96	3.01	-43.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300020024818	0	38	-1.0	-47.12	334.33	1.76	-45.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300020024819	0	48	-1.0	-49.54	378.61	5.55	-43.99
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)O1	REAL300020024820	0	42	-1.0	-49.48	367.59	0.44	-49.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2=CC=CN=C2C1	REAL300020024821	0	37	-1.0	-48.27	314.68	3.02	-45.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300020024822	0	43	-1.0	-48.74	368.97	6.83	-41.91
CC1=CC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN=C2C(F)=C1	REAL300020024823	0	39	-1.0	-45.31	341.58	4.17	-41.14
CN1C=C(C2=NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CO2)C=N1	REAL300020024824	0	37	-1.0	-46.18	336.92	-0.79	-46.97
COC1=C2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)NC2=C(C)C=C1	REAL300020024825	0	42	-1.0	-45.77	357.15	2.94	-42.83
CCCCOC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024826	0	47	-1.0	-46.44	391.67	5.55	-40.89
COC1=NC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300020024827	0	40	-1.0	-48.18	346.19	1.93	-46.25
CC1=CN2C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN=C2S1	REAL300020024828	0	34	-1.0	-48.89	309.62	3.48	-45.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300020024829	0	28	-1.0	-43.69	298.15	3.15	-40.54
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024830	0	42	-1.0	-45.93	346.71	3.68	-42.25
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC1	REAL300020024831	0	38	-1.0	-48.03	309.20	1.32	-46.71
COC1CC2(C1)CCC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)CC2	REAL300020024832	0	48	-1.0	-47.42	375.81	3.89	-43.53
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024833	0	49	-1.0	-49.21	394.60	7.06	-42.15
CCC(C)(C)C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024834	0	52	-1.0	-43.42	375.20	5.65	-37.77
CC1=CC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN=C2C=C1	REAL300020024835	0	39	-1.0	-44.26	335.36	4.09	-40.17
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1COC2COCC21	REAL300020024836	0	37	-1.0	-53.61	302.33	-0.44	-54.05
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CC(=O)C2)CC1	REAL300020024837	0	43	-1.0	-47.41	346.00	4.08	-43.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300020024838	0	38	-1.0	-55.61	328.92	2.80	-52.81
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024839	0	46	-1.0	-49.39	372.90	6.35	-43.04
COC1(C(F)(F)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300020024840	0	41	-1.0	-39.81	332.31	2.85	-36.96
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024841	0	45	-1.0	-44.62	372.42	4.63	-39.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CCC(F)(F)CC2	REAL300020024842	0	41	-1.0	-48.87	339.12	4.68	-44.19
CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1Br	REAL300020024843	0	33	-1.0	-42.16	309.59	2.40	-39.76
CN(C)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1[N+](=O)[O-]	REAL300020024844	0	41	-1.0	-45.23	353.09	4.32	-40.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300020024845	0	35	-1.0	-45.40	321.11	2.91	-42.49
CC1CCOC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024846	0	38	-1.0	-46.86	308.03	2.08	-44.78
COC(=O)C1=CSC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024847	0	34	-1.0	-48.06	321.02	2.71	-45.35
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024848	0	42	-1.0	-42.70	344.18	3.57	-39.13
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300020024849	0	39	-1.0	-42.65	360.75	5.16	-37.49
N#CC1=CC=C(C2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=CO2)C=C1	REAL300020024850	0	38	-1.0	-48.60	348.71	1.87	-46.73
COC1CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1(C)C	REAL300020024851	0	44	-1.0	-50.79	353.90	2.93	-47.86
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020024852	0	41	-1.0	-46.90	365.13	5.11	-41.79
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=NN21	REAL300020024853	0	45	-1.0	-52.66	371.14	4.46	-48.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCCN1C(=O)CCCC2	REAL300020024854	0	45	-1.0	-44.17	344.79	3.44	-40.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020024855	0	41	-1.0	-45.64	357.61	5.69	-39.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CC2(F)F)C1	REAL300020024856	0	38	-1.0	-51.22	326.03	4.13	-47.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2C1C2(F)F	REAL300020024857	0	38	-1.0	-53.18	315.62	3.94	-49.24
C=C1CC2(C1)CC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020024858	0	39	-1.0	-42.90	326.72	4.41	-38.49
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024859	0	42	-1.0	-47.63	348.01	4.32	-43.31
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300020024860	0	45	-1.0	-45.14	371.05	5.73	-39.41
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024861	0	49	-1.0	-42.26	352.46	5.06	-37.20
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@@H]12	REAL300020024862	0	49	-1.0	-45.24	402.52	2.51	-42.73
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)F)=NN1C	REAL300020024863	0	37	-1.0	-50.90	333.48	2.06	-48.84
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024864	0	42	-1.0	-60.63	346.98	2.36	-58.27
CCC1=CC=C(C(=O)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300020024865	0	36	-1.0	-39.77	328.44	3.54	-36.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC(C2CCCC2)=C1	REAL300020024866	0	41	-1.0	-45.50	341.09	2.72	-42.78
CC1(C)OC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C2NC1=O	REAL300020024867	0	43	-1.0	-47.25	363.01	1.62	-45.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300020024868	0	39	-1.0	-46.74	326.92	2.15	-44.59
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300020024869	0	39	-1.0	-48.48	342.83	1.98	-46.50
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C12	REAL300020024870	0	43	-1.0	-45.18	363.79	5.78	-39.40
CN1N=CC(C#N)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024871	0	32	-1.0	-52.43	291.59	1.22	-51.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC2=C1CCNC2=O	REAL300020024872	0	38	-1.0	-47.10	322.05	-0.28	-47.38
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NC=C1C(F)F	REAL300020024873	0	36	-1.0	-46.84	319.91	2.73	-44.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCCNC2=O)S1	REAL300020024874	0	39	-1.0	-50.38	342.22	1.34	-49.04
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024875	0	40	-1.0	-55.63	338.00	1.01	-54.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2C1C2(F)F	REAL300020024876	0	35	-1.0	-44.06	302.57	3.46	-40.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300020024877	0	35	-1.0	-47.42	327.31	2.25	-45.17
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024878	0	51	-1.0	-48.40	416.83	0.83	-47.57
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024879	0	51	-1.0	-48.42	403.05	2.90	-45.52
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024880	0	42	-1.0	-51.06	352.17	3.89	-47.17
CC1=C(Cl)C=NN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024881	0	34	-1.0	-53.80	315.91	2.12	-51.68
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024882	0	45	-1.0	-53.22	377.33	1.85	-51.37
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N2C=C(C)SC2=N1	REAL300020024883	0	40	-1.0	-48.20	349.09	4.81	-43.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(C2CCCO2)O1	REAL300020024884	0	43	-1.0	-46.55	351.27	2.30	-44.25
CN1N=NC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C21	REAL300020024885	0	36	-1.0	-59.10	315.47	1.69	-57.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2OCCCC2=C1	REAL300020024886	0	38	-1.0	-45.34	321.73	0.56	-44.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300020024887	0	36	-1.0	-42.10	326.57	2.31	-39.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)CCC1=CC=CC=C1	REAL300020024888	0	40	-1.0	-42.57	350.64	5.44	-37.13
CC1=CC2=C(C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)S2)S1	REAL300020024889	0	34	-1.0	-42.17	324.09	4.35	-37.82
O=C(CC12CCC(CC1)C2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024890	0	41	-1.0	-43.98	320.85	4.32	-39.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC=CC2=CC=CC=C21	REAL300020024891	0	39	-1.0	-45.74	328.12	5.26	-40.48
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CCCOCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024893	0	40	-1.0	-49.92	336.10	2.35	-47.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2C=NN=C2C=N1	REAL300020024894	0	32	-1.0	-44.82	290.80	2.62	-42.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=NC=CC=C12	REAL300020024895	0	36	-1.0	-46.00	308.88	3.39	-42.61
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024896	0	39	-1.0	-48.45	329.03	4.42	-44.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2SC=CC2=CN=C1	REAL300020024897	0	33	-1.0	-45.74	302.67	2.65	-43.09
CC(C)C(C)C(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024898	0	45	-1.0	-46.86	342.72	4.24	-42.62
COC1CC2(C1)CC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020024899	0	42	-1.0	-43.78	346.36	2.87	-40.91
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024900	0	47	-1.0	-46.46	388.70	5.23	-41.23
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@@H]12	REAL300020024901	0	36	-1.0	-50.51	309.93	1.69	-48.82
CC1(C)CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CO1	REAL300020024902	0	41	-1.0	-45.61	324.11	2.07	-43.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020024903	0	38	-1.0	-43.71	353.92	5.88	-37.83
O=C(CC1CCCNC(=O)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024904	0	41	-1.0	-62.33	329.84	0.57	-61.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300020024905	0	47	-1.0	-48.21	371.50	6.63	-41.58
CN1C=NC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C21	REAL300020024906	0	37	-1.0	-55.15	320.85	4.53	-50.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300020024907	0	41	-1.0	-56.66	360.64	-0.58	-57.24
CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCO1	REAL300020024908	0	38	-1.0	-50.94	308.73	2.42	-48.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC2=CC=CNC2=C1	REAL300020024909	0	34	-1.0	-58.23	302.64	1.22	-57.01
COC1=C(Cl)C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=NC=CC=C21	REAL300020024910	0	40	-1.0	-51.86	360.96	3.91	-47.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2C3CC1C(=O)C32	REAL300020024911	0	35	-1.0	-55.43	299.13	2.81	-52.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN2N=NC=C12	REAL300020024912	0	33	-1.0	-49.33	291.16	1.64	-47.69
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024913	0	47	0.0	-73.85	381.04	4.74	-69.11
CP(C)(=O)C1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024914	0	40	-1.0	-51.99	352.73	2.62	-49.37
COCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL300020024915	0	36	-1.0	-44.92	314.25	0.55	-44.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300020024916	0	45	-1.0	-57.18	378.70	2.94	-54.24
CN1C=NC2=C1CCCC2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024917	0	41	-1.0	-46.69	336.98	4.83	-41.86
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024918	0	41	-1.0	-53.80	360.83	0.48	-53.32
CC(C)(C)OC(=O)NOCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024919	0	48	-1.0	-57.63	398.96	1.92	-55.71
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300020024920	0	41	-1.0	-43.28	363.47	3.74	-39.54
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1C(C)C(C)C	REAL300020024921	0	46	-1.0	-44.27	373.18	4.28	-39.99
CCCSC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024922	0	41	-1.0	-45.62	355.83	5.72	-39.90
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024923	0	45	-1.0	-48.44	361.90	4.95	-43.49
COC1=CC=C(Cl)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020024924	0	34	-1.0	-42.48	314.61	0.43	-42.05
CC1=NN(C)C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024925	0	37	-1.0	-54.49	319.79	1.82	-52.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300020024926	0	40	-1.0	-43.22	360.96	5.26	-37.96
CCCCSC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024927	0	44	-1.0	-45.60	377.33	6.50	-39.10
CC1=NC=NC2=C1CC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)CC2	REAL300020024928	0	42	-1.0	-49.04	343.75	3.93	-45.11
CCC(C)CC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024929	0	42	-1.0	-46.67	332.38	3.97	-42.70
CC(C)N(C)C(=O)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024930	0	43	-1.0	-47.06	352.96	2.53	-44.53
CC1C(=O)N(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)C1C	REAL300020024931	0	40	-1.0	-54.27	338.87	1.81	-52.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(OC(F)(F)F)CC1	REAL300020024932	0	41	-1.0	-46.39	340.59	2.65	-43.74
O=C(CC1=CSC(Cl)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024933	0	31	-1.0	-48.76	304.61	3.28	-45.48
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024934	0	40	-1.0	-46.31	366.52	5.97	-40.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(F)(CC1)C2	REAL300020024935	0	38	-1.0	-48.42	312.78	3.59	-44.83
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024936	0	41	-1.0	-45.66	346.39	5.10	-40.56
COC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)F)=N1	REAL300020024937	0	36	-1.0	-48.75	324.57	-1.38	-50.13
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC(F)(F)F	REAL300020024938	0	36	-1.0	-50.91	310.39	3.08	-47.83
CC1(C)CC2(CC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020024939	0	41	-1.0	-42.97	335.72	4.56	-38.41
O=C(CC1CCC2(CCCC2)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024940	0	50	-1.0	-43.62	375.36	6.13	-37.49
COC1=CC=C(N2CCCCC2)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024941	0	50	-1.0	-45.00	397.13	4.97	-40.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC12CCC2	REAL300020024942	0	41	-1.0	-47.26	324.62	4.30	-42.96
CC1COC2=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C21	REAL300020024943	0	39	-1.0	-48.89	328.48	4.37	-44.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=CC=CC=N2)S1	REAL300020024944	0	37	-1.0	-44.35	339.95	4.09	-40.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2CCOCC2=C1	REAL300020024945	0	38	-1.0	-47.12	321.93	1.30	-45.82
O=C(CC1COCC2=CC=CC=C21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024946	0	42	-1.0	-45.95	342.93	3.58	-42.37
CC1=NN=C2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CN12	REAL300020024947	0	37	-1.0	-51.04	316.20	3.17	-47.87
O=C(CC1CCCCCC1(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024948	0	43	-1.0	-47.66	334.82	4.39	-43.27
CC12CC(CC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)CO2	REAL300020024949	0	39	-1.0	-52.17	320.01	1.95	-50.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020024950	0	43	-1.0	-46.55	369.91	6.27	-40.28
CC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCS1(=O)=O	REAL300020024951	0	40	-1.0	-57.06	337.19	0.04	-57.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL300020024952	0	44	-1.0	-47.47	335.26	4.66	-42.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300020024953	0	45	-1.0	-47.02	360.95	6.61	-40.41
CC(C1CC1)N1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1=O	REAL300020024954	0	45	-1.0	-47.66	367.26	3.63	-44.03
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024955	0	48	-1.0	-58.05	390.56	2.84	-55.21
CCC1=CN2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CCC2=N1	REAL300020024956	0	44	-1.0	-46.29	360.51	4.52	-41.77
O=C(CCC12CCC(CC1)C2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024957	0	44	-1.0	-42.99	342.88	4.96	-38.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020024958	0	44	-1.0	-44.83	375.76	7.50	-37.33
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024959	0	39	-1.0	-51.54	320.88	0.24	-51.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC(N2C=CN=C2)=N1	REAL300020024960	0	36	-1.0	-44.78	323.25	2.97	-41.81
CC1(C)CC2=CC=CC(CC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2O1	REAL300020024961	0	45	-1.0	-50.25	374.96	4.95	-45.30
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024962	0	43	-1.0	-54.01	376.89	4.80	-49.21
CC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C#N	REAL300020024963	0	34	-1.0	-44.60	307.87	2.15	-42.45
CN1C=NC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C1=O	REAL300020024964	0	39	-1.0	-59.64	339.43	3.72	-55.92
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024965	0	51	-1.0	-50.86	406.12	2.54	-48.32
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024966	0	50	-1.0	-49.59	408.16	1.95	-47.64
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024967	0	44	-1.0	-45.05	365.05	0.82	-44.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300020024968	0	31	-1.0	-44.56	311.43	4.12	-40.44
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020024969	0	45	-1.0	-55.00	381.47	4.19	-50.81
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024970	0	50	-1.0	-46.42	396.48	2.04	-44.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300020024971	0	38	-1.0	-44.79	332.65	-0.32	-45.11
CC1CCC(OCCCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024972	0	50	-1.0	-50.10	395.26	4.96	-45.14
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)C1CCOC1	REAL300020024973	0	35	-1.0	-49.60	295.74	0.84	-48.76
CCC1(C)CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020024974	0	41	-1.0	-46.87	331.93	3.30	-43.57
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024975	0	45	-1.0	-47.28	381.37	4.20	-43.08
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024976	0	42	-1.0	-57.18	351.06	3.94	-53.24
CC1(C)C(=O)NC2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC21	REAL300020024977	0	48	-1.0	-47.90	374.52	1.51	-46.39
COC1(C2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=N2)CCOCC1	REAL300020024978	0	48	-1.0	-43.21	386.83	1.73	-41.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2SN=CC2=C1	REAL300020024979	0	33	-1.0	-44.61	304.27	3.24	-41.37
CN1C=NC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C2C1=O	REAL300020024980	0	39	-1.0	-50.33	339.16	3.75	-46.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CCC2)CO1	REAL300020024981	0	39	-1.0	-46.38	320.06	2.98	-43.40
COC1=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(OC)C=C1C	REAL300020024982	0	49	-1.0	-47.03	403.17	4.47	-42.56
O=C(CC1CCCCC1(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024983	0	40	-1.0	-44.56	327.39	4.06	-40.50
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1(C)C	REAL300020024984	0	51	-1.0	-46.20	404.91	2.99	-43.21
CN1N=CC=C1C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024985	0	41	-1.0	-46.78	348.10	4.02	-42.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CC(F)C2)C1	REAL300020024986	0	38	-1.0	-48.29	319.50	3.99	-44.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=CN=NN2C=C1	REAL300020024987	0	33	-1.0	-47.98	294.09	1.64	-46.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(C1)S(=O)(=O)CC2	REAL300020024988	0	41	-1.0	-55.87	333.23	0.13	-55.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2=NC=CC=C21	REAL300020024989	0	40	-1.0	-49.16	331.53	3.40	-45.76
CN1C=C(SCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020024990	0	35	-1.0	-47.96	321.02	2.03	-45.93
O=C(CCC1=C(F)C=CC=C1Cl)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024991	0	37	-1.0	-48.38	338.35	4.98	-43.40
CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC(Cl)=CC=C21	REAL300020024992	0	38	-1.0	-52.04	344.06	5.26	-46.78
O=C(CC1CC2(CCC2)CO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024993	0	42	-1.0	-46.55	340.77	3.49	-43.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(CCF)C=C1	REAL300020024994	0	37	-1.0	-44.30	322.44	4.62	-39.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2=CSC=C2C1	REAL300020024995	0	35	-1.0	-43.52	309.78	3.74	-39.78
CC1=CN2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC2=N1	REAL300020024996	0	37	-1.0	-45.74	320.92	4.22	-41.52
CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C2C=CNC2=N1	REAL300020024997	0	36	-1.0	-47.73	316.11	2.16	-45.57
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020024998	0	46	-1.0	-48.28	365.75	6.01	-42.27
CC1(C)CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020024999	0	46	-1.0	-42.30	337.03	4.54	-37.76
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025000	0	45	-1.0	-46.75	380.34	5.55	-41.20
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020025001	0	46	-1.0	-47.35	347.91	4.87	-42.48
CC(C)N1C=C(C2CC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020025002	0	44	-1.0	-54.04	362.51	4.09	-49.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300020025003	0	38	-1.0	-49.01	337.24	3.61	-45.40
COC1=CN=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025004	0	33	-1.0	-43.02	294.73	-0.51	-43.53
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025005	0	34	-1.0	-42.24	301.30	3.07	-39.17
CC1CC(=O)NCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025006	0	38	-1.0	-46.88	314.98	-0.21	-47.09
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025007	0	35	-1.0	-49.76	313.59	-0.08	-49.84
CN1N=C(Br)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020025008	0	30	-1.0	-42.82	292.58	-0.32	-43.14
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025009	0	40	-1.0	-41.56	323.66	3.91	-37.65
COC1(C#N)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020025010	0	36	-1.0	-50.50	315.22	1.10	-49.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300020025011	0	39	-1.0	-44.66	343.79	5.89	-38.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC2(CCCCC2)C1	REAL300020025012	0	48	-1.0	-43.45	363.75	4.05	-39.40
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025013	0	44	-1.0	-54.77	376.16	6.51	-48.26
CC1(C)CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CO1	REAL300020025014	0	41	-1.0	-50.40	333.35	2.30	-48.10
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=CC=CC=C21	REAL300020025015	0	43	-1.0	-49.71	355.16	6.37	-43.34
COC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(F)=C1F	REAL300020025016	0	35	-1.0	-42.59	314.65	2.50	-40.09
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025017	0	40	-1.0	-50.59	341.46	3.17	-47.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300020025018	0	33	-1.0	-41.98	321.07	2.90	-39.08
O=C(CC1CCC(=O)NC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025019	0	37	-1.0	-59.45	314.09	0.58	-58.87
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC(=O)C1	REAL300020025020	0	39	-1.0	-43.93	312.53	2.85	-41.08
CCN1N=C(Br)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020025021	0	33	-1.0	-42.31	314.39	0.52	-41.79
CC(C)(C)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=N1	REAL300020025022	0	42	-1.0	-46.96	359.56	4.32	-42.64
CC(=O)NC1=C2C=CN(CC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2=CC=C1	REAL300020025023	0	45	-1.0	-58.97	386.16	4.09	-54.88
CN1C(=O)NC2(CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)C1=O	REAL300020025024	0	46	-1.0	-52.97	370.07	0.73	-52.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020025025	0	38	-1.0	-52.41	331.58	3.10	-49.31
CC1=C2NN=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2=CC=C1	REAL300020025026	0	37	-1.0	-44.55	322.98	2.38	-42.17
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CCOCC2)O1	REAL300020025027	0	43	-1.0	-51.98	346.08	2.12	-49.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CCC2)O1	REAL300020025028	0	39	-1.0	-51.26	321.75	3.24	-48.02
CC1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020025029	0	43	-1.0	-45.82	329.06	4.34	-41.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2CCC2=C1	REAL300020025030	0	35	-1.0	-44.64	300.36	4.43	-40.21
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1Cl	REAL300020025031	0	37	-1.0	-46.57	326.99	4.68	-41.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020025032	0	43	-1.0	-45.66	369.85	5.72	-39.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020025033	0	34	-1.0	-50.52	324.54	3.98	-46.54
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CC(C2CC2)=N1	REAL300020025034	0	41	-1.0	-54.03	347.81	3.71	-50.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC2=NC=CN2C=C1	REAL300020025035	0	33	-1.0	-48.49	296.74	4.24	-44.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020025036	0	43	-1.0	-52.19	353.63	-1.32	-53.51
CCCN1C=C(Cl)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020025037	0	37	-1.0	-45.52	336.50	2.97	-42.55
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(Cl)N=C1C	REAL300020025038	0	36	-1.0	-47.04	318.97	2.88	-44.16
COC(=O)C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020025039	0	40	-1.0	-54.80	335.82	3.25	-51.55
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300020025040	0	40	-1.0	-53.06	354.38	2.41	-50.65
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020025041	0	43	-1.0	-46.81	374.15	5.61	-41.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=NC=CC=C2F)CC1	REAL300020025042	0	37	-1.0	-48.15	329.48	3.18	-44.97
CC1=C(Cl)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300020025043	0	31	-1.0	-43.09	291.33	0.63	-42.46
CC1=NNC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300020025043	1	31	-1.0	-43.09	291.33	0.63	-42.46
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025044	0	35	-1.0	-51.16	311.71	-0.06	-51.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C1=CC=C(F)C=C1)C1CC1	REAL300020025045	0	41	-1.0	-48.38	347.69	5.95	-42.43
CC12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)CCO2	REAL300020025046	0	39	-1.0	-46.52	314.64	1.84	-44.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2CCC2)=NO1	REAL300020025047	0	37	-1.0	-40.00	318.95	3.04	-36.96
CC1=CC(C(F)(F)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020025048	0	34	-1.0	-39.37	319.83	3.63	-35.74
CC(C)(C#N)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025049	0	37	-1.0	-54.91	313.59	2.81	-52.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(CC(F)F)N=C1	REAL300020025050	0	34	-1.0	-49.78	311.37	2.00	-47.78
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025051	0	37	-1.0	-46.75	328.80	3.19	-43.56
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(Cl)N=C1Cl	REAL300020025052	0	33	-1.0	-43.79	314.80	2.74	-41.05
CC1=C(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C(N2C=NN=N2)S1	REAL300020025053	0	39	-1.0	-56.08	354.45	3.50	-52.58
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=C(N4N=N[N-]C4=O)C=C1)(C2)C3	REAL300020025054	0	51	-1.0	-46.23	384.28	5.99	-40.24
CN1C=C(C(F)(F)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020025055	0	34	-1.0	-46.25	311.75	1.64	-44.61
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCNC1=O	REAL300020025056	0	41	-1.0	-40.01	317.75	0.59	-39.42
COC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)(F)F)=N1	REAL300020025057	0	36	-1.0	-47.24	327.15	-1.06	-48.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300020025058	0	36	-1.0	-53.18	341.33	2.47	-50.71
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(C2CCC2)C1	REAL300020025059	0	41	-1.0	-47.41	332.58	4.69	-42.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020025060	0	47	-1.0	-44.48	381.81	2.13	-42.35
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025061	0	53	0.0	-71.61	412.90	7.40	-64.21
CC1CN(CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CCO1	REAL300020025062	0	51	0.0	-76.81	398.67	5.12	-71.69
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CCO1	REAL300020025062	1	51	0.0	-76.86	398.41	5.13	-71.73
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CCO1	REAL300020025062	1	51	0.0	-76.86	398.41	5.13	-71.73
CCNC(=O)N1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020025063	0	46	-1.0	-56.50	369.49	1.85	-54.65
COC1=CC([C@@H](C)CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C	REAL300020025064	0	47	-1.0	-47.78	381.98	5.00	-42.78
C#CC1=CC=CC(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025065	0	37	-1.0	-55.05	333.76	4.73	-50.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2(CCC2)C1	REAL300020025066	0	44	-1.0	-42.47	342.13	4.93	-37.54
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025067	0	47	-1.0	-45.16	384.43	4.66	-40.50
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020025068	0	47	-1.0	-45.05	392.51	5.30	-39.75
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300020025069	0	45	-1.0	-50.26	385.70	6.31	-43.95
CC(C)[C@@H](NC(N)=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025070	0	39	-1.0	-43.63	322.95	-1.86	-45.49
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1C=CC(C2CC2)=N1	REAL300020025071	0	44	-1.0	-57.91	364.02	4.45	-53.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCCCCCC21	REAL300020025072	0	47	-1.0	-42.71	348.75	5.25	-37.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1COC2	REAL300020025073	0	36	-1.0	-49.89	306.47	2.35	-47.54
CC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCS1	REAL300020025074	0	38	-1.0	-47.11	319.00	3.73	-43.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN2CC3(CC3)CC2=C1	REAL300020025075	0	39	-1.0	-44.75	334.05	3.01	-41.74
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025076	0	40	-1.0	-55.63	336.09	0.01	-55.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=NC=C2)CC1	REAL300020025077	0	37	-1.0	-47.49	318.99	3.02	-44.47
COC12CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(CC1)C2	REAL300020025078	0	42	-1.0	-48.93	337.39	2.35	-46.58
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020025079	0	53	-1.0	-47.96	422.28	6.69	-41.27
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025080	0	36	-1.0	-56.02	319.32	0.63	-55.39
COC1CC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020025081	0	41	-1.0	-49.65	340.77	2.55	-47.10
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025082	0	37	-1.0	-51.01	331.80	3.11	-47.90
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N2C=CC=CC2=N1	REAL300020025083	0	37	-1.0	-46.17	324.94	3.89	-42.28
CC(C)CC1=NC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020025084	0	41	-1.0	-43.73	347.81	3.09	-40.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC3CC(CC(C3)O1)C2	REAL300020025085	0	43	-1.0	-44.62	331.23	3.02	-41.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CS2)CCOCC1	REAL300020025086	0	42	-1.0	-46.06	345.72	3.44	-42.62
CC1=CC=C(C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2CC2)C=C1	REAL300020025087	0	44	-1.0	-48.07	362.70	6.55	-41.52
CN1C=C(Br)C(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020025088	0	35	-1.0	-50.10	333.68	0.60	-49.50
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)CC2	REAL300020025089	0	53	0.0	-72.61	401.35	6.11	-66.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN2C=CC=NC2=C1Cl	REAL300020025090	0	33	-1.0	-50.83	313.43	2.37	-48.46
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N2C=CC=CC2=N1	REAL300020025091	0	40	-1.0	-51.48	335.35	4.83	-46.65
CC1=CC(F)=CC=C1C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020025092	0	41	-1.0	-46.24	349.55	5.46	-40.78
CC1=CC=C(F)C=C1C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020025093	0	41	-1.0	-44.78	349.71	5.43	-39.35
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020025094	0	40	-1.0	-50.04	352.02	5.44	-44.60
COC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CN=C2C=C1	REAL300020025095	0	40	-1.0	-46.88	345.79	2.55	-44.33
CC1=C2NC=NC2=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025096	0	37	-1.0	-47.69	319.70	3.33	-44.36
CCC1=C(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NO1	REAL300020025097	0	36	-1.0	-43.94	312.01	2.56	-41.38
CC(C)CCCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025098	0	43	-1.0	-50.25	354.21	3.86	-46.39
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@H]12	REAL300020025099	0	49	-1.0	-49.92	401.56	2.54	-47.38
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)C	REAL300020025100	0	43	-1.0	-52.48	355.25	3.89	-48.59
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)CC2(CCC2)C1	REAL300020025101	0	38	-1.0	-40.18	319.64	3.92	-36.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCNC1=O	REAL300020025102	0	38	-1.0	-41.13	299.32	0.30	-40.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC=C1C1CCC1	REAL300020025103	0	38	-1.0	-48.74	320.27	2.18	-46.56
CC1CC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(C)O1	REAL300020025104	0	44	-1.0	-47.66	345.06	2.82	-44.84
COCCN1C=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020025105	0	41	-1.0	-58.07	348.21	2.71	-55.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300020025106	0	39	-1.0	-52.07	327.80	2.63	-49.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300020025107	0	34	-1.0	-49.04	332.70	2.72	-46.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12COC[C@H]1C2(F)F	REAL300020025109	0	33	-1.0	-47.06	294.42	0.83	-46.23
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025110	0	37	-1.0	-43.19	327.54	4.31	-38.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN(C2CCC2)C1=O	REAL300020025111	0	41	-1.0	-53.26	338.97	4.02	-49.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020025112	0	36	-1.0	-53.08	336.37	3.50	-49.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020025113	0	34	-1.0	-43.21	318.23	3.91	-39.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020025114	0	34	-1.0	-44.23	316.91	3.86	-40.37
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025115	0	40	-1.0	-40.32	338.37	4.78	-35.54
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025116	0	42	-1.0	-56.05	356.88	4.13	-51.92
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025117	0	42	-1.0	-51.23	347.02	2.61	-48.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=C2C=CSC2=C1	REAL300020025118	0	33	-1.0	-43.94	307.11	2.73	-41.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020025119	0	33	-1.0	-43.17	323.43	3.02	-40.15
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025120	0	37	-1.0	-64.38	323.96	1.91	-62.47
COC1=C2NC=C(CC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2=CC=C1	REAL300020025121	0	42	-1.0	-53.55	359.02	3.06	-50.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020025122	0	35	-1.0	-42.67	329.38	3.56	-39.11
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=C1	REAL300020025123	0	43	-1.0	-49.60	368.83	4.87	-44.73
COCC(C)(O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025124	0	38	-1.0	-48.59	314.09	-0.43	-49.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(COCC2)N=C1Cl	REAL300020025125	0	38	-1.0	-46.60	334.32	1.76	-44.84
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025126	0	40	-1.0	-58.01	350.74	-0.32	-58.33
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC2=C1CCCC2	REAL300020025127	0	42	-1.0	-47.91	341.04	3.92	-43.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(CC2CCC2)=CN1	REAL300020025128	0	42	-1.0	-45.15	351.61	4.38	-40.77
COC(=O)C1=CSC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025129	0	37	-1.0	-52.77	344.02	3.52	-49.25
COC(=O)C1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020025130	0	40	-1.0	-55.96	356.95	4.42	-51.54
CCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CS1	REAL300020025131	0	34	-1.0	-42.51	302.35	3.53	-38.98
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020025132	0	40	0.0	-67.88	322.61	3.20	-64.68
CCCCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020025133	0	39	-1.0	-43.74	338.32	1.79	-41.95
C[C@H]1C(=O)N(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[C@H]1C	REAL300020025134	0	40	-1.0	-49.72	338.62	1.82	-47.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CNC(=O)C2)CC1	REAL300020025135	0	45	-1.0	-50.83	354.31	1.14	-49.69
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1(C)C	REAL300020025136	0	40	-1.0	-47.80	336.28	3.26	-44.54
COC(=O)C1=C2CCCCC2=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300020025137	0	44	-1.0	-41.66	376.57	5.24	-36.42
CCC1=NOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020025138	0	35	-1.0	-51.06	303.36	2.17	-48.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(C2CCOCC2)=NO1	REAL300020025139	0	43	-1.0	-57.63	356.96	2.24	-55.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(CC2=CC=CC=C2)=NO1	REAL300020025140	0	42	-1.0	-57.04	363.54	5.15	-51.89
CC1=NOC2(CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2)C1	REAL300020025141	0	39	-1.0	-48.48	330.17	2.24	-46.24
CCCC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1C	REAL300020025142	0	40	-1.0	-44.80	341.18	2.87	-41.93
CCCC1=NN(C)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025143	0	40	-1.0	-43.05	336.36	3.13	-39.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020025144	0	46	0.0	-61.61	345.42	4.17	-57.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2CCCCC2=NNC1=O	REAL300020025145	0	40	-1.0	-43.63	327.88	1.31	-42.32
CC(C)CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NO1	REAL300020025146	0	39	-1.0	-41.14	335.01	3.24	-37.90
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025147	0	37	-1.0	-43.60	322.58	3.36	-40.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(C2CCOCC2)S1	REAL300020025148	0	41	-1.0	-43.99	355.87	1.80	-42.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020025149	0	36	-1.0	-40.74	322.19	1.63	-39.11
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN21	REAL300020025150	0	38	0.0	-64.07	324.47	4.76	-59.31
CC1=NC=C2C=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN21	REAL300020025150	1	37	-1.0	-45.33	321.05	4.31	-41.02
CC1=CN2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CCC2=N1	REAL300020025151	0	41	-1.0	-50.01	339.10	3.77	-46.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C2COCCC2=C1	REAL300020025152	0	38	-1.0	-43.48	321.64	1.32	-42.16
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025153	0	39	-1.0	-46.72	335.42	5.15	-41.57
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1CC(F)(F)F	REAL300020025154	0	37	-1.0	-46.33	337.53	2.58	-43.75
CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC(Cl)=C21	REAL300020025155	0	38	-1.0	-48.18	338.52	5.06	-43.12
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025156	0	40	-1.0	-43.28	350.56	4.78	-38.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)C1CCOCC1	REAL300020025157	0	38	-1.0	-47.69	316.50	1.55	-46.14
CCC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020025158	0	36	-1.0	-43.05	312.87	2.76	-40.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC(N2C=CC=N2)=N1	REAL300020025159	0	36	-1.0	-44.75	325.49	1.73	-43.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=CC2=CN=CC=C21	REAL300020025160	0	36	-1.0	-44.49	316.02	3.58	-40.91
CN1N=NC=C1C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020025161	0	40	-1.0	-48.87	342.24	2.81	-46.06
CC(C)(CCC#N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025162	0	37	-1.0	-54.78	311.13	2.97	-51.81
CC(=O)NC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020025163	0	41	-1.0	-51.78	343.51	3.47	-48.31
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020025164	0	49	-1.0	-46.32	393.71	3.88	-42.44
CC(C)(F)C(C)(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025165	0	36	-1.0	-48.97	297.57	2.54	-46.43
CC1=C(F)C=CC=C1C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020025166	0	41	-1.0	-48.80	346.67	5.40	-43.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CS2)CCCC1	REAL300020025167	0	41	-1.0	-45.91	341.20	5.22	-40.69
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044202	0	41	-1.0	-43.59	359.71	5.36	-38.23
CC1=CC=C(OC(C)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1	REAL300020044203	0	44	-1.0	-44.37	364.39	5.53	-38.84
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044204	0	44	-1.0	-57.61	369.40	-0.65	-58.26
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300020044205	0	37	-1.0	-53.81	330.93	5.83	-47.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300020044206	0	40	-1.0	-51.67	348.75	4.73	-46.94
CN1C=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300020044207	0	33	-1.0	-51.18	290.50	1.85	-49.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(Cl)SC2=C1SN=N2	REAL300020044208	0	29	-1.0	-48.07	308.88	1.39	-46.68
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C2	REAL300020044209	0	38	-1.0	-53.24	344.36	1.85	-51.39
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C2	REAL300020044209	1	37	-2.0	-98.07	342.06	1.38	-96.69
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)NC2=C1	REAL300020044210	0	44	-1.0	-51.09	382.14	4.26	-46.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300020044211	0	42	-1.0	-55.55	363.36	5.31	-50.24
COC(=O)C1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300020044212	0	40	-1.0	-57.12	337.79	4.25	-52.87
C=CCCC(CC(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044213	0	46	-1.0	-40.20	361.63	5.22	-34.98
C=CCC(CC(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044214	0	43	-1.0	-40.91	343.08	4.43	-36.48
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CC1	REAL300020044215	0	49	-1.0	-44.79	392.27	2.18	-42.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300020044216	0	44	-1.0	-60.99	378.18	5.61	-55.38
CC(C)(C)C1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL300020044217	0	41	-1.0	-44.30	337.62	2.14	-42.16
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=CSC=C2)C=C1	REAL300020044218	0	38	-1.0	-52.06	337.64	5.49	-46.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2CCOC(=O)C2=C1	REAL300020044219	0	38	-1.0	-65.07	328.73	3.99	-61.08
CC(C)COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL300020044220	0	46	-1.0	-43.14	367.43	4.43	-38.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(CC(F)(F)F)C=N1	REAL300020044221	0	34	-1.0	-53.75	319.17	3.58	-50.17
O=C(CCCCC1CSSC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044222	0	42	-1.0	-45.56	365.14	6.22	-39.34
CNC(=O)N1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044223	0	43	-1.0	-50.27	348.00	1.02	-49.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300020044224	0	36	-1.0	-49.12	324.19	3.96	-45.16
CC1=CC2=CC=CN=C2C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044225	0	39	-1.0	-61.03	333.39	4.52	-56.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C2N=CC=CN12	REAL300020044226	0	33	-1.0	-48.33	293.42	3.92	-44.41
O=C(CC1=CC(Br)=CS1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044227	0	31	-1.0	-51.77	309.00	3.47	-48.30
CC1OC2(C)CC1(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020044228	0	39	-1.0	-49.53	317.44	2.04	-47.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12COC(C=CC1)C2	REAL300020044229	0	37	-1.0	-41.18	304.62	1.59	-39.59
CN1C=C(C2=CC=CC=C2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020044230	0	41	-1.0	-57.96	348.75	4.33	-53.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C2CCC2)ON=C1	REAL300020044231	0	37	-1.0	-48.19	317.66	3.40	-44.79
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CN=C2C=C1	REAL300020044232	0	39	-1.0	-43.15	335.77	3.68	-39.47
COC1(C2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)COC1	REAL300020044233	0	43	-1.0	-57.00	353.49	2.35	-54.65
COCCN1C=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300020044234	0	45	-1.0	-56.44	379.75	4.75	-51.69
CC(C)N1C=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300020044235	0	44	-1.0	-56.93	364.45	6.16	-50.77
C[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C=C1	REAL300020044236	0	37	-1.0	-51.99	319.68	4.33	-47.66
O=C(NC1=CC(N2N=N[N-]C2=O)=CC=C1)[C@H]1C[C@@H](C2=CC=CC=C2)C1	REAL300020044237	0	41	-1.0	-52.34	341.22	5.51	-46.83
CCC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC(F)(F)F	REAL300020044238	0	39	-1.0	-44.46	322.49	3.58	-40.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12COC(C1)CCC2	REAL300020044239	0	39	-1.0	-41.35	308.50	1.69	-39.66
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(CO1)C2	REAL300020044240	0	36	-1.0	-48.54	297.66	1.30	-47.24
CC12CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CO1)C2	REAL300020044241	0	39	-1.0	-40.49	319.02	1.76	-38.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300020044242	0	37	-1.0	-48.59	343.92	4.35	-44.24
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300020044243	0	37	-1.0	-48.22	354.24	4.80	-43.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300020044244	0	37	-1.0	-49.70	354.25	4.80	-44.90
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC2=CC(F)=CC(F)=C21	REAL300020044245	0	38	-1.0	-49.77	334.84	3.74	-46.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020044246	0	41	-1.0	-57.70	354.17	1.59	-56.11
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CC2F)C1	REAL300020044247	0	35	-1.0	-52.50	303.45	3.51	-48.99
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN2CC(F)CC2=C1	REAL300020044248	0	35	-1.0	-55.08	308.88	1.76	-53.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCN(CCC1)S2(=O)=O	REAL300020044249	0	40	-1.0	-45.66	330.26	-0.66	-46.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300020044250	0	40	-1.0	-61.77	352.06	2.75	-59.02
CC1=CC=CC(C2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2(F)F)=C1	REAL300020044251	0	41	-1.0	-42.08	356.31	5.81	-36.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C2CC2)ON=C1Br	REAL300020044252	0	34	-1.0	-48.49	327.48	3.37	-45.12
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2C=CC1C2	REAL300020044253	0	37	-1.0	-49.77	312.26	3.54	-46.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(N1)C(Br)=CO2	REAL300020044254	0	32	-1.0	-50.18	308.87	1.69	-48.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C([N-]1)C(Br)=CO2	REAL300020044254	1	31	-2.0	-90.60	306.58	1.20	-89.40
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)N2)O1	REAL300020044255	0	35	-1.0	-52.93	309.06	1.88	-51.05
CC(C)C1=CNC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=NC2=C1	REAL300020044256	0	43	-1.0	-62.81	362.57	3.10	-59.71
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CC2=CC=CC=C21	REAL300020044258	0	40	-1.0	-51.59	330.61	5.90	-45.69
COC1=CC=CC(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020044259	0	40	-1.0	-43.57	345.10	1.29	-42.28
CN1N=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=C1CCOC2	REAL300020044260	0	39	-1.0	-53.77	330.14	0.82	-52.95
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044261	0	40	-1.0	-51.69	334.69	4.92	-46.77
COC1=CC(C)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020044262	0	37	-1.0	-49.03	315.91	0.49	-48.54
CC1=CC=C(C2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CCC(=O)CC2)C=C1	REAL300020044263	0	49	-1.0	-52.18	384.18	6.25	-45.93
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCOCC2)CC1(F)F	REAL300020044264	0	42	-1.0	-43.90	342.88	3.21	-40.69
CN1C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC2=C1C=CS2	REAL300020044265	0	35	-1.0	-41.66	314.06	3.69	-37.97
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1CC(F)F	REAL300020044266	0	37	-1.0	-52.01	328.23	2.43	-49.58
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1C1CCC1	REAL300020044267	0	41	-1.0	-50.71	341.64	3.51	-47.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2CCCCC2=CN1	REAL300020044268	0	39	-1.0	-53.60	320.82	3.32	-50.28
CC[C@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL300020044269	0	42	-1.0	-50.13	325.41	3.74	-46.39
CC1=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC=C1	REAL300020044270	0	34	-1.0	-52.18	306.70	3.43	-48.75
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=NC=N1	REAL300020044271	0	36	-1.0	-42.72	308.29	3.56	-39.16
CC1=NN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1C	REAL300020044272	0	40	-1.0	-46.97	338.90	2.78	-44.19
C#CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOC1	REAL300020044273	0	37	-1.0	-49.74	310.46	2.12	-47.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300020044274	0	34	-1.0	-59.84	314.83	4.47	-55.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020044275	0	38	-1.0	-54.12	347.56	5.50	-48.62
CC(=O)C1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300020044276	0	32	-1.0	-53.16	306.02	0.67	-52.49
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044277	0	35	-1.0	-52.54	332.75	-0.84	-53.38
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300020044278	0	38	-1.0	-66.40	333.83	2.03	-64.37
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044279	0	34	-1.0	-55.21	318.94	2.95	-52.26
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)CC1	REAL300020044280	0	44	-1.0	-68.03	386.64	2.61	-65.42
CC1=C2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)SC2=C(C)S1	REAL300020044281	0	37	-1.0	-49.85	346.78	5.01	-44.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2N=CC=C2C=C1	REAL300020044282	0	34	-1.0	-55.52	299.81	2.83	-52.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2=NN=CN21	REAL300020044283	0	37	-1.0	-46.64	307.49	3.90	-42.74
CC1(C)CCCC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020044284	0	44	-1.0	-44.29	346.15	3.74	-40.55
COC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN=C1	REAL300020044285	0	37	-1.0	-58.66	323.73	2.01	-56.65
CCN1C(=O)CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044286	0	38	-1.0	-48.55	322.94	2.18	-46.37
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020044287	0	43	-1.0	-48.11	346.44	-0.19	-48.30
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044288	0	38	-1.0	-47.76	337.24	5.28	-42.48
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C2	REAL300020044289	0	45	-1.0	-56.66	375.83	4.93	-51.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300020044290	0	39	-1.0	-57.79	338.67	3.90	-53.89
COC1=CC2=NC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2C=C1	REAL300020044291	0	40	-1.0	-52.93	338.50	2.74	-50.19
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC2=C1CCC2	REAL300020044292	0	37	-1.0	-51.22	310.82	3.12	-48.10
CCSC1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044293	0	44	-1.0	-55.15	355.14	5.09	-50.06
CC1=CC(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C)=N1	REAL300020044294	0	42	-1.0	-43.42	356.81	4.00	-39.42
CC1=CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300020044295	0	40	-1.0	-52.50	340.37	5.96	-46.54
O=C(CCC1=CC=CC(=O)N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044296	0	37	-1.0	-49.63	323.34	1.33	-48.30
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC(Cl)=C1Cl	REAL300020044297	0	28	-1.0	-54.08	294.30	3.09	-50.99
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300020044298	0	43	-1.0	-60.54	365.28	2.50	-58.04
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044299	0	41	-1.0	-54.28	341.43	3.39	-50.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300020044300	0	38	-1.0	-52.99	340.34	4.28	-48.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNC=C1Br	REAL300020044301	0	29	-1.0	-59.30	279.43	1.56	-57.74
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044302	0	41	-1.0	-52.73	370.51	2.69	-50.04
CCC1=C(C)SC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044303	0	37	-1.0	-50.69	321.33	4.10	-46.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(OC(F)(F)F)C1	REAL300020044304	0	35	-1.0	-40.35	316.48	1.59	-38.76
CS(=O)(=O)C1=COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044305	0	34	-1.0	-58.63	319.94	-1.48	-60.11
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044306	0	42	-1.0	-54.87	351.02	3.82	-51.05
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044307	0	42	-1.0	-55.05	351.02	3.82	-51.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300020044308	0	40	-1.0	-50.13	348.75	4.74	-45.39
CC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1Br	REAL300020044309	0	33	-1.0	-46.45	309.61	2.45	-44.00
COC1=CC(Br)=CN=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044310	0	34	-1.0	-50.12	318.99	2.40	-47.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300020044311	0	40	-1.0	-62.43	356.16	0.70	-61.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOC(=O)CC1	REAL300020044312	0	37	-1.0	-59.98	306.72	2.46	-57.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2SCCC(=O)C2=C1	REAL300020044313	0	38	-1.0	-59.22	337.38	4.34	-54.88
CCN1N=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300020044314	0	36	-1.0	-48.08	312.15	0.77	-47.31
CCC1=CC=C(N2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)N=N2)C=C1	REAL300020044315	0	43	-1.0	-47.71	373.13	4.19	-43.52
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CN(C)C1=O	REAL300020044316	0	37	-1.0	-51.82	318.76	2.51	-49.31
O=C(CC1CCCC(F)(F)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044317	0	40	-1.0	-46.68	328.55	4.12	-42.56
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044318	0	52	-1.0	-41.81	408.72	7.68	-34.13
CC1=NN=NN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044319	0	32	-1.0	-65.39	288.43	0.15	-65.24
O=C(CC1CC(C(F)F)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044320	0	37	-1.0	-42.34	317.17	3.65	-38.69
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044321	0	42	-1.0	-52.98	355.36	4.86	-48.12
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044322	0	39	-1.0	-59.08	346.68	3.13	-55.95
C=CCN(CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)OC(C)(C)C	REAL300020044323	0	51	-1.0	-43.67	414.93	4.57	-39.10
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300020044324	0	46	-1.0	-61.34	371.45	5.47	-55.87
CC1=CC(Cl)=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300020044325	0	31	-1.0	-51.59	300.61	3.36	-48.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(=O)N(C2CC2)C1	REAL300020044326	0	42	-1.0	-53.51	342.24	2.68	-50.83
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044327	0	47	-1.0	-44.60	381.31	2.57	-42.03
CN1N=NC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044328	0	33	-1.0	-61.34	291.68	0.06	-61.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300020044329	0	44	-1.0	-45.38	369.70	4.24	-41.14
N#CC1=CN=C(Cl)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044330	0	31	-1.0	-55.64	302.57	1.96	-53.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=C1C(=O)NC2	REAL300020044331	0	36	-1.0	-70.32	309.54	1.92	-68.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300020044332	0	41	-1.0	-46.63	352.11	2.60	-44.03
CCC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300020044333	0	37	-1.0	-48.37	328.40	4.84	-43.53
CC1=CN=C(N2CCOCC2)N=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044334	0	45	-1.0	-47.46	369.69	2.18	-45.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(CC2CC2)C=C1	REAL300020044335	0	41	-1.0	-51.42	347.16	6.06	-45.36
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(Cl)C2=NC=CC=C2S1	REAL300020044336	0	33	-1.0	-55.91	320.22	3.11	-52.80
N#CC1=CC=C(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300020044337	0	38	-1.0	-44.64	344.99	4.95	-39.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=C(F)C=N1	REAL300020044338	0	29	-1.0	-50.87	272.20	0.60	-50.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300020044339	0	37	-1.0	-56.05	328.22	0.36	-55.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C2CCCCC2=C1	REAL300020044340	0	40	-1.0	-50.01	330.96	3.72	-46.29
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044341	0	39	-1.0	-48.09	335.12	5.09	-43.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1C1=CC=CC=C1Cl	REAL300020044342	0	41	-1.0	-40.67	349.25	5.78	-34.89
COCCN1C=CC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300020044343	0	45	-1.0	-54.88	382.23	4.76	-50.12
CC(C)N1C=CC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300020044344	0	44	-1.0	-55.12	366.59	6.18	-48.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NN1CC1CC1	REAL300020044345	0	38	-1.0	-40.26	311.61	3.45	-36.81
CC1(C)COCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044346	0	41	-1.0	-49.72	317.21	1.91	-47.81
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=NN=CN21	REAL300020044347	0	33	-1.0	-48.93	289.79	4.04	-44.89
C=CCOCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)(C)C	REAL300020044348	0	47	-1.0	-39.33	370.15	4.42	-34.91
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020044349	0	43	-1.0	-57.09	357.75	-0.69	-57.78
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044350	0	34	-1.0	-45.67	301.84	1.93	-43.74
CC1=NN(C2CCC2)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044351	0	41	-1.0	-40.89	342.64	3.58	-37.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NN1CCC(F)(F)F	REAL300020044352	0	37	-1.0	-41.30	333.71	2.79	-38.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(F)(F)CO1	REAL300020044353	0	35	-1.0	-57.64	303.66	2.20	-55.44
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044354	0	42	-1.0	-53.44	369.68	4.97	-48.47
CC1(C)CCCOC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044355	0	44	-1.0	-53.49	341.00	3.39	-50.10
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044356	0	37	-1.0	-47.21	347.18	2.07	-45.14
CC(=O)NC(COC(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044357	0	44	-1.0	-48.55	365.40	0.96	-47.59
CC1(C)OCC(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020044358	0	42	-1.0	-51.19	348.91	1.90	-49.29
CC1=NN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300020044359	0	32	-1.0	-59.97	289.61	-0.22	-60.19
COC1=CC2=CC=C(CC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300020044360	0	44	-1.0	-56.13	372.77	5.29	-50.84
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044361	0	49	-1.0	-40.14	388.79	6.83	-33.31
CC12CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CC1)OC2	REAL300020044362	0	42	-1.0	-47.42	331.57	2.56	-44.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C=COC2=C1	REAL300020044363	0	34	-1.0	-55.15	299.86	3.40	-51.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=C(Br)C(F)=C1	REAL300020044364	0	31	-1.0	-47.83	305.63	3.75	-44.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300020044365	0	37	-1.0	-44.62	335.04	3.72	-40.90
C#CC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044366	0	33	-1.0	-54.71	300.21	4.24	-50.47
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=C(F)C2=CC=CC=C21	REAL300020044367	0	36	-1.0	-46.96	316.82	3.64	-43.32
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044368	0	37	-1.0	-50.79	314.42	1.40	-49.39
CCN1N=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C	REAL300020044369	0	37	-1.0	-52.30	320.26	2.23	-50.07
CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C(F)=C1	REAL300020044370	0	40	-1.0	-50.22	345.13	5.08	-45.14
CCCN1C=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044371	0	38	-1.0	-41.63	317.45	4.12	-37.51
CC(C)(C)N1C=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020044372	0	43	-1.0	-47.10	360.34	3.53	-43.57
CC1=CC=C(C2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2)C(F)=C1	REAL300020044373	0	41	-1.0	-55.07	352.24	5.66	-49.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020044374	0	31	-2.0	-102.43	300.78	3.07	-99.36
CCCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=NN1CC	REAL300020044375	0	42	-1.0	-48.37	355.39	2.25	-46.12
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044376	0	40	-1.0	-53.52	353.53	5.30	-48.22
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300020044377	0	41	-1.0	-60.04	350.59	4.09	-55.95
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044378	0	43	-1.0	-47.11	370.87	1.46	-45.65
CC1=NNC2=C1CC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)CC2	REAL300020044379	0	41	-1.0	-52.75	336.71	2.37	-50.38
CC1=C2CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CCC2=NN1	REAL300020044379	1	41	-1.0	-52.75	336.71	2.37	-50.38
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044380	0	42	-1.0	-56.94	357.14	2.93	-54.01
CSC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1[N+](=O)[O-]	REAL300020044381	0	37	-1.0	-51.68	336.70	4.59	-47.09
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044382	0	41	-1.0	-47.36	348.42	4.73	-42.63
N#CC1=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=NN2C=C1	REAL300020044383	0	35	-1.0	-57.62	321.42	3.20	-54.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300020044384	0	41	-1.0	-54.07	358.30	4.14	-49.93
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044385	0	45	-1.0	-62.34	375.96	1.89	-60.45
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2N=NC=C2C=C1	REAL300020044386	0	33	-1.0	-58.65	294.50	1.55	-57.10
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@H](C)O1	REAL300020044387	0	42	-1.0	-50.99	350.46	1.02	-49.97
O=C(CCC1=C(Br)C=CS1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044388	0	34	-1.0	-41.36	328.65	4.17	-37.19
O=C(CCNC1=CN=CN=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044389	0	37	-1.0	-46.18	322.21	0.71	-45.47
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044390	0	52	-1.0	-58.60	407.84	5.96	-52.64
CC(C)OC1=CC=C(Cl)N=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044391	0	40	-1.0	-52.32	354.97	3.78	-48.54
C=CCOC1=CC=C(Cl)N=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044392	0	38	-1.0	-52.71	349.29	3.72	-48.99
O=C(CC1CC2(CCC2)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044393	0	41	-1.0	-41.98	334.27	4.66	-37.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC(F)(F)CC1	REAL300020044394	0	40	-1.0	-55.14	318.06	3.83	-51.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC(CF)=C1	REAL300020044395	0	30	-1.0	-48.29	280.17	1.27	-47.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020044396	0	38	-1.0	-53.43	334.15	5.29	-48.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2=CC=NN2C1	REAL300020044397	0	38	-1.0	-43.69	318.77	2.31	-41.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2C=NSC2=CC=C1	REAL300020044398	0	33	-1.0	-56.41	300.61	3.10	-53.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=NON=C21	REAL300020044399	0	32	-1.0	-64.07	289.23	1.91	-62.16
CN1C=C(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020044400	0	35	-1.0	-47.26	311.01	1.32	-45.94
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=C1	REAL300020044401	0	37	-1.0	-59.60	346.15	1.09	-58.51
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(C2CC2)=NO1	REAL300020044402	0	39	-1.0	-46.83	333.41	2.61	-44.22
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC(C2CC2)=NC=C1Cl	REAL300020044403	0	36	-1.0	-46.95	330.01	3.31	-43.64
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044404	0	52	-1.0	-52.68	406.77	5.21	-47.47
C#CC1=CC=C(C2CC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020044405	0	40	-1.0	-56.21	344.47	6.20	-50.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(C1)OC2	REAL300020044406	0	36	-1.0	-50.30	297.36	1.13	-49.17
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC=C2C=N1	REAL300020044407	0	39	-1.0	-53.45	336.75	3.85	-49.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCC2)CC1(F)F	REAL300020044408	0	38	-1.0	-41.49	316.51	4.31	-37.18
CN1N=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C(C3CC3)N=C21	REAL300020044409	0	43	-1.0	-53.38	364.62	4.15	-49.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300020044410	0	41	-1.0	-52.18	345.92	4.43	-47.75
CCC1=NOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044411	0	33	-1.0	-45.94	295.08	1.82	-44.12
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044412	0	51	-1.0	-61.44	404.58	2.21	-59.23
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044413	0	43	-1.0	-50.73	334.54	4.31	-46.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2C(=O)NCCN2N=C1	REAL300020044414	0	36	-1.0	-65.11	311.99	-0.31	-65.42
CC=CC1=CC=C(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(OC)=C1	REAL300020044415	0	46	-1.0	-48.43	388.23	5.26	-43.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(=O)CC12CCC2	REAL300020044416	0	40	-1.0	-60.09	327.99	3.43	-56.66
CC1=CNC2=NC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C12	REAL300020044417	0	37	-1.0	-53.84	321.26	3.00	-50.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300020044418	0	38	-1.0	-55.30	334.61	1.75	-53.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300020044419	0	48	-1.0	-54.67	382.68	5.76	-48.91
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)O1	REAL300020044420	0	42	-1.0	-56.64	367.58	0.44	-56.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2=CC=CN=C2C1	REAL300020044421	0	37	-1.0	-56.28	314.59	3.03	-53.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300020044422	0	43	-1.0	-55.27	369.06	6.83	-48.44
CC1=CC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN=C2C(F)=C1	REAL300020044423	0	39	-1.0	-51.14	341.86	4.16	-46.98
CN1C=C(C2=NC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CO2)C=N1	REAL300020044424	0	37	-1.0	-51.22	336.54	-0.77	-51.99
COC1=C2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)NC2=C(C)C=C1	REAL300020044425	0	42	-1.0	-53.95	357.45	2.93	-51.02
CCCCOC1=CC=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020044426	0	47	-1.0	-44.44	391.93	5.53	-38.91
COC1=NC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300020044427	0	40	-1.0	-51.55	346.18	1.93	-49.62
CC1=CN2C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN=C2S1	REAL300020044428	0	34	-1.0	-42.78	309.95	3.46	-39.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=C(Cl)S1	REAL300020044429	0	28	-1.0	-47.24	298.12	3.15	-44.09
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044430	0	42	-1.0	-49.94	346.97	3.67	-46.27
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOC1	REAL300020044431	0	38	-1.0	-51.70	310.21	1.40	-50.30
COC1CC2(C1)CCC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)CC2	REAL300020044432	0	48	-1.0	-52.74	375.96	3.93	-48.81
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044433	0	49	-1.0	-42.36	395.80	7.34	-35.02
CCC(C)(C)C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044434	0	52	-1.0	-41.74	375.02	5.63	-36.11
CC1=CC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN=C2C=C1	REAL300020044435	0	39	-1.0	-51.19	335.64	4.07	-47.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1COC2COCC21	REAL300020044436	0	37	-1.0	-50.73	305.53	-0.62	-51.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CC(=O)C2)CC1	REAL300020044437	0	43	-1.0	-53.88	346.03	4.09	-49.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300020044438	0	38	-1.0	-60.35	328.91	2.80	-57.55
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044439	0	46	-1.0	-42.56	374.38	6.57	-35.99
COC1(C(F)(F)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL300020044440	0	41	-1.0	-48.10	330.56	3.08	-45.02
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044441	0	45	-1.0	-51.30	372.71	4.62	-46.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC12CCC(F)(F)CC2	REAL300020044442	0	41	-1.0	-52.89	339.57	4.65	-48.24
CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1Br	REAL300020044443	0	33	-1.0	-47.60	309.57	2.40	-45.20
CN(C)C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1[N+](=O)[O-]	REAL300020044444	0	41	-1.0	-51.92	353.36	4.31	-47.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300020044445	0	35	-1.0	-50.84	320.76	2.92	-47.92
CC1CCOC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044446	0	38	-1.0	-44.83	307.74	2.08	-42.75
COC(=O)C1=CSC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044447	0	34	-1.0	-56.94	321.01	2.71	-54.23
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044448	0	42	-1.0	-49.93	344.47	3.55	-46.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300020044449	0	39	-1.0	-49.53	360.23	5.14	-44.39
N#CC1=CC=C(C2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)N=CO2)C=C1	REAL300020044450	0	38	-1.0	-51.53	349.64	1.85	-49.68
COC1CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1(C)C	REAL300020044451	0	44	-1.0	-54.53	353.63	2.94	-51.59
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020044452	0	41	-1.0	-43.36	364.46	5.10	-38.26
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=NN21	REAL300020044453	0	45	-1.0	-61.09	371.14	4.46	-56.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCCN1C(=O)CCCC2	REAL300020044454	0	45	-1.0	-47.46	344.79	3.44	-44.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020044455	0	41	-1.0	-44.20	355.37	6.14	-38.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CC2(F)F)C1	REAL300020044456	0	38	-1.0	-42.21	325.20	4.13	-38.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2C1C2(F)F	REAL300020044457	0	38	-1.0	-56.48	315.30	3.95	-52.53
C=C1CC2(C1)CC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020044458	0	39	-1.0	-41.28	326.67	4.41	-36.87
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044459	0	42	-1.0	-59.23	348.44	4.56	-54.67
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300020044460	0	45	-1.0	-53.19	369.71	5.71	-47.48
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044461	0	49	-1.0	-49.23	352.44	5.06	-44.17
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@@H]12	REAL300020044462	0	49	-1.0	-52.21	402.23	2.53	-49.68
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C(F)F)=NN1C	REAL300020044463	0	37	-1.0	-53.20	334.61	2.06	-51.14
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044464	0	42	-1.0	-50.92	348.15	1.78	-49.14
CCC1=CC=C(C(=O)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300020044465	0	36	-1.0	-44.92	328.16	3.54	-41.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC(C2CCCC2)=C1	REAL300020044466	0	41	-1.0	-49.43	341.06	2.73	-46.70
CC1(C)OC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C2NC1=O	REAL300020044467	0	43	-1.0	-55.37	363.29	1.62	-53.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300020044468	0	39	-1.0	-54.03	327.01	2.21	-51.82
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C21	REAL300020044469	0	39	-1.0	-56.96	342.71	1.98	-54.98
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C12	REAL300020044470	0	43	-1.0	-51.88	363.79	5.79	-46.09
CN1N=CC(C#N)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044471	0	32	-1.0	-45.07	295.24	1.12	-43.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC2=C1CCNC2=O	REAL300020044472	0	38	-1.0	-49.47	322.18	-0.29	-49.76
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NC=C1C(F)F	REAL300020044473	0	36	-1.0	-50.60	319.89	2.74	-47.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(CCCNC2=O)S1	REAL300020044474	0	39	-1.0	-60.09	342.25	1.35	-58.74
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044475	0	40	-1.0	-58.34	341.25	1.07	-57.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2C1C2(F)F	REAL300020044476	0	35	-1.0	-52.34	302.85	3.45	-48.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300020044477	0	35	-1.0	-50.20	327.29	2.26	-47.94
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044478	0	51	-1.0	-42.90	416.30	0.83	-42.07
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044479	0	51	-1.0	-51.09	407.71	2.31	-48.78
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044480	0	42	-1.0	-48.35	353.52	3.86	-44.49
CC1=C(Cl)C=NN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044481	0	34	-1.0	-57.92	314.77	2.11	-55.81
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044482	0	45	-1.0	-50.00	376.39	1.85	-48.15
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N2C=C(C)SC2=N1	REAL300020044483	0	40	-1.0	-52.24	349.18	4.80	-47.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(C2CCCO2)O1	REAL300020044484	0	43	-1.0	-54.61	351.58	2.26	-52.35
CN1N=NC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300020044485	0	36	-1.0	-70.06	315.76	1.68	-68.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C2OCCCC2=C1	REAL300020044486	0	38	-1.0	-51.68	321.71	0.56	-51.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300020044487	0	36	-1.0	-47.26	326.85	2.30	-44.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)CCC1=CC=CC=C1	REAL300020044488	0	40	-1.0	-38.50	350.54	5.46	-33.04
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)S2)S1	REAL300020044489	0	34	-1.0	-49.73	324.08	4.36	-45.37
O=C(CC12CCC(CC1)C2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044490	0	41	-1.0	-51.92	320.84	4.32	-47.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC=CC2=CC=CC=C21	REAL300020044491	0	39	-1.0	-53.87	328.79	5.28	-48.59
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044492	0	42	-1.0	-56.62	368.47	-0.79	-57.41
CCCOCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044493	0	40	-1.0	-43.69	335.81	2.36	-41.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2C=NN=C2C=N1	REAL300020044494	0	32	-1.0	-49.60	290.78	2.63	-46.97
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=NC=CC=C12	REAL300020044495	0	36	-1.0	-53.56	308.53	3.42	-50.14
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044496	0	39	-1.0	-57.62	329.32	4.41	-53.21
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2SC=CC2=CN=C1	REAL300020044497	0	33	-1.0	-53.33	302.68	2.65	-50.68
CC(C)C(C)C(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044498	0	45	-1.0	-50.21	342.85	4.27	-45.94
COC1CC2(C1)CC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020044499	0	42	-1.0	-42.07	346.58	2.85	-39.22
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044500	0	47	-1.0	-54.34	388.70	5.23	-49.11
CO[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@@H]12	REAL300020044501	0	36	-1.0	-54.28	309.69	1.71	-52.57
CC1(C)CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL300020044502	0	41	-1.0	-49.12	324.04	2.06	-47.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020044503	0	38	-1.0	-51.49	353.91	5.87	-45.62
O=C(CC1CCCNC(=O)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044504	0	41	-1.0	-67.55	329.57	0.58	-66.97
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300020044505	0	47	-1.0	-42.13	372.23	6.61	-35.52
CN1C=NC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300020044506	0	37	-1.0	-64.85	320.86	4.53	-60.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300020044507	0	41	-1.0	-60.04	360.91	-0.59	-60.63
CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCO1	REAL300020044508	0	38	-1.0	-50.08	304.79	2.41	-47.67
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC2=CC=CNC2=C1	REAL300020044509	0	34	-1.0	-66.03	302.63	1.22	-64.81
COC1=C(Cl)C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=NC=CC=C21	REAL300020044510	0	40	-1.0	-56.21	360.95	3.91	-52.30
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2C3CC1C(=O)C32	REAL300020044511	0	35	-1.0	-49.00	297.79	2.76	-46.24
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN2N=NC=C12	REAL300020044512	0	33	-1.0	-47.51	291.33	1.62	-45.89
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020044513	0	47	0.0	-79.20	380.82	4.75	-74.45
CP(C)(=O)C1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044514	0	40	-1.0	-61.20	353.01	2.62	-58.58
COCC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL300020044515	0	36	-1.0	-53.08	314.28	0.55	-52.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300020044516	0	45	-1.0	-67.24	378.54	2.88	-64.36
CN1C=NC2=C1CCCC2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044517	0	41	-1.0	-46.64	336.71	4.85	-41.79
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044518	0	41	-1.0	-63.89	361.11	0.46	-63.43
CC(C)(C)OC(=O)NOCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044519	0	48	-1.0	-50.91	398.67	1.93	-48.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300020044520	0	41	-1.0	-48.70	363.46	3.76	-44.94
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1C(C)C(C)C	REAL300020044521	0	46	-1.0	-50.61	373.19	4.28	-46.33
CCCSC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044522	0	41	-1.0	-54.59	356.10	5.71	-48.88
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044523	0	45	-1.0	-51.57	360.19	4.95	-46.62
COC1=CC=C(Cl)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020044524	0	34	-1.0	-49.01	314.88	0.42	-48.59
CC1=NN(C)C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044525	0	37	-1.0	-58.43	319.49	1.83	-56.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300020044526	0	40	-1.0	-49.19	360.95	5.26	-43.93
CCCCSC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044527	0	44	-1.0	-54.48	377.59	6.49	-47.99
CC1=NC=NC2=C1CC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)CC2	REAL300020044528	0	42	-1.0	-52.15	343.69	3.94	-48.21
CCC(C)CC(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044529	0	42	-1.0	-40.96	332.38	3.97	-36.99
CC(C)N(C)C(=O)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044530	0	43	-1.0	-43.56	352.67	2.54	-41.02
CC1C(=O)N(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)C1C	REAL300020044531	0	40	-1.0	-57.35	344.29	1.96	-55.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(OC(F)(F)F)CC1	REAL300020044532	0	41	-1.0	-41.28	346.93	2.77	-38.51
O=C(CC1=CSC(Cl)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044533	0	31	-1.0	-52.05	304.33	3.29	-48.76
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044534	0	40	-1.0	-41.23	366.25	5.97	-35.26
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(F)(CC1)C2	REAL300020044535	0	38	-1.0	-41.86	312.90	3.60	-38.26
CC(C)OC1=CC=C(F)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044536	0	41	-1.0	-53.11	346.45	5.09	-48.02
COC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C(F)F)=N1	REAL300020044537	0	36	-1.0	-54.79	321.06	-1.36	-56.15
CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC(F)(F)F	REAL300020044538	0	36	-1.0	-54.44	309.95	3.08	-51.36
CC1(C)CC2(CC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044539	0	41	-1.0	-50.82	335.99	4.55	-46.27
O=C(CC1CCC2(CCCC2)CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044540	0	50	-1.0	-41.55	374.90	6.12	-35.43
COC1=CC=C(N2CCCCC2)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044541	0	50	-1.0	-52.56	397.12	4.97	-47.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC12CCC2	REAL300020044542	0	41	-1.0	-41.71	324.99	4.29	-37.42
CC1COC2=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300020044543	0	39	-1.0	-58.12	328.73	4.38	-53.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=CC=CC=N2)S1	REAL300020044544	0	37	-1.0	-52.03	340.24	4.08	-47.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C2CCOCC2=C1	REAL300020044545	0	38	-1.0	-50.37	321.90	1.30	-49.07
O=C(CC1COCC2=CC=CC=C21)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044546	0	42	-1.0	-53.20	342.92	3.58	-49.62
CC1=NN=C2CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CN12	REAL300020044547	0	37	-1.0	-66.26	316.33	3.18	-63.08
O=C(CC1CCCCCC1(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044548	0	43	-1.0	-50.35	334.83	4.39	-45.96
CC12CC(CC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)CO2	REAL300020044549	0	39	-1.0	-55.64	320.25	1.93	-53.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020044550	0	43	-1.0	-54.31	370.21	6.29	-48.02
CC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCS1(=O)=O	REAL300020044551	0	40	-1.0	-60.78	337.20	0.04	-60.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@@H]2CCCCC[C@H]12	REAL300020044552	0	44	-1.0	-41.61	334.01	4.72	-36.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300020044553	0	45	-1.0	-50.87	360.67	6.61	-44.26
CC(C1CC1)N1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1=O	REAL300020044554	0	45	-1.0	-51.57	364.32	3.54	-48.03
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044555	0	48	-1.0	-50.02	390.56	2.85	-47.17
CCC1=CN2CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CCC2=N1	REAL300020044556	0	44	-1.0	-52.89	360.50	4.52	-48.37
O=C(CCC12CCC(CC1)C2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044557	0	44	-1.0	-50.39	345.91	5.06	-45.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020044558	0	44	-1.0	-52.96	375.47	7.52	-45.44
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044559	0	39	-1.0	-58.45	320.60	0.24	-58.21
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC(N2C=CN=C2)=N1	REAL300020044560	0	36	-1.0	-49.74	322.97	2.96	-46.78
CC1(C)CC2=CC=CC(CC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2O1	REAL300020044561	0	45	-1.0	-53.94	374.66	4.96	-48.98
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044562	0	43	-1.0	-51.16	376.87	4.80	-46.36
CC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C#N	REAL300020044563	0	34	-1.0	-51.62	308.14	2.14	-49.48
CN1C=NC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C1=O	REAL300020044564	0	39	-1.0	-64.54	339.44	3.72	-60.82
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044565	0	51	-1.0	-47.56	405.57	2.53	-45.03
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044566	0	50	-1.0	-43.83	404.32	2.06	-41.77
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044567	0	44	-1.0	-42.78	365.07	0.82	-41.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300020044568	0	31	-1.0	-47.61	311.69	4.10	-43.51
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044569	0	45	-1.0	-66.41	381.00	4.21	-62.20
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044570	0	50	-1.0	-49.84	396.60	2.07	-47.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300020044571	0	38	-1.0	-49.62	332.89	-0.30	-49.92
CC1CCC(OCCCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044572	0	50	-1.0	-43.97	395.26	4.96	-39.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)C1CCOC1	REAL300020044573	0	35	-1.0	-43.14	295.63	0.88	-42.26
CCC1(C)CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020044574	0	41	-1.0	-56.04	331.90	3.33	-52.71
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020044575	0	45	-1.0	-59.27	381.24	4.21	-55.06
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044576	0	42	-1.0	-51.00	350.77	3.94	-47.06
CC1(C)C(=O)NC2CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC21	REAL300020044577	0	48	-1.0	-45.63	374.76	1.51	-44.12
COC1(C2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=N2)CCOCC1	REAL300020044578	0	48	-1.0	-50.02	386.97	1.72	-48.30
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2SN=CC2=C1	REAL300020044579	0	33	-1.0	-51.49	304.56	3.23	-48.26
CN1C=NC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C2C1=O	REAL300020044580	0	39	-1.0	-57.49	339.09	3.74	-53.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CCC2)CO1	REAL300020044581	0	39	-1.0	-55.10	320.62	3.00	-52.10
COC1=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(OC)C=C1C	REAL300020044582	0	49	-1.0	-55.64	403.41	4.46	-51.18
O=C(CC1CCCCC1(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044583	0	40	-1.0	-47.77	327.32	4.06	-43.71
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1(C)C	REAL300020044584	0	51	-1.0	-43.24	404.58	3.01	-40.23
CN1N=CC=C1C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020044585	0	41	-1.0	-54.15	348.09	4.02	-50.13
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CC(F)C2)C1	REAL300020044586	0	38	-1.0	-42.38	319.76	3.98	-38.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=CN=NN2C=C1	REAL300020044587	0	33	-1.0	-54.47	294.38	1.63	-52.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(C1)S(=O)(=O)CC2	REAL300020044588	0	41	-1.0	-49.37	333.05	0.12	-49.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2=NC=CC=C21	REAL300020044589	0	40	-1.0	-52.11	328.63	3.83	-48.28
CN1C=C(SCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020044590	0	35	-1.0	-45.86	321.01	2.03	-43.83
O=C(CCC1=C(F)C=CC=C1Cl)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044591	0	37	-1.0	-43.03	338.06	4.99	-38.04
CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC(Cl)=CC=C21	REAL300020044592	0	38	-1.0	-62.09	344.34	5.25	-56.84
O=C(CC1CC2(CCC2)CO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044593	0	42	-1.0	-44.32	340.92	3.29	-41.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(CCF)C=C1	REAL300020044594	0	37	-1.0	-52.25	322.15	4.64	-47.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2=CSC=C2C1	REAL300020044595	0	35	-1.0	-50.37	310.04	3.75	-46.62
CC1=CN2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC2=N1	REAL300020044596	0	37	-1.0	-52.27	321.21	4.21	-48.06
CC1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C2C=CNC2=N1	REAL300020044597	0	36	-1.0	-51.20	316.08	2.16	-49.04
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044598	0	46	-1.0	-51.63	366.02	6.00	-45.63
CC1(C)CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044599	0	46	-1.0	-49.58	338.79	4.56	-45.02
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044600	0	45	-1.0	-55.00	380.34	5.55	-49.45
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044601	0	46	-1.0	-50.96	347.89	4.87	-46.09
CC(C)N1C=C(C2CC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020044602	0	44	-1.0	-47.90	362.59	4.10	-43.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(OCC(F)F)C=C1	REAL300020044603	0	38	-1.0	-54.55	336.95	3.62	-50.93
COC1=CN=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044604	0	33	-1.0	-49.06	294.99	-0.52	-49.58
CC(F)(F)[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044605	0	34	-1.0	-49.14	301.55	3.06	-46.08
CC1CC(=O)NCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044606	0	38	-1.0	-53.22	314.48	-0.29	-53.51
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044607	0	35	-1.0	-58.38	313.88	-0.10	-58.48
CN1N=C(Br)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020044608	0	30	-1.0	-49.39	292.58	-0.32	-49.71
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044609	0	40	-1.0	-47.59	323.72	3.59	-44.00
COC1(C#N)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044610	0	36	-1.0	-44.94	315.22	1.11	-43.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300020044611	0	39	-1.0	-49.52	343.78	5.89	-43.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOC2(CCCCC2)C1	REAL300020044612	0	48	-1.0	-51.44	364.15	4.06	-47.38
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044613	0	44	-1.0	-46.45	376.14	6.51	-39.94
CC1(C)CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL300020044614	0	41	-1.0	-44.53	333.04	2.31	-42.22
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=CC=CC=C21	REAL300020044615	0	43	-1.0	-43.54	355.44	6.38	-37.16
COC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(F)=C1F	REAL300020044616	0	35	-1.0	-48.28	314.92	2.48	-45.80
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044617	0	40	-1.0	-59.25	341.44	3.17	-56.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300020044618	0	33	-1.0	-48.15	321.34	2.89	-45.26
O=C(CC1CCC(=O)NC1=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044619	0	37	-1.0	-54.48	314.00	0.58	-53.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC(=O)C1	REAL300020044620	0	39	-1.0	-42.44	312.61	2.89	-39.55
CCN1N=C(Br)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020044621	0	33	-1.0	-48.92	314.66	0.51	-48.41
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=N1	REAL300020044622	0	42	-1.0	-55.89	359.57	4.32	-51.57
CC(=O)NC1=C2C=CN(CC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C2=CC=C1	REAL300020044623	0	45	-1.0	-64.21	386.15	4.10	-60.11
CN1C(=O)NC2(CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2)C1=O	REAL300020044624	0	46	-1.0	-50.86	370.06	0.73	-50.13
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020044625	0	38	-1.0	-62.16	331.85	3.09	-59.07
CC1=C2NN=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C2=CC=C1	REAL300020044626	0	37	-1.0	-52.01	322.96	2.38	-49.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CCOCC2)O1	REAL300020044627	0	43	-1.0	-56.64	346.07	2.12	-54.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CCC2)O1	REAL300020044628	0	39	-1.0	-56.10	321.76	3.24	-52.86
CC1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044629	0	43	-1.0	-39.98	328.96	4.33	-35.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2CCC2=C1	REAL300020044630	0	35	-1.0	-53.03	300.64	4.41	-48.62
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1Cl	REAL300020044631	0	37	-1.0	-50.03	327.13	4.70	-45.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020044632	0	43	-1.0	-53.48	370.15	5.71	-47.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020044633	0	34	-1.0	-54.28	324.81	3.98	-50.30
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=CC(C2CC2)=N1	REAL300020044634	0	41	-1.0	-56.40	347.56	3.72	-52.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC2=NC=CN2C=C1	REAL300020044635	0	33	-1.0	-52.60	296.73	4.24	-48.36
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020044636	0	43	-1.0	-46.91	353.62	-1.32	-48.23
CCCN1C=C(Cl)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020044637	0	37	-1.0	-52.53	336.48	2.97	-49.56
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(Cl)N=C1C	REAL300020044638	0	36	-1.0	-55.58	319.24	2.87	-52.71
COC(=O)C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044639	0	40	-1.0	-44.46	334.28	3.23	-41.23
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C21	REAL300020044640	0	40	-1.0	-62.94	354.66	2.39	-60.55
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020044641	0	43	-1.0	-48.85	374.23	5.39	-43.46
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=NC=CC=C2F)CC1	REAL300020044642	0	37	-1.0	-42.80	329.61	3.18	-39.62
CC1=C(Cl)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300020044643	0	31	-1.0	-50.15	291.62	0.62	-49.53
CC1=NNC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1Cl	REAL300020044643	1	31	-1.0	-50.15	291.62	0.62	-49.53
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044644	0	35	-1.0	-58.33	311.98	-0.07	-58.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C1=CC=C(F)C=C1)C1CC1	REAL300020044645	0	41	-1.0	-50.84	353.15	5.83	-45.01
CC12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)CCO2	REAL300020044646	0	39	-1.0	-50.58	314.42	1.85	-48.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2CCC2)=NO1	REAL300020044647	0	37	-1.0	-45.62	318.95	3.04	-42.58
CC1=CC(C(F)(F)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300020044648	0	34	-1.0	-46.08	319.93	3.61	-42.47
CC(C)(C#N)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044649	0	37	-1.0	-48.00	313.30	2.82	-45.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(CC(F)F)N=C1	REAL300020044650	0	34	-1.0	-52.70	311.34	2.00	-50.70
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044651	0	37	-1.0	-41.68	334.11	2.69	-38.99
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(Cl)N=C1Cl	REAL300020044652	0	33	-1.0	-46.59	315.02	2.75	-43.84
CC1=C(C)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C(N2C=NN=N2)S1	REAL300020044653	0	39	-1.0	-60.15	354.14	3.51	-56.64
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=CC(N4N=N[N-]C4=O)=C1)(C2)C3	REAL300020044654	0	51	-1.0	-49.29	384.00	5.99	-43.30
CN1C=C(C(F)(F)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020044655	0	34	-1.0	-41.64	311.74	1.64	-40.00
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCCNC1=O	REAL300020044656	0	41	-1.0	-46.40	317.90	0.59	-45.81
COC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C(F)(F)F)=N1	REAL300020044657	0	36	-1.0	-53.93	329.31	-1.19	-55.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300020044658	0	36	-1.0	-43.26	327.30	3.75	-39.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(C2CCC2)C1	REAL300020044659	0	41	-1.0	-50.96	333.84	4.76	-46.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020044660	0	47	-1.0	-52.24	381.81	2.14	-50.10
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044661	0	53	0.0	-72.11	412.87	7.40	-64.71
CC1CN(CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)CCO1	REAL300020044662	0	51	0.0	-83.35	398.67	5.11	-78.24
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)CCO1	REAL300020044662	1	51	0.0	-82.91	398.72	5.12	-77.79
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)CCO1	REAL300020044662	1	51	0.0	-82.91	398.72	5.12	-77.79
CCNC(=O)N1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044663	0	46	-1.0	-49.36	369.68	1.85	-47.51
COC1=CC([C@@H](C)CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C	REAL300020044664	0	47	-1.0	-42.61	381.70	5.02	-37.59
C#CC1=CC=CC(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044665	0	37	-1.0	-47.79	333.47	4.73	-43.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2(CCC2)C1	REAL300020044666	0	44	-1.0	-40.63	342.84	4.94	-35.69
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044667	0	47	-1.0	-52.28	390.65	5.16	-47.12
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020044668	0	47	-1.0	-51.72	392.78	5.29	-46.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300020044669	0	45	-1.0	-45.30	385.68	6.31	-38.99
CC(C)[C@@H](NC(N)=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044670	0	39	-1.0	-48.52	319.41	-2.36	-50.88
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1C=CC(C2CC2)=N1	REAL300020044671	0	44	-1.0	-63.03	363.73	4.46	-58.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CCCCCCC21	REAL300020044672	0	47	-1.0	-42.49	349.31	5.26	-37.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=C1COC2	REAL300020044673	0	36	-1.0	-54.34	306.18	2.37	-51.97
CC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCS1	REAL300020044674	0	38	-1.0	-50.67	319.31	3.72	-46.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN2CC3(CC3)CC2=C1	REAL300020044675	0	39	-1.0	-51.79	334.04	3.00	-48.79
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044676	0	40	-1.0	-50.98	335.78	0.03	-50.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=NC=C2)CC1	REAL300020044677	0	37	-1.0	-41.66	321.29	3.16	-38.50
COC12CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CC1)C2	REAL300020044678	0	42	-1.0	-42.38	337.37	2.35	-40.03
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020044679	0	53	-1.0	-50.09	419.12	6.58	-43.51
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044680	0	36	-1.0	-49.18	319.30	0.63	-48.55
COC1CC(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044681	0	41	-1.0	-44.06	340.76	2.55	-41.51
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044682	0	37	-1.0	-45.38	331.97	3.13	-42.25
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N2C=CC=CC2=N1	REAL300020044683	0	37	-1.0	-45.23	324.72	3.89	-41.34
CC(C)CC1=NC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020044684	0	41	-1.0	-46.83	347.50	3.10	-43.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC3CC(CC(C3)O1)C2	REAL300020044685	0	43	-1.0	-41.30	331.36	3.00	-38.30
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CS2)CCOCC1	REAL300020044686	0	42	-1.0	-40.33	345.70	3.42	-36.91
CC1=CC=C(C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2CC2)C=C1	REAL300020044687	0	44	-1.0	-41.64	362.90	6.56	-35.08
CN1C=C(Br)C(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020044688	0	35	-1.0	-47.94	333.67	0.60	-47.34
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)CC2	REAL300020044689	0	53	0.0	-75.34	401.51	6.15	-69.19
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN2C=CC=NC2=C1Cl	REAL300020044690	0	33	-1.0	-58.85	313.42	2.37	-56.48
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N2C=CC=CC2=N1	REAL300020044691	0	40	-1.0	-55.28	335.56	4.83	-50.45
CC1=CC(F)=CC=C1C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044692	0	41	-1.0	-41.78	347.08	5.43	-36.35
CC1=CC=C(F)C=C1C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044693	0	41	-1.0	-40.78	350.03	5.49	-35.29
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020044694	0	40	-1.0	-44.31	355.78	5.58	-38.73
COC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CN=C2C=C1	REAL300020044695	0	40	-1.0	-54.80	345.79	2.56	-52.24
CC1=C2NC=NC2=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044696	0	37	-1.0	-54.49	319.99	3.32	-51.17
CCC1=C(C)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL300020044697	0	36	-1.0	-47.37	311.98	2.56	-44.81
CC(C)CCCOCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044698	0	43	-1.0	-43.69	353.93	3.86	-39.83
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@H]12	REAL300020044699	0	49	-1.0	-53.85	401.55	2.54	-51.31
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)C	REAL300020044700	0	43	-1.0	-47.46	354.21	3.97	-43.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CC2(CCC2)C1	REAL300020044701	0	38	-1.0	-46.69	319.32	3.93	-42.76
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCNC1=O	REAL300020044702	0	38	-1.0	-47.39	299.15	0.30	-47.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC=C1C1CCC1	REAL300020044703	0	38	-1.0	-52.86	320.25	2.18	-50.68
CC1CC(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(C)O1	REAL300020044704	0	44	-1.0	-51.69	344.46	2.75	-48.94
COCCN1C=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300020044705	0	41	-1.0	-57.36	348.41	2.67	-54.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300020044706	0	39	-1.0	-61.83	327.72	2.68	-59.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300020044707	0	34	-1.0	-55.31	332.71	2.71	-52.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12COC[C@H]1C2(F)F	REAL300020044709	0	33	-1.0	-41.64	295.28	0.84	-40.80
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044710	0	37	-1.0	-47.64	327.98	4.26	-43.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN(C2CCC2)C1=O	REAL300020044711	0	41	-1.0	-52.76	339.11	4.01	-48.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020044712	0	36	-1.0	-50.63	336.40	3.49	-47.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020044713	0	34	-1.0	-39.80	317.96	3.90	-35.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020044714	0	34	-1.0	-49.44	316.92	3.86	-45.58
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044715	0	40	-1.0	-46.97	338.39	4.78	-42.19
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044716	0	42	-1.0	-53.76	360.58	4.11	-49.65
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044717	0	42	-1.0	-48.58	347.83	2.58	-46.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=C2C=CSC2=C1	REAL300020044718	0	33	-1.0	-51.22	306.81	2.75	-48.47
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020044719	0	33	-1.0	-48.72	323.72	3.01	-45.71
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044720	0	37	-1.0	-68.79	323.68	1.92	-66.87
COC1=C2NC=C(CC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C2=CC=C1	REAL300020044721	0	42	-1.0	-57.13	358.74	3.07	-54.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020044722	0	35	-1.0	-49.97	329.67	3.55	-46.42
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1	REAL300020044723	0	43	-1.0	-47.37	369.10	4.86	-42.51
COCC(C)(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044724	0	38	-1.0	-42.91	314.07	-0.43	-43.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(COCC2)N=C1Cl	REAL300020044725	0	38	-1.0	-55.11	334.62	1.75	-53.36
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044726	0	40	-1.0	-65.50	350.71	-0.33	-65.83
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC2=C1CCCC2	REAL300020044727	0	42	-1.0	-52.03	341.31	3.91	-48.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(CC2CCC2)=CN1	REAL300020044728	0	42	-1.0	-53.43	351.60	4.38	-49.05
COC(=O)C1=CSC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044729	0	37	-1.0	-55.97	343.73	3.53	-52.44
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300020044730	0	40	-1.0	-50.73	356.94	4.42	-46.31
CCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CS1	REAL300020044731	0	34	-1.0	-49.85	302.67	3.52	-46.33
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044732	0	40	0.0	-69.30	322.89	3.19	-66.11
CCCCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300020044733	0	39	-1.0	-48.19	338.31	1.79	-46.40
C[C@H]1C(=O)N(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[C@H]1C	REAL300020044734	0	40	-1.0	-48.82	338.65	1.82	-47.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CNC(=O)C2)CC1	REAL300020044735	0	45	-1.0	-49.24	354.36	1.15	-48.09
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1(C)C	REAL300020044736	0	40	-1.0	-56.63	332.98	3.54	-53.09
COC(=O)C1=C2CCCCC2=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300020044737	0	44	-1.0	-48.07	376.85	5.23	-42.84
CCC1=NOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044738	0	35	-1.0	-60.87	303.65	2.17	-58.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(C2CCOCC2)=NO1	REAL300020044739	0	43	-1.0	-61.57	356.35	2.23	-59.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(CC2=CC=CC=C2)=NO1	REAL300020044740	0	42	-1.0	-62.82	363.26	5.15	-57.67
CC1=NOC2(CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C2)C1	REAL300020044741	0	39	-1.0	-50.49	323.02	2.14	-48.35
CCCC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1C	REAL300020044742	0	40	-1.0	-52.09	341.44	2.86	-49.23
CCCC1=NN(C)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044743	0	40	-1.0	-50.68	336.44	3.07	-47.61
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044744	0	46	0.0	-58.70	345.39	4.17	-54.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2CCCCC2=NNC1=O	REAL300020044745	0	40	-1.0	-44.38	327.97	1.31	-43.07
CC(C)CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL300020044746	0	39	-1.0	-47.06	333.65	3.20	-43.86
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044747	0	37	-1.0	-47.05	322.56	3.36	-43.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C(C2CCOCC2)S1	REAL300020044748	0	41	-1.0	-50.90	356.15	1.79	-49.11
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020044749	0	36	-1.0	-47.14	322.68	1.60	-45.54
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN21	REAL300020044750	0	38	0.0	-67.60	324.76	4.75	-62.85
CC1=NC=C2C=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN21	REAL300020044750	1	37	-1.0	-52.14	321.34	4.30	-47.84
CC1=CN2CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CCC2=N1	REAL300020044751	0	41	-1.0	-53.17	339.07	3.77	-49.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C2COCCC2=C1	REAL300020044752	0	38	-1.0	-50.57	321.92	1.30	-49.27
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044753	0	39	-1.0	-49.69	334.83	5.09	-44.60
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1CC(F)(F)F	REAL300020044754	0	37	-1.0	-52.72	336.23	2.56	-50.16
CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC(Cl)=C21	REAL300020044755	0	38	-1.0	-56.87	338.79	5.05	-51.82
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044756	0	40	-1.0	-46.70	350.20	4.76	-41.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)C1CCOCC1	REAL300020044757	0	38	-1.0	-52.37	312.34	1.61	-50.76
CCC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020044758	0	36	-1.0	-50.12	312.86	2.76	-47.36
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC(N2C=CC=N2)=N1	REAL300020044759	0	36	-1.0	-47.98	325.46	1.73	-46.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=CC2=CN=CC=C21	REAL300020044760	0	36	-1.0	-51.72	315.75	3.61	-48.11
CN1N=NC=C1C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020044761	0	40	-1.0	-56.93	342.30	2.81	-54.12
CC(C)(CCC#N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044762	0	37	-1.0	-48.51	311.12	2.97	-45.54
CC(=O)NC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300020044763	0	41	-1.0	-51.76	345.48	3.55	-48.21
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044764	0	49	-1.0	-53.25	392.95	3.87	-49.38
CC(C)(F)C(C)(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044765	0	36	-1.0	-40.50	300.20	2.60	-37.90
CC1=C(F)C=CC=C1C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020044766	0	41	-1.0	-43.30	345.57	5.36	-37.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CS2)CCCC1	REAL300020044767	0	41	-1.0	-40.05	340.16	5.25	-34.80
CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050202	0	39	-1.0	-70.07	319.71	0.40	-69.67
CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050202	1	39	-1.0	-70.07	319.78	0.39	-69.68
O=C(NC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050203	0	46	-1.0	-53.08	378.09	4.75	-48.33
O=C(NC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050203	1	46	-1.0	-53.09	378.15	4.74	-48.35
O=C(NC1=CC=CC=C1CN1CCSCC1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050204	0	48	-1.0	-54.61	381.40	4.36	-50.25
O=C(NC1=CC=CC=C1CN1CCSCC1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050204	1	48	-1.0	-54.61	381.46	4.36	-50.25
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050204	1	49	0.0	-78.04	381.06	6.75	-71.29
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050204	1	49	0.0	-78.02	381.12	6.74	-71.28
CC(C)OC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(F)=C1	REAL300020050205	0	42	-1.0	-47.94	341.85	3.72	-44.22
CC(C)OC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(F)=C1	REAL300020050205	1	42	-1.0	-47.95	341.91	3.71	-44.24
CC(C)C1=NC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2S1	REAL300020050206	0	43	-1.0	-54.24	362.55	4.25	-49.99
CC(C)C1=NC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2S1	REAL300020050206	1	43	-1.0	-54.24	362.61	4.24	-50.00
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050207	0	52	0.0	-77.38	408.06	7.08	-70.30
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050207	1	52	0.0	-77.43	408.13	7.08	-70.35
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050208	0	52	-1.0	-52.00	401.30	6.31	-45.69
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050208	1	52	-1.0	-52.02	401.36	6.31	-45.71
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050209	0	50	-1.0	-73.65	391.00	3.15	-70.50
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050209	1	50	-1.0	-73.63	391.06	3.15	-70.48
COC(=O)CCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050210	0	45	-1.0	-53.67	373.52	3.77	-49.90
COC(=O)CCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050210	1	45	-1.0	-53.68	373.58	3.76	-49.92
O=C(NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050211	0	43	-1.0	-52.80	372.62	6.08	-46.72
O=C(NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050211	1	43	-1.0	-52.81	372.68	6.08	-46.73
CC1=C(Cl)C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Cl	REAL300020050212	0	35	-1.0	-48.72	315.89	4.29	-44.43
CC1=C(Cl)C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300020050212	1	35	-1.0	-48.72	315.96	4.28	-44.44
CCOCCOC1=C(Cl)C=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050213	0	46	-1.0	-48.92	392.54	3.98	-44.94
CCOCCOC1=C(Cl)C=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050213	1	46	-1.0	-48.91	392.61	3.97	-44.94
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050214	0	52	-1.0	-51.12	404.72	7.93	-43.19
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050214	1	52	-1.0	-51.15	404.79	7.93	-43.22
CC1CCCC(OCC2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)C1	REAL300020050215	0	55	-1.0	-52.73	424.29	6.84	-45.89
CC1CCCC(OCC2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)C1	REAL300020050215	1	55	-1.0	-52.72	424.36	6.84	-45.88
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050216	0	49	-1.0	-52.14	379.89	4.57	-47.57
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050216	1	49	-1.0	-52.15	379.95	4.57	-47.58
COCCOC1=C(Cl)C=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050217	0	43	-1.0	-48.87	370.69	3.01	-45.86
COCCOC1=C(Cl)C=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050217	1	43	-1.0	-48.84	370.75	3.01	-45.83
O=C(NC1=CC=CC(COC2CCCCC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050218	0	52	-1.0	-52.89	405.51	6.08	-46.81
O=C(NC1=CC=CC(COC2CCCCC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050218	1	52	-1.0	-52.90	405.58	6.07	-46.83
CCOC(=O)C1=C(C)C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050219	0	41	-1.0	-50.37	350.21	4.05	-46.32
CCOC(=O)C1=C(C)C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050219	1	41	-1.0	-50.37	350.28	4.04	-46.33
O=C(NC1=CC=CN=C1N1C=NC=N1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050220	0	37	-1.0	-50.32	312.35	5.18	-45.14
O=C(NC1=CC=CN=C1N1C=NC=N1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050220	1	37	-1.0	-50.33	312.29	5.19	-45.14
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050221	0	37	-1.0	-46.78	330.03	0.77	-46.01
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050221	1	37	-1.0	-46.78	329.96	0.78	-46.00
O=C(NC1=CC=CC(CN2CCCCC2=O)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050222	0	49	-1.0	-66.05	386.87	5.10	-60.95
O=C(NC1=CC=CC(CN2CCCCC2=O)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050222	1	49	-1.0	-66.04	386.93	5.09	-60.95
CCC(C)SC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=C1	REAL300020050223	0	48	-1.0	-51.70	381.55	6.65	-45.05
CCC(C)SC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=C1	REAL300020050223	1	48	-1.0	-51.70	381.61	6.65	-45.05
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050224	0	45	-1.0	-53.38	356.78	1.64	-51.74
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050224	1	45	-1.0	-53.39	356.85	1.63	-51.76
CS(=O)(=O)CC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050225	0	41	-1.0	-64.06	351.73	0.92	-63.14
CS(=O)(=O)CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050225	1	41	-1.0	-64.11	351.80	0.91	-63.20
CC(C)CCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050226	0	47	-1.0	-50.86	370.14	6.21	-44.65
CC(C)CCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050226	1	47	-1.0	-50.87	370.21	6.20	-44.67
CC1=CC(C(=O)N2CCCCC2C)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050227	0	55	-1.0	-51.64	413.74	6.13	-45.51
CC1=CC(C(=O)N2CCCCC2C)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050227	1	55	-1.0	-51.65	413.80	6.13	-45.52
O=C(NC1=CC=C2OCCC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050228	0	37	-1.0	-51.86	302.36	2.58	-49.28
O=C(NC1=CC=C2OCCC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050228	1	37	-1.0	-51.83	302.42	2.57	-49.26
COCCN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC1=O	REAL300020050229	0	42	-1.0	-53.84	348.80	1.56	-52.28
COCCN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC1=O	REAL300020050229	1	42	-1.0	-53.84	348.87	1.55	-52.29
CSC1=NN=NN1C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050230	0	41	-1.0	-64.67	356.70	3.13	-61.54
CSC1=NN=NN1C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050230	1	41	-1.0	-64.64	356.64	3.13	-61.51
CCN1CCN(C(=O)C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)CC1	REAL300020050231	0	54	-1.0	-58.60	414.11	2.89	-55.71
CCN1CCN(C(=O)C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)CC1	REAL300020050231	1	54	-1.0	-58.60	414.17	2.89	-55.71
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)CC1	REAL300020050231	1	55	0.0	-75.87	417.50	5.11	-70.76
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)CC1	REAL300020050231	1	55	0.0	-75.86	417.57	5.10	-70.76
CC1=CC(C(N)=O)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050232	0	39	-1.0	-51.41	318.60	0.36	-51.05
CC1=CC(C(N)=O)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050232	1	39	-1.0	-51.40	318.67	0.35	-51.05
CC1=CC=NN1C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050233	0	42	-1.0	-52.34	343.64	4.36	-47.98
CC1=CC=NN1C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050233	1	42	-1.0	-52.33	343.71	4.35	-47.98
CN(CC1=CC=CC=C1)C1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050234	0	50	-1.0	-51.41	397.11	6.25	-45.16
CN(CC1=CC=CC=C1)C1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050234	1	50	-1.0	-51.43	397.18	6.24	-45.19
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050235	0	51	-1.0	-50.91	402.40	4.20	-46.71
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050235	1	51	-1.0	-50.89	402.46	4.20	-46.69
CCN1N=CC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050236	0	41	-1.0	-52.78	338.00	3.56	-49.22
CCN1N=CC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050236	1	41	-1.0	-52.75	337.94	3.57	-49.18
COCCN1N=CC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050237	0	45	-1.0	-56.84	371.68	2.61	-54.23
COCCN1N=CC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050237	1	45	-1.0	-56.85	371.61	2.62	-54.23
CC(C)N1N=CC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050238	0	44	-1.0	-55.35	357.67	4.24	-51.11
CC(C)N1N=CC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050238	1	44	-1.0	-55.33	357.61	4.24	-51.09
COC(=O)C1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)SC(C)=C1C	REAL300020050239	0	41	-1.0	-48.49	352.75	3.94	-44.55
COC(=O)C1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)SC(C)=C1C	REAL300020050239	1	41	-1.0	-48.44	352.81	3.93	-44.51
CC(=O)N(C)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050240	0	42	-1.0	-55.42	345.31	3.36	-52.06
CC(=O)N(C)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050240	1	42	-1.0	-55.42	345.38	3.36	-52.06
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050241	0	44	-1.0	-51.21	350.68	3.32	-47.89
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050241	1	44	-1.0	-51.26	350.74	3.31	-47.95
COC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=C1	REAL300020050242	0	41	-1.0	-51.59	338.87	4.22	-47.37
COC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=C1	REAL300020050242	1	41	-1.0	-51.63	338.94	4.22	-47.41
CC(C)C1=NOC(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)=N1	REAL300020050243	0	46	-1.0	-53.91	381.17	3.15	-50.76
CC(C)C1=NOC(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)=N1	REAL300020050243	1	46	-1.0	-53.91	381.11	3.16	-50.75
CS(=O)(=O)CCOC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050244	0	45	-1.0	-63.05	381.68	0.49	-62.56
CS(=O)(=O)CCOC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050244	1	45	-1.0	-63.11	381.75	0.48	-62.63
O=C(NC1=CC=C2N=CSC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050245	0	34	-1.0	-53.91	298.38	2.16	-51.75
O=C(NC1=CC=C2N=CSC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050245	1	34	-1.0	-53.90	298.31	2.17	-51.73
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)NC1(C2=NN=N[N-]2)CCC1	REAL300020050246	0	37	-1.0	-52.30	320.19	3.81	-48.49
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)NC1(C2=N[N-]N=N2)CCC1	REAL300020050246	1	37	-1.0	-52.28	320.13	3.82	-48.46
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050247	0	42	-1.0	-52.97	349.95	5.34	-47.63
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050247	1	42	-1.0	-52.97	349.88	5.34	-47.63
CCC(=O)NC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050248	0	42	-1.0	-56.21	343.17	2.44	-53.77
CCC(=O)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050248	1	42	-1.0	-56.20	343.24	2.43	-53.77
CC(C)OCCOCC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050249	0	52	-1.0	-55.00	419.38	4.38	-50.62
CC(C)OCCOCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050249	1	52	-1.0	-55.02	419.45	4.37	-50.65
O=C(NC1=NC2=C(CCCCC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050250	0	41	-1.0	-58.27	334.06	4.46	-53.81
O=C(NC1=NC2=C(CCCCC2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050250	1	41	-1.0	-58.33	334.12	4.45	-53.88
COC1=CC(C)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050251	0	39	-1.0	-52.16	316.66	2.80	-49.36
COC1=CC(C)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050251	1	39	-1.0	-52.16	316.72	2.79	-49.37
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050252	0	45	-1.0	-55.15	386.75	4.84	-50.31
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050252	1	45	-1.0	-55.12	386.82	4.83	-50.29
CCOC1=CC2=C(C=C1NC(=O)NC1(C3=N[N-]N=N3)CCC1)OC(C)C2	REAL300020050253	0	47	-1.0	-57.26	373.31	3.67	-53.59
CCOC1=CC2=C(C=C1NC(=O)NC1(C3=NN=N[N-]3)CCC1)OC(C)C2	REAL300020050253	1	47	-1.0	-57.25	373.38	3.66	-53.59
CCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1OC	REAL300020050254	0	43	-1.0	-53.32	347.31	2.82	-50.50
CCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1OC	REAL300020050254	1	43	-1.0	-53.37	347.37	2.82	-50.55
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050255	0	48	-1.0	-51.15	373.46	6.26	-44.89
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050255	1	48	-1.0	-51.20	373.53	6.26	-44.94
CC1=CSC(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)=N1	REAL300020050256	0	41	-1.0	-51.46	352.97	4.19	-47.27
CC1=CSC(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)=N1	REAL300020050256	1	41	-1.0	-51.46	352.90	4.19	-47.27
COC1=C(Cl)C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Cl	REAL300020050257	0	36	-1.0	-49.86	331.91	3.25	-46.61
COC1=C(Cl)C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300020050257	1	36	-1.0	-49.89	331.98	3.24	-46.65
CC(C)CN1C=CC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C21	REAL300020050258	0	48	-1.0	-57.62	376.00	6.38	-51.24
CC(C)CN1C=CC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C21	REAL300020050258	1	48	-1.0	-57.66	376.07	6.38	-51.28
CC1=NN(C2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)C=C1	REAL300020050259	0	42	-1.0	-63.97	346.70	4.52	-59.45
CC1=NN(C2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)C=C1	REAL300020050259	1	42	-1.0	-63.97	346.77	4.51	-59.46
CN(C)C(=O)CN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050260	0	42	-1.0	-61.70	345.23	1.98	-59.72
CN(C)C(=O)CN1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050260	1	42	-1.0	-61.68	345.17	1.99	-59.69
COCCN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050261	0	39	-1.0	-51.44	323.73	1.39	-50.05
COCCN1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050261	1	39	-1.0	-51.43	323.66	1.39	-50.04
O=C(NC1=CC=CC(C(F)F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050262	0	35	-1.0	-55.04	298.60	3.61	-51.43
O=C(NC1=CC=CC(C(F)F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050262	1	35	-1.0	-55.05	298.66	3.60	-51.45
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CC1=CC=CC=C1C1=NOC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050264	0	41	-1.0	-58.31	338.82	5.09	-53.22
CC1=CC=CC=C1C1=NOC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050264	1	41	-1.0	-58.32	338.89	5.08	-53.24
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CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050264	1	40	-2.0	-115.80	335.64	3.29	-112.51
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O=C(NC1=CC=CC(C2=CC=CS2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050265	1	39	-1.0	-55.59	333.84	5.35	-50.24
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CSC1=CC2=C(C=C1NC(=O)NC1(C3=N[N-]N=N3)CCC1)OCCO2	REAL300020050268	0	42	-1.0	-55.34	348.28	2.99	-52.35
CSC1=CC2=C(C=C1NC(=O)NC1(C3=NN=N[N-]3)CCC1)OCCO2	REAL300020050268	1	42	-1.0	-55.31	348.34	2.98	-52.33
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050269	0	44	-1.0	-56.80	376.75	5.22	-51.58
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050269	1	44	-1.0	-56.80	376.69	5.22	-51.58
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COC1=CC=C(Br)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050272	1	36	-1.0	-52.02	314.16	2.76	-49.26
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CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1N1CCSCC1	REAL300020050280	0	48	-1.0	-50.73	385.31	5.23	-45.50
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CN1C=CC2=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=CC=C21	REAL300020050282	0	39	-1.0	-55.16	319.70	4.49	-50.67
CN1C=CC2=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=CC=C21	REAL300020050282	1	39	-1.0	-55.16	319.76	4.49	-50.67
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CC1=C(Br)C=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050284	1	35	-1.0	-48.27	302.39	4.09	-44.18
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1OCC(F)F	REAL300020050285	0	42	-1.0	-54.47	350.84	4.04	-50.43
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1OCC(F)F	REAL300020050285	1	42	-1.0	-54.49	350.90	4.03	-50.46
COC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C2SC(C)=NC2=C1	REAL300020050286	0	41	-1.0	-53.75	348.29	2.24	-51.51
COC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C2SC(C)=NC2=C1	REAL300020050286	1	41	-1.0	-53.74	348.35	2.23	-51.51
CC(C)(C)SC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050287	0	45	-1.0	-52.17	356.64	5.39	-46.78
CC(C)(C)SC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050287	1	45	-1.0	-52.17	356.71	5.39	-46.78
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1N1N=NN=C1C	REAL300020050288	0	44	-1.0	-51.68	365.17	2.25	-49.43
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1N1N=NN=C1C	REAL300020050288	1	44	-1.0	-51.68	365.24	2.25	-49.43
CC1=CSC(C2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)=N1	REAL300020050289	0	41	-1.0	-54.51	352.75	4.20	-50.31
CC1=CSC(C2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)=N1	REAL300020050289	1	41	-1.0	-54.51	352.69	4.20	-50.31
O=C(NC1=CC=C(N2CCSCC2)C(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050290	0	45	-1.0	-51.49	381.07	4.87	-46.62
O=C(NC1=CC=C(N2CCSCC2)C(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050290	1	45	-1.0	-51.55	381.14	4.86	-46.69
O=C(NC1=CC(Cl)=CC=C1N1CCSCC1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050291	0	45	-1.0	-49.63	380.24	4.98	-44.65
O=C(NC1=CC(Cl)=CC=C1N1CCSCC1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050291	1	45	-1.0	-49.66	380.30	4.98	-44.68
COC1=NC=C(Br)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050292	0	35	-1.0	-48.41	313.47	0.15	-48.26
COC1=NC=C(Br)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050292	1	35	-1.0	-48.41	313.40	0.16	-48.25
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050293	0	42	-1.0	-52.48	361.06	3.08	-49.40
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050293	1	42	-1.0	-52.50	361.12	3.08	-49.42
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050294	0	48	-1.0	-51.77	382.45	4.69	-47.08
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050294	1	48	-1.0	-51.77	382.51	4.69	-47.08
CC(C)(C)OC(=O)N1CCC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C21	REAL300020050295	0	53	-1.0	-52.85	413.11	5.63	-47.22
CC(C)(C)OC(=O)N1CCC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C21	REAL300020050295	1	53	-1.0	-52.84	413.17	5.62	-47.22
O=C(NC1=CC=CC(NC(=O)C2=COC=C2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050296	0	43	-1.0	-58.41	361.60	2.74	-55.67
O=C(NC1=CC=CC(NC(=O)C2=COC=C2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050296	1	43	-1.0	-58.36	361.67	2.74	-55.62
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC=C1C(=O)N1CCCC1	REAL300020050297	0	49	-1.0	-52.38	381.11	4.72	-47.66
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC=C1C(=O)N1CCCC1	REAL300020050297	1	49	-1.0	-52.37	381.17	4.71	-47.66
CCOCC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050298	0	42	-1.0	-52.72	343.63	3.40	-49.32
CCOCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050298	1	42	-1.0	-52.72	343.70	3.39	-49.33
CCOCCOC1=CC=C(Cl)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050299	0	46	-1.0	-54.88	388.49	3.80	-51.08
CCOCCOC1=CC=C(Cl)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050299	1	46	-1.0	-54.84	388.56	3.79	-51.05
COC1=NC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2C=C1	REAL300020050300	0	41	-1.0	-56.47	339.83	1.61	-54.86
COC1=NC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2C=C1	REAL300020050300	1	41	-1.0	-56.45	339.76	1.62	-54.83
CN1C(=O)OC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C21	REAL300020050301	0	38	-1.0	-60.20	320.91	2.66	-57.54
CN1C(=O)OC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C21	REAL300020050301	1	38	-1.0	-60.18	320.97	2.66	-57.52
CC1=NN=NN1C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1F	REAL300020050302	0	40	-1.0	-55.01	342.45	2.93	-52.08
CC1=NN=NN1C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1F	REAL300020050302	1	40	-1.0	-55.01	342.51	2.92	-52.09
COCCOC1=CC=C(F)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050303	0	43	-1.0	-56.01	356.31	2.38	-53.63
COCCOC1=CC=C(F)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050303	1	43	-1.0	-56.04	356.38	2.38	-53.66
N#CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1F	REAL300020050304	0	33	-1.0	-54.40	293.18	3.16	-51.24
N#CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1F	REAL300020050304	1	33	-1.0	-54.39	293.25	3.15	-51.24
COC1=CC=C(SC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)C=C1	REAL300020050305	0	47	-1.0	-52.83	396.50	6.13	-46.70
COC1=CC=C(SC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)C=C1	REAL300020050305	1	47	-1.0	-52.83	396.57	6.12	-46.71
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CC1=CC(OC(C)C2=CC=CC=C2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050307	0	52	-1.0	-53.39	413.25	7.52	-45.87
CC1=CC(OC(C)C2=CC=CC=C2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050307	1	52	-1.0	-53.41	413.31	7.52	-45.89
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050308	0	45	-1.0	-53.87	360.51	1.86	-52.01
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050308	1	45	-1.0	-53.87	360.57	1.86	-52.01
O=C(NC1=CC(C(F)(F)F)=CC=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050309	0	35	-1.0	-49.90	310.25	3.82	-46.08
O=C(NC1=CC(C(F)(F)F)=CC=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050309	1	35	-1.0	-49.92	310.32	3.81	-46.11
N#CC1=CC=C(OC(F)F)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050310	0	37	-1.0	-53.73	324.97	2.82	-50.91
N#CC1=CC=C(OC(F)F)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050310	1	37	-1.0	-53.77	325.04	2.81	-50.96
COC(=O)NC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1F	REAL300020050311	0	40	-1.0	-49.67	339.30	1.04	-48.63
COC(=O)NC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1F	REAL300020050311	1	40	-1.0	-49.62	339.36	1.03	-48.59
CSCCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050312	0	42	-1.0	-51.42	354.32	5.38	-46.04
CSCCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050312	1	42	-1.0	-51.45	354.38	5.38	-46.07
CC(C)(C)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NO1	REAL300020050313	0	40	-1.0	-47.99	323.97	3.84	-44.15
CC(C)(C)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NO1	REAL300020050313	1	40	-1.0	-48.02	323.90	3.85	-44.17
NC(=O)CCSC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050314	0	43	-1.0	-55.72	363.79	1.62	-54.10
NC(=O)CCSC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050314	1	43	-1.0	-55.74	363.86	1.61	-54.13
CCOC1=CC=C(Br)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050315	0	39	-1.0	-51.49	337.58	3.68	-47.81
CCOC1=CC=C(Br)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050315	1	39	-1.0	-51.46	337.64	3.67	-47.79
CC(C)OC(=O)C1=CC=C(Cl)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050316	0	44	-1.0	-56.84	377.37	5.62	-51.22
CC(C)OC(=O)C1=CC=C(Cl)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050316	1	44	-1.0	-56.84	377.44	5.61	-51.23
CC1=CC(OCC2=CC=CC(F)=C2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050317	0	49	-1.0	-53.37	401.92	6.92	-46.45
CC1=CC(OCC2=CC=CC(F)=C2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050317	1	49	-1.0	-53.40	401.98	6.91	-46.49
C=C(C)COC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050318	0	43	-1.0	-56.82	350.09	4.37	-52.45
C=C(C)COC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050318	1	43	-1.0	-56.81	350.15	4.36	-52.45
O=C(NC1=CC=C(F)C=C1C(F)(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050319	0	35	-1.0	-44.10	306.78	4.04	-40.06
O=C(NC1=CC=C(F)C=C1C(F)(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050319	1	35	-1.0	-44.13	306.85	4.04	-40.09
O=C(NC1=CC(F)=CC=C1Cl)NC1(C2=N[N-]N=N2)CCC1	REAL300020050320	0	32	-1.0	-49.57	286.92	3.41	-46.16
O=C(NC1=CC(F)=CC=C1Cl)NC1(C2=NN=N[N-]2)CCC1	REAL300020050320	1	32	-1.0	-49.55	286.98	3.41	-46.14
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC=C1OCC(F)(F)F	REAL300020050321	0	42	-1.0	-50.98	353.79	4.34	-46.64
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC=C1OCC(F)(F)F	REAL300020050321	1	42	-1.0	-50.96	353.86	4.34	-46.62
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C(N)=O	REAL300020050322	0	39	-1.0	-49.95	317.39	0.18	-49.77
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C(N)=O	REAL300020050322	1	39	-1.0	-50.00	317.45	0.17	-49.83
O=C(NC1=CC=CC(S(=O)(=O)C(F)F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050323	0	38	-1.0	-61.21	340.30	0.67	-60.54
O=C(NC1=CC=CC(S(=O)(=O)C(F)F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050323	1	38	-1.0	-61.24	340.36	0.66	-60.58
CSCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050324	0	39	-1.0	-51.37	332.82	4.59	-46.78
CSCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050324	1	39	-1.0	-51.37	332.88	4.58	-46.79
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=C1	REAL300020050325	0	39	-1.0	-52.47	313.74	2.87	-49.60
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=C1	REAL300020050325	1	39	-1.0	-52.52	313.80	2.86	-49.66
O=C(NC1=CC=CC(SC(F)F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050326	0	36	-1.0	-53.93	316.23	4.01	-49.92
O=C(NC1=CC=CC(SC(F)F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050326	1	36	-1.0	-54.00	316.30	4.00	-50.00
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050327	0	43	-1.0	-52.20	360.29	5.77	-46.43
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050327	1	43	-1.0	-52.24	360.35	5.76	-46.48
NC(=O)CCNC(=O)C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050328	0	46	-1.0	-76.63	382.06	-1.35	-77.98
NC(=O)CCNC(=O)C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050328	1	46	-1.0	-76.67	382.13	-1.36	-78.03
O=C(NC1=CN=C(C2CC2)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050329	0	37	-1.0	-52.46	308.51	2.40	-50.06
O=C(NC1=CN=C(C2CC2)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050329	1	37	-1.0	-52.49	308.58	2.39	-50.10
CN1C=CN=C1C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050330	0	42	-1.0	-66.77	341.85	4.59	-62.18
CN1C=CN=C1C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050330	1	42	-1.0	-66.80	341.91	4.58	-62.22
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050331	0	41	-1.0	-57.20	355.60	4.43	-52.77
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050331	1	41	-1.0	-57.19	355.53	4.44	-52.75
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050332	0	34	-1.0	-52.25	307.06	3.79	-48.46
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050332	1	34	-1.0	-52.30	307.12	3.78	-48.52
O=C(NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050333	0	44	-1.0	-69.39	363.24	5.99	-63.40
O=C(NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050333	1	44	-1.0	-69.41	363.30	5.99	-63.42
CC1=NC2=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=CC=C2C=C1	REAL300020050334	0	40	-1.0	-54.52	327.75	3.89	-50.63
CC1=NC2=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=CC=C2C=C1	REAL300020050334	1	40	-1.0	-54.54	327.81	3.88	-50.66
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050335	0	46	-1.0	-53.45	377.97	5.98	-47.47
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050335	1	46	-1.0	-53.47	378.04	5.98	-47.49
CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C	REAL300020050336	0	49	-1.0	-55.50	398.61	2.13	-53.37
CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL300020050336	1	49	-1.0	-55.52	398.68	2.12	-53.40
CC(C)N(C)C(=O)C1=CC=C(Cl)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050337	0	48	-1.0	-63.33	392.24	4.73	-58.60
CC(C)N(C)C(=O)C1=CC=C(Cl)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050337	1	48	-1.0	-63.26	392.30	4.72	-58.54
O=C(NC1=C(C2=CC=CS2)N=C2C=CC=CN21)NC1(C2=NN=N[N-]2)CCC1	REAL300020050338	0	42	-1.0	-53.22	357.77	6.73	-46.49
O=C(NC1=C(C2=CC=CS2)N=C2C=CC=CN21)NC1(C2=N[N-]N=N2)CCC1	REAL300020050338	1	42	-1.0	-53.21	357.70	6.74	-46.47
CC(C)N(C)C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050339	0	46	-1.0	-52.05	355.83	4.57	-47.48
CC(C)N(C)C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050339	1	46	-1.0	-52.02	355.89	4.57	-47.45
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050340	0	42	-1.0	-54.67	349.97	5.97	-48.70
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050340	1	42	-1.0	-54.69	350.03	5.97	-48.72
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050341	0	46	-1.0	-53.83	372.95	6.40	-47.43
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050341	1	46	-1.0	-53.83	373.02	6.39	-47.44
O=C(NC1=CC=CC(C(=O)OCC2=CC=CC=C2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050342	0	48	-1.0	-60.73	403.28	7.34	-53.39
O=C(NC1=CC=CC(C(=O)OCC2=CC=CC=C2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050342	1	48	-1.0	-60.75	403.34	7.33	-53.42
O=C(NC1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)NC1(C2=NN=N[N-]2)CCC1	REAL300020050343	0	37	-1.0	-43.87	337.94	2.37	-41.50
O=C(NC1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)NC1(C2=N[N-]N=N2)CCC1	REAL300020050343	1	37	-1.0	-43.86	337.88	2.38	-41.48
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)NC1(C2=N[N-]N=N2)CCC1	REAL300020050343	1	36	-2.0	-95.34	334.64	1.19	-94.15
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)NC1(C2=NN=N[N-]2)CCC1	REAL300020050343	1	36	-2.0	-95.39	334.71	1.18	-94.21
O=C(NC1=CC=C(F)C=C1C1=CC=C(Cl)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050344	0	42	-1.0	-47.86	366.66	7.38	-40.48
O=C(NC1=CC=C(F)C=C1C1=CC=C(Cl)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050344	1	42	-1.0	-47.88	366.73	7.37	-40.51
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050345	0	42	-1.0	-48.31	356.35	6.93	-41.38
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050345	1	42	-1.0	-48.30	356.41	6.92	-41.38
COC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C	REAL300020050346	0	41	-1.0	-51.82	337.49	3.90	-47.92
COC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C	REAL300020050346	1	41	-1.0	-51.84	337.56	3.89	-47.95
COC(=O)CSCC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050347	0	45	-1.0	-58.21	388.09	5.51	-52.70
COC(=O)CSCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050347	1	45	-1.0	-58.22	388.16	5.50	-52.72
CC1=NC(C2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)=NN1	REAL300020050348	0	41	-1.0	-62.01	343.83	3.43	-58.58
CC1=NC(C2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)=NN1	REAL300020050348	1	41	-1.0	-62.04	343.89	3.42	-58.62
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050349	0	53	-1.0	-53.51	402.69	6.10	-47.41
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050349	1	53	-1.0	-53.52	402.63	6.11	-47.41
NC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050350	0	36	-1.0	-63.12	305.37	-0.40	-63.52
NC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300020050350	1	36	-1.0	-63.15	305.43	-0.40	-63.55
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N(CC2CC2)N=C1	REAL300020050351	0	42	-1.0	-50.11	342.35	4.18	-45.93
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N(CC2CC2)N=C1	REAL300020050351	1	42	-1.0	-50.13	342.28	4.19	-45.94
CC1=CC=CC(OC(F)F)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050352	0	39	-1.0	-54.18	329.43	3.31	-50.87
CC1=CC=CC(OC(F)F)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050352	1	39	-1.0	-54.20	329.50	3.30	-50.90
CC(C)(C)C1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050353	0	38	-2.0	-106.04	325.70	1.70	-104.34
CC(C)(C)C1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050353	1	38	-2.0	-106.01	325.77	1.69	-104.32
O=C(NC1=CC=C2NC(=O)CCCC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050354	0	43	-1.0	-54.36	342.24	2.83	-51.53
O=C(NC1=CC=C2NC(=O)CCCC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050354	1	43	-1.0	-54.37	342.31	2.83	-51.54
CC(C)(C1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1)C1=CC=CC=C1	REAL300020050355	0	45	-2.0	-122.61	378.57	4.34	-118.27
CC(C)(C1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1)C1=CC=CC=C1	REAL300020050355	1	45	-2.0	-122.61	378.63	4.33	-118.28
CC(C)(C)CC1=NC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2O1	REAL300020050356	0	49	-1.0	-51.47	388.47	3.09	-48.38
CC(C)(C)CC1=NC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2O1	REAL300020050356	1	49	-1.0	-51.52	388.54	3.09	-48.43
CC(C)(C)OC(=O)NC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1F	REAL300020050357	0	49	-1.0	-49.38	394.19	3.05	-46.33
CC(C)(C)OC(=O)NC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1F	REAL300020050357	1	49	-1.0	-49.36	394.25	3.04	-46.32
CC(C)(C)C1=NC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2O1	REAL300020050358	0	46	-1.0	-59.58	372.22	2.27	-57.31
CC(C)(C)C1=NC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2O1	REAL300020050358	1	46	-1.0	-59.56	372.16	2.28	-57.28
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050359	0	40	-1.0	-63.65	335.12	-0.53	-64.18
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050359	1	40	-1.0	-63.68	335.19	-0.53	-64.21
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050360	0	43	-1.0	-64.22	361.83	-0.19	-64.41
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050360	1	43	-1.0	-64.18	361.89	-0.20	-64.38
CCN1C=NN=C1C1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050361	0	44	-1.0	-60.78	359.85	6.29	-54.49
CCN1C=NN=C1C1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050361	1	44	-1.0	-60.75	359.91	6.29	-54.46
CCS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C	REAL300020050362	0	46	-1.0	-52.68	379.75	1.10	-51.58
CCS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C	REAL300020050362	1	46	-1.0	-52.70	379.82	1.09	-51.61
NS(=O)(=O)C1=CC(F)=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050363	0	37	-1.0	-58.95	327.26	-2.27	-61.22
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CCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1S(N)(=O)=O	REAL300020050368	1	43	-1.0	-60.38	352.20	-0.73	-61.11
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CC(C)S(=O)(=O)C1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050370	1	44	-1.0	-49.16	359.82	2.46	-46.70
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CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050375	1	54	0.0	-71.61	410.25	5.69	-65.92
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CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050377	0	48	-1.0	-54.45	373.62	3.64	-50.81
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050377	1	48	-1.0	-54.42	373.68	3.63	-50.79
O=C(NC1=CC=C(C2=NNC=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050378	0	39	-1.0	-54.30	325.62	2.74	-51.56
O=C(NC1=CC=C(C2=NNC=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050378	1	39	-1.0	-54.31	325.68	2.74	-51.57
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COC1=CC=CC=C1C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050380	0	46	-1.0	-57.98	374.91	5.76	-52.22
COC1=CC=CC=C1C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050380	1	46	-1.0	-58.00	374.98	5.76	-52.24
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1NS(C)(=O)=O	REAL300020050381	0	43	-1.0	-53.59	358.22	0.22	-53.37
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1NS(C)(=O)=O	REAL300020050381	1	43	-1.0	-53.61	358.28	0.21	-53.40
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CSCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050383	1	39	-1.0	-52.65	332.90	4.58	-48.07
CC1=CC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2N1	REAL300020050384	0	39	-1.0	-54.45	320.09	3.32	-51.13
CC1=CC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2N1	REAL300020050384	1	39	-1.0	-54.48	320.16	3.31	-51.17
CCCN1C=CC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C21	REAL300020050385	0	45	-1.0	-59.53	363.73	6.16	-53.37
CCCN1C=CC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C21	REAL300020050385	1	45	-1.0	-59.60	363.79	6.15	-53.45
CCOC(=O)CN1C=CC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C21	REAL300020050386	0	48	-1.0	-64.68	398.51	6.58	-58.10
CCOC(=O)CN1C=CC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C21	REAL300020050386	1	48	-1.0	-64.67	398.58	6.57	-58.10
COC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(OC(F)F)=C1	REAL300020050387	0	42	-1.0	-52.63	359.65	3.08	-49.55
COC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(OC(F)F)=C1	REAL300020050387	1	42	-1.0	-52.65	359.71	3.07	-49.58
CC(C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1)N1CCOCC1	REAL300020050388	0	51	-1.0	-51.87	392.08	2.65	-49.22
CC(C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1)N1CCOCC1	REAL300020050388	1	51	-1.0	-51.91	392.15	2.65	-49.26
CC(C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1)[NH+]1CCOCC1	REAL300020050388	1	52	0.0	-70.14	392.98	4.70	-65.44
CNC(=O)COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050389	0	43	-1.0	-62.36	356.72	1.54	-60.82
CNC(=O)COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050389	1	43	-1.0	-62.37	356.79	1.54	-60.83
CC(C)(C)OC(=O)NC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050390	0	49	-1.0	-53.26	388.59	2.97	-50.29
CC(C)(C)OC(=O)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050390	1	49	-1.0	-53.26	388.66	2.96	-50.30
COC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050391	0	38	-1.0	-51.02	321.41	3.37	-47.65
COC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050391	1	38	-1.0	-51.04	321.47	3.36	-47.68
COC1=CC(F)=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1OC	REAL300020050392	0	40	-1.0	-49.94	330.25	2.04	-47.90
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CC1=CC=CC(COC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C(C)=C2)=C1	REAL300020050394	1	52	-1.0	-53.82	416.97	7.51	-46.31
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COCC1=C2N=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=CC=C1	REAL300020050396	0	41	-1.0	-49.15	350.97	3.21	-45.94
COCC1=C2N=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=CC=C1	REAL300020050396	1	41	-1.0	-49.15	350.90	3.22	-45.93
COCC1=C2N=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=CC=C1	REAL300020050396	1	40	-2.0	-107.66	347.65	2.03	-105.63
COCC1=C2N=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=CC=C1	REAL300020050396	1	40	-2.0	-107.67	347.72	2.02	-105.65
N#CC1=CC=C(OC2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)C=C1	REAL300020050397	0	44	-1.0	-55.60	375.95	5.98	-49.62
N#CC1=CC=C(OC2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)C=C1	REAL300020050397	1	44	-1.0	-55.59	376.02	5.98	-49.61
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CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1C(N)=O	REAL300020050399	0	39	-1.0	-51.31	316.98	0.20	-51.11
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1C(N)=O	REAL300020050399	1	39	-1.0	-51.30	317.05	0.19	-51.11
CN(C)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Cl	REAL300020050400	0	40	-1.0	-52.34	337.37	2.94	-49.40
CN(C)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300020050400	1	40	-1.0	-52.33	337.43	2.93	-49.40
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CCCCN(C)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050405	0	49	-1.0	-52.52	383.05	5.60	-46.92
CCCCN(C)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050405	1	49	-1.0	-52.59	383.12	5.59	-47.00
COC(=O)CCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050406	0	44	-1.0	-54.56	365.04	4.95	-49.61
COC(=O)CCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050406	1	44	-1.0	-54.58	365.10	4.95	-49.63
CNC(=O)CCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050407	0	46	-1.0	-56.24	377.67	1.29	-54.95
CNC(=O)CCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050407	1	46	-1.0	-56.24	377.74	1.28	-54.96
CN1C(=O)CCC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C21	REAL300020050408	0	43	-1.0	-53.63	343.43	3.62	-50.01
CN1C(=O)CCC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C21	REAL300020050408	1	43	-1.0	-53.68	343.50	3.61	-50.07
COC(=O)CCSCC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050409	0	48	-1.0	-54.80	409.76	6.32	-48.48
COC(=O)CCSCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050409	1	48	-1.0	-54.83	409.83	6.31	-48.52
CCOC1=CC=C(OC)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050410	0	43	-1.0	-55.50	345.75	2.35	-53.15
CCOC1=CC=C(OC)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050410	1	43	-1.0	-55.47	345.82	2.34	-53.13
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050411	0	51	0.0	-76.75	397.51	5.02	-71.73
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050411	1	51	0.0	-76.77	397.57	5.02	-71.75
O=C(NC1=CC(F)=C(F)C=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050412	0	32	-1.0	-47.38	284.24	2.94	-44.44
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CC(C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1)N1CCOCC1	REAL300020050413	0	51	-1.0	-52.03	391.74	2.76	-49.27
CC(C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1)N1CCOCC1	REAL300020050413	1	51	-1.0	-52.02	391.80	2.76	-49.26
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CC(C)(C)S(=O)(=O)CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050420	1	50	-1.0	-61.65	407.07	2.90	-58.75
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CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1C(=O)NC(C)C	REAL300020050425	1	48	-1.0	-51.14	381.38	3.31	-47.83
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CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050427	1	51	-1.0	-52.12	400.13	4.55	-47.57
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COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Br	REAL300020050429	0	36	-1.0	-54.09	316.34	2.69	-51.40
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CC(C)N1N=CC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C21	REAL300020050433	1	44	-1.0	-52.58	357.61	4.24	-48.34
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CC(=O)NCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050436	0	42	-1.0	-55.59	348.88	1.72	-53.87
CC(=O)NCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050436	1	42	-1.0	-55.62	348.95	1.71	-53.91
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CC(C)COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300020050439	0	44	-1.0	-50.03	357.30	1.85	-48.18
CC(C)COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300020050439	1	44	-1.0	-50.06	357.24	1.85	-48.21
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CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050443	0	49	-1.0	-53.71	395.50	6.85	-46.86
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050443	1	49	-1.0	-53.70	395.57	6.84	-46.86
CC(CC#N)SC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050444	0	43	-1.0	-60.40	361.41	5.70	-54.70
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CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050445	1	47	-1.0	-62.39	390.50	2.41	-59.98
C#CCOC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050446	0	38	-1.0	-58.03	323.55	3.51	-54.52
C#CCOC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050446	1	38	-1.0	-58.06	323.62	3.50	-54.56
C#CCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050447	0	38	-1.0	-53.96	323.85	3.47	-50.49
C#CCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050447	1	38	-1.0	-53.93	323.91	3.46	-50.47
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CS(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050452	0	37	-1.0	-70.10	323.15	1.51	-68.59
CS(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300020050452	1	37	-1.0	-70.15	323.22	1.51	-68.64
CN(C)C(=O)CN1C=NC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050453	0	41	-1.0	-67.22	342.81	4.36	-62.86
CN(C)C(=O)CN1C=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050453	1	41	-1.0	-67.22	342.75	4.37	-62.85
CC1=CC=NC(C2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)=N1	REAL300020050454	0	43	-1.0	-60.43	357.23	4.66	-55.77
CC1=CC=NC(C2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)=N1	REAL300020050454	1	43	-1.0	-60.45	357.16	4.67	-55.78
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CC1=CC=C(SCC(F)(F)F)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050455	1	42	-1.0	-51.66	365.66	5.79	-45.87
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CC(C)(C)S(=O)CC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050461	0	49	-1.0	-62.25	398.62	3.95	-58.30
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050461	1	49	-1.0	-62.30	398.68	3.94	-58.36
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COC(=O)NCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050463	0	43	-1.0	-53.93	359.71	1.14	-52.79
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CC(OC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC=C1	REAL300020050464	0	49	-1.0	-52.84	394.47	6.80	-46.04
CC(OC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC=C1	REAL300020050464	1	49	-1.0	-52.84	394.54	6.80	-46.04
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NC(=O)CCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050466	0	43	-1.0	-56.17	355.74	-0.20	-56.37
NC(=O)CCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050466	1	43	-1.0	-56.15	355.80	-0.20	-56.35
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CC(C)OC(=O)NCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050469	1	49	-1.0	-53.85	401.88	2.76	-51.09
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COC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Cl	REAL300020050471	0	38	-1.0	-49.31	333.93	3.76	-45.55
COC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300020050471	1	38	-1.0	-49.28	333.99	3.75	-45.53
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COCCS(=O)CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050475	1	47	-1.0	-65.52	397.56	1.91	-63.61
CC1=CC=C(COC2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)C=C1	REAL300020050476	0	49	-1.0	-57.61	399.09	6.70	-50.91
CC1=CC=C(COC2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)C=C1	REAL300020050476	1	49	-1.0	-57.62	399.15	6.69	-50.93
COC(=O)N(C)CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050477	0	46	-1.0	-59.91	378.65	3.70	-56.21
COC(=O)N(C)CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050477	1	46	-1.0	-59.89	378.72	3.69	-56.20
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CCCS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050479	0	46	-1.0	-54.44	383.28	1.10	-53.34
CCCS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050479	1	46	-1.0	-54.49	383.34	1.10	-53.39
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CCSC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050481	0	39	-1.0	-55.46	328.09	4.59	-50.87
CCSC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050481	1	39	-1.0	-55.48	328.15	4.59	-50.89
CC(C)(C)OC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050482	0	45	-1.0	-52.17	345.84	4.01	-48.16
CC(C)(C)OC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050482	1	45	-1.0	-52.14	345.91	4.00	-48.14
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COC(=O)C1=NNC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050488	0	41	-1.0	-64.51	348.49	2.06	-62.45
COC(=O)C1=NNC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050488	1	41	-1.0	-64.49	348.55	2.05	-62.44
CNC(=O)CN1C=CC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050489	0	46	-1.0	-65.41	380.96	3.14	-62.27
CNC(=O)CN1C=CC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050489	1	46	-1.0	-65.38	381.02	3.14	-62.24
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CCCNS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050492	0	46	-1.0	-56.54	385.81	0.50	-56.04
CCCNS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050492	1	46	-1.0	-56.54	385.88	0.49	-56.05
COCCNS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050493	0	47	-1.0	-58.03	397.68	-1.17	-59.20
COCCNS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050493	1	47	-1.0	-58.01	397.74	-1.18	-59.19
CCNS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050494	0	43	-1.0	-56.77	364.32	-0.27	-57.04
CCNS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050494	1	43	-1.0	-56.77	364.38	-0.28	-57.05
O=C(NC1=CC=C(S(=O)(=O)NCC2CC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050495	0	47	-1.0	-56.49	395.77	1.29	-55.20
O=C(NC1=CC=C(S(=O)(=O)NCC2CC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050495	1	47	-1.0	-56.47	395.84	1.28	-55.19
COC1=CC=C(OC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=N2)C=C1	REAL300020050496	0	46	-1.0	-52.18	381.77	2.40	-49.78
COC1=CC=C(OC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=N2)C=C1	REAL300020050496	1	46	-1.0	-52.17	381.71	2.41	-49.76
CC1=CC=C(OC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)N=N1	REAL300020050497	0	44	-1.0	-58.90	369.54	2.39	-56.51
CC1=CC=C(OC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)N=N1	REAL300020050497	1	44	-1.0	-58.92	369.60	2.38	-56.54
O=C(NC1=CC=NC(OC2=CC=CC=C2Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050498	0	42	-1.0	-61.61	368.51	3.49	-58.12
O=C(NC1=CC=NC(OC2=CC=CC=C2Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050498	1	42	-1.0	-61.56	368.45	3.50	-58.06
CC1=CC=CC(OC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=N2)=C1C	REAL300020050499	0	48	-1.0	-52.48	390.54	4.25	-48.23
CC1=CC=CC(OC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=N2)=C1C	REAL300020050499	1	48	-1.0	-52.44	390.47	4.25	-48.19
CS(=O)(=O)CCN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050500	0	41	-1.0	-60.05	353.69	-0.14	-60.19
CS(=O)(=O)CCN1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050500	1	41	-1.0	-60.07	353.63	-0.13	-60.20
O=C(NC1=CC=C(COCC2=CC=CC=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050501	0	49	-1.0	-53.13	403.51	6.45	-46.68
O=C(NC1=CC=C(COCC2=CC=CC=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050501	1	49	-1.0	-53.15	403.58	6.44	-46.71
CC1=NN(C(C)C)C(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050502	0	44	-1.0	-56.63	357.51	3.16	-53.47
CC1=NN(C(C)C)C(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050502	1	44	-1.0	-56.61	357.57	3.15	-53.46
O=C(NC1=CC=C(OC2=CC=C(F)C=C2F)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050503	0	42	-1.0	-52.46	365.92	3.13	-49.33
O=C(NC1=CC=C(OC2=CC=C(F)C=C2F)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050503	1	42	-1.0	-52.49	365.85	3.14	-49.35
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1OC(C)C	REAL300020050504	0	45	-1.0	-52.63	356.65	4.37	-48.26
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1OC(C)C	REAL300020050504	1	45	-1.0	-52.61	356.72	4.37	-48.24
O=C(NC1=CC=C(OCC2CCOCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050505	0	50	-1.0	-52.97	392.38	3.90	-49.07
O=C(NC1=CC=C(OCC2CCOCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050505	1	50	-1.0	-52.94	392.45	3.90	-49.04
O=C(NC1=CC=CC=C1OCC1=CC=CC(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050506	0	46	-1.0	-53.27	392.94	6.63	-46.64
O=C(NC1=CC=CC=C1OCC1=CC=CC(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050506	1	46	-1.0	-53.30	393.00	6.62	-46.68
O=C(NC1=CC=CC(CSC2CCCC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050507	0	49	-1.0	-52.85	398.69	7.47	-45.38
O=C(NC1=CC=CC(CSC2CCCC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050507	1	49	-1.0	-52.86	398.75	7.46	-45.40
CCCCS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050508	0	49	-1.0	-54.43	404.78	1.88	-52.55
CCCCS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050508	1	49	-1.0	-54.42	404.84	1.88	-52.54
O=C(NC1=CC=CC(N2CCCCCC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050509	0	50	-1.0	-54.05	371.88	4.41	-49.64
O=C(NC1=CC=CC(N2CCCCCC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050509	1	50	-1.0	-54.05	371.94	4.41	-49.64
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1OC1CCOCC1	REAL300020050510	0	50	-1.0	-52.75	388.53	3.86	-48.89
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1OC1CCOCC1	REAL300020050510	1	50	-1.0	-52.73	388.60	3.85	-48.88
COC(=O)C1=CC(Cl)=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050511	0	38	-1.0	-55.03	338.23	3.88	-51.15
COC(=O)C1=CC(Cl)=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050511	1	38	-1.0	-55.05	338.29	3.87	-51.18
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CC(C)(C)OC(=O)NC1=CC=C(F)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050513	0	49	-1.0	-48.86	395.00	3.06	-45.80
CC(C)(C)OC(=O)NC1=CC=C(F)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050513	1	49	-1.0	-48.82	395.06	3.05	-45.77
CCC1=NC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2O1	REAL300020050514	0	40	-1.0	-63.87	331.95	1.11	-62.76
CCC1=NC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2O1	REAL300020050514	1	40	-1.0	-63.89	332.01	1.11	-62.78
CC(C)C1=NC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2O1	REAL300020050515	0	43	-1.0	-63.75	352.77	1.73	-62.02
CC(C)C1=NC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2O1	REAL300020050515	1	43	-1.0	-63.74	352.83	1.72	-62.02
CC(=O)N(CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1)C1CC1	REAL300020050516	0	49	-1.0	-55.40	386.74	5.27	-50.13
CC(=O)N(CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1)C1CC1	REAL300020050516	1	49	-1.0	-55.39	386.80	5.26	-50.13
CNS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050517	0	40	-1.0	-57.12	343.28	-1.13	-58.25
CNS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050517	1	40	-1.0	-57.13	343.34	-1.13	-58.26
CN(C)C1=CC=C(Cl)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050518	0	40	-1.0	-50.61	336.43	3.08	-47.53
CN(C)C1=CC=C(Cl)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050518	1	40	-1.0	-50.62	336.49	3.08	-47.54
COC(=O)CN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050519	0	38	-1.0	-57.90	323.31	2.54	-55.36
COC(=O)CN1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050519	1	38	-1.0	-57.88	323.25	2.55	-55.33
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O=C(NC1=NN(CC2=CC=NC=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050520	1	41	-1.0	-54.13	344.83	3.57	-50.56
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050521	0	41	-1.0	-56.10	344.56	3.54	-52.56
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050521	1	41	-1.0	-56.14	344.62	3.53	-52.61
CN(C)C(=O)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=N1	REAL300020050522	0	41	-1.0	-68.44	335.18	1.82	-66.62
CN(C)C(=O)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=N1	REAL300020050522	1	41	-1.0	-68.43	335.11	1.83	-66.60
CNS(=O)(=O)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1OC	REAL300020050523	0	44	-1.0	-53.67	363.63	-1.21	-54.88
CNS(=O)(=O)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1OC	REAL300020050523	1	44	-1.0	-53.69	363.70	-1.22	-54.91
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O=C(NC1=NN(CCN2CCOCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050524	1	48	-1.0	-52.39	378.39	0.81	-51.58
N#CCCN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050525	0	36	-1.0	-54.03	310.91	2.84	-51.19
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CC1=CN(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2F)N=C1	REAL300020050528	0	42	-1.0	-52.49	350.08	4.60	-47.89
CC1=CN(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2F)N=C1	REAL300020050528	1	42	-1.0	-52.51	350.02	4.60	-47.91
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC=C1S(=O)(=O)NC1CC1	REAL300020050529	0	47	-1.0	-55.00	387.99	1.60	-53.40
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC=C1S(=O)(=O)NC1CC1	REAL300020050529	1	47	-1.0	-55.00	388.06	1.59	-53.41
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1C(=O)N(C)C	REAL300020050530	0	45	-1.0	-54.28	358.91	3.22	-51.06
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1C(=O)N(C)C	REAL300020050530	1	45	-1.0	-54.24	358.98	3.21	-51.03
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CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1N1CCCS1(=O)=O	REAL300020050532	0	47	-1.0	-59.22	386.27	2.43	-56.79
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1N1CCCS1(=O)=O	REAL300020050532	1	47	-1.0	-59.19	386.33	2.43	-56.76
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CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050534	0	46	-1.0	-51.33	386.59	1.04	-50.29
CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050534	1	46	-1.0	-51.35	386.66	1.03	-50.32
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1OCCC(C)C	REAL300020050535	0	51	-1.0	-50.54	398.66	5.79	-44.75
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1OCCC(C)C	REAL300020050535	1	51	-1.0	-50.54	398.73	5.78	-44.76
CC1CN(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)CCO1	REAL300020050536	0	48	-1.0	-51.78	375.85	2.43	-49.35
CC1CN(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)CCO1	REAL300020050536	1	48	-1.0	-51.81	375.91	2.43	-49.38
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O=C(NC1=NC2=C(SC=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050538	1	31	-1.0	-49.04	288.71	2.38	-46.66
O=C([N-]C1=NC2=C(SC=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050538	1	30	-2.0	-108.17	285.46	1.19	-106.98
O=C([N-]C1=NC2=C(SC=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050538	1	30	-2.0	-108.16	285.52	1.19	-106.97
CC1=CC=CC(COC2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)=C1	REAL300020050539	0	49	-1.0	-57.56	399.09	6.69	-50.87
CC1=CC=CC(COC2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)=C1	REAL300020050539	1	49	-1.0	-57.60	399.16	6.68	-50.92
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050540	0	44	-1.0	-53.46	366.28	4.36	-49.10
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050540	1	44	-1.0	-53.44	366.34	4.36	-49.08
CCNC(=O)N1CCC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050541	0	48	-1.0	-58.24	382.87	3.42	-54.82
CCNC(=O)N1CCC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050541	1	48	-1.0	-58.26	382.93	3.41	-54.85
CN(C)S(=O)(=O)C1=CC=C(F)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050542	0	43	-1.0	-52.54	366.99	0.82	-51.72
CN(C)S(=O)(=O)C1=CC=C(F)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050542	1	43	-1.0	-52.54	367.05	0.81	-51.73
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1OC(F)F	REAL300020050543	0	39	-1.0	-52.75	325.72	3.08	-49.67
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1OC(F)F	REAL300020050543	1	39	-1.0	-52.78	325.79	3.07	-49.71
CS(=O)(=O)NCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050544	0	43	-1.0	-57.48	366.62	-0.47	-57.95
CS(=O)(=O)NCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050544	1	43	-1.0	-57.47	366.68	-0.48	-57.95
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O=C(NCC1=CC=CO1)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050545	1	48	-1.0	-60.18	399.95	2.21	-57.97
O=C(NC1=CC=C(OCC2=NOC(C3CC3)=N2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050546	0	48	-1.0	-57.30	401.17	3.05	-54.25
O=C(NC1=CC=C(OCC2=NOC(C3CC3)=N2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050546	1	48	-1.0	-57.28	401.24	3.05	-54.23
O=C(NC1=NC2=C(COCC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050547	0	36	-1.0	-47.35	305.53	1.10	-46.25
O=C(NC1=NC2=C(COCC2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050547	1	36	-1.0	-47.37	305.59	1.09	-46.28
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050547	1	35	-2.0	-106.31	302.28	-0.10	-106.41
CC1CCN(C2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)CC1	REAL300020050548	0	50	-1.0	-51.17	380.48	4.57	-46.60
CC1CCN(C2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)CC1	REAL300020050548	1	50	-1.0	-51.17	380.55	4.56	-46.61
CS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050549	0	40	-1.0	-55.44	340.31	-0.59	-56.03
CS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050549	1	40	-1.0	-55.46	340.37	-0.59	-56.05
CS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Cl	REAL300020050550	0	40	-1.0	-53.13	354.48	0.01	-53.12
CS(=O)(=O)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300020050550	1	40	-1.0	-53.16	354.54	0.00	-53.16
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050551	0	42	-1.0	-57.90	350.14	4.34	-53.56
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050551	1	42	-1.0	-57.89	350.07	4.34	-53.55
O=C(NC1=CN(C2=CC=CC=C2)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050552	0	39	-1.0	-56.74	324.74	3.90	-52.84
O=C(NC1=CN(C2=CC=CC=C2)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050552	1	39	-1.0	-56.74	324.68	3.91	-52.83
O=C(NC1=CN(C2=CC=CC=N2)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050553	0	38	-1.0	-55.19	321.83	3.22	-51.97
O=C(NC1=CN(C2=CC=CC=N2)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050553	1	38	-1.0	-55.18	321.76	3.23	-51.95
CN1C(=O)COC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050554	0	41	-1.0	-52.09	333.90	1.67	-50.42
CN1C(=O)COC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050554	1	41	-1.0	-52.10	333.97	1.66	-50.44
O=C(NC1=CC=C(N2CCSCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050555	0	45	-1.0	-51.20	360.56	3.87	-47.33
O=C(NC1=CC=C(N2CCSCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050555	1	45	-1.0	-51.21	360.63	3.87	-47.34
O=C(CN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1)NC1CC1	REAL300020050556	0	43	-1.0	-70.00	359.30	0.78	-69.22
O=C(CN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1)NC1CC1	REAL300020050556	1	43	-1.0	-69.97	359.23	0.79	-69.18
CC(C)(C)N1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300020050557	0	41	-1.0	-56.61	328.69	2.49	-54.12
CC(C)(C)N1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300020050557	1	41	-1.0	-56.59	328.63	2.50	-54.09
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050558	0	41	-1.0	-59.49	344.91	2.56	-56.93
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050558	1	41	-1.0	-59.48	344.98	2.55	-56.93
CN(C)C(=O)CN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300020050559	0	42	-1.0	-70.38	345.44	0.99	-69.39
CN(C)C(=O)CN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300020050559	1	42	-1.0	-70.38	345.37	1.00	-69.38
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050560	0	44	-1.0	-71.24	352.86	3.65	-67.59
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050560	1	44	-1.0	-71.23	352.92	3.64	-67.59
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1OCC1CCOCC1	REAL300020050561	0	53	-1.0	-52.16	412.14	4.70	-47.46
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1OCC1CCOCC1	REAL300020050561	1	53	-1.0	-52.13	412.21	4.70	-47.43
O=C(NC1=CC(F)=CC=C1SCC(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050562	0	39	-1.0	-56.45	344.02	5.04	-51.41
O=C(NC1=CC(F)=CC=C1SCC(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050562	1	39	-1.0	-56.45	344.09	5.03	-51.42
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1OCC1CCCCC1	REAL300020050563	0	55	-1.0	-50.83	421.06	7.11	-43.72
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1OCC1CCCCC1	REAL300020050563	1	55	-1.0	-50.83	421.12	7.11	-43.72
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1OCC(F)(F)F	REAL300020050564	0	42	-1.0	-53.02	357.69	4.14	-48.88
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1OCC(F)(F)F	REAL300020050564	1	42	-1.0	-53.04	357.75	4.13	-48.91
CCCN1C=CC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050565	0	45	-1.0	-54.91	363.88	6.13	-48.78
CCCN1C=CC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050565	1	45	-1.0	-54.91	363.95	6.13	-48.78
O=C(NC1=CC=C(CC(F)(F)F)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050566	0	38	-1.0	-51.15	327.67	4.49	-46.66
O=C(NC1=CC=C(CC(F)(F)F)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050566	1	38	-1.0	-51.14	327.74	4.48	-46.66
CCSCC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050567	0	42	-1.0	-52.51	354.30	5.47	-47.04
CCSCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050567	1	42	-1.0	-52.55	354.37	5.47	-47.08
O=C(NC1=CC(F)=C(F)C(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050568	0	32	-1.0	-48.90	285.42	2.92	-45.98
O=C(NC1=CC(F)=C(F)C(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050568	1	32	-1.0	-48.88	285.48	2.91	-45.97
CCOC(=O)CC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050569	0	44	-1.0	-58.49	365.51	5.08	-53.41
CCOC(=O)CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050569	1	44	-1.0	-58.48	365.57	5.07	-53.41
O=C(NC1=CN(CC(F)(F)F)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050570	0	35	-1.0	-59.47	308.12	1.84	-57.63
O=C(NC1=CN(CC(F)(F)F)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050570	1	35	-1.0	-59.48	308.06	1.85	-57.63
CC(C)SC1=C(Cl)C=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050571	0	42	-1.0	-47.13	361.70	6.10	-41.03
CC(C)SC1=C(Cl)C=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050571	1	42	-1.0	-47.13	361.77	6.10	-41.03
CC(C)SCC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050572	0	45	-1.0	-52.38	372.57	6.11	-46.27
CC(C)SCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050572	1	45	-1.0	-52.36	372.64	6.11	-46.25
N#CC1=CC=C(OC2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)N=C1	REAL300020050573	0	43	-1.0	-57.12	373.87	3.51	-53.61
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COC(=O)CCCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050574	0	41	-2.0	-121.61	365.07	2.01	-119.60
COC(=O)CCCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050574	1	41	-2.0	-121.63	365.13	2.00	-119.63
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O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050575	1	39	-1.0	-59.24	336.79	4.62	-54.62
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CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(OCC[NH+](C)C)=C1	REAL300020050577	0	51	0.0	-71.58	394.57	5.18	-66.40
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(OCC[NH+](C)C)=C1	REAL300020050577	1	51	0.0	-71.60	394.63	5.18	-66.42
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1S(N)(=O)=O	REAL300020050578	0	40	-1.0	-66.92	335.97	-1.64	-68.56
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1S(N)(=O)=O	REAL300020050578	1	40	-1.0	-66.90	336.04	-1.64	-68.54
CC1=CC(S(N)(=O)=O)=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C	REAL300020050579	0	43	-1.0	-57.72	356.15	-0.93	-58.65
CC1=CC(S(N)(=O)=O)=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL300020050579	1	43	-1.0	-57.73	356.21	-0.94	-58.67
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050580	0	42	-1.0	-58.01	352.74	3.13	-54.88
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050580	1	42	-1.0	-57.99	352.67	3.14	-54.85
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300020050581	0	54	-1.0	-52.34	413.17	7.25	-45.09
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300020050581	1	54	-1.0	-52.28	413.10	7.26	-45.02
COC(=O)C1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C(C)N1	REAL300020050582	0	39	-1.0	-51.96	324.80	1.81	-50.15
COC(=O)C1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C(C)N1	REAL300020050582	1	39	-1.0	-51.97	324.87	1.81	-50.16
CCN1N=NN=C1C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050583	0	43	-1.0	-70.10	351.42	2.93	-67.17
CCN1N=NN=C1C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050583	1	43	-1.0	-70.09	351.49	2.92	-67.17
CC(=O)N(C)C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050584	0	42	-1.0	-58.36	344.60	3.34	-55.02
CC(=O)N(C)C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050584	1	42	-1.0	-58.37	344.67	3.34	-55.03
O=C(NC1=CN(CCN2CCOCC2)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050585	0	48	-1.0	-57.17	378.52	-0.18	-57.35
O=C(NC1=CN(CCN2CCOCC2)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050585	1	48	-1.0	-57.19	378.58	-0.19	-57.38
CC(C)CCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050586	0	48	-1.0	-51.74	378.62	5.02	-46.72
CC(C)CCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050586	1	48	-1.0	-51.79	378.69	5.02	-46.77
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050587	0	45	-1.0	-62.35	368.41	1.85	-60.50
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050587	1	45	-1.0	-62.32	368.47	1.84	-60.48
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1N1CCOC1=O	REAL300020050588	0	45	-1.0	-59.29	371.75	2.63	-56.66
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1N1CCOC1=O	REAL300020050588	1	45	-1.0	-59.33	371.81	2.63	-56.70
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050589	0	39	-1.0	-55.14	331.22	4.53	-50.61
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050589	1	39	-1.0	-55.15	331.28	4.53	-50.62
CCOCCOCC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C	REAL300020050590	0	52	-1.0	-54.52	411.39	4.57	-49.95
CCOCCOCC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL300020050590	1	52	-1.0	-54.56	411.46	4.56	-50.00
NC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(F)=C1	REAL300020050591	0	36	-1.0	-50.32	306.73	-0.35	-50.67
NC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(F)=C1	REAL300020050591	1	36	-1.0	-50.35	306.80	-0.36	-50.71
CCC1=NN=C(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)O1	REAL300020050592	0	43	-1.0	-55.73	361.05	0.12	-55.61
CCC1=NN=C(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)O1	REAL300020050592	1	43	-1.0	-55.76	361.12	0.11	-55.65
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1NS(C)(=O)=O	REAL300020050593	0	44	-1.0	-52.55	368.26	-1.20	-53.75
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1NS(C)(=O)=O	REAL300020050593	1	44	-1.0	-52.62	368.32	-1.21	-53.83
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1[N-]S(C)(=O)=O	REAL300020050593	1	43	-2.0	-103.49	366.26	-1.18	-104.67
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1[N-]S(C)(=O)=O	REAL300020050593	1	43	-2.0	-103.55	366.32	-1.19	-104.74
CC(C)N1C=C2C=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=CC2=N1	REAL300020050594	0	44	-1.0	-58.15	355.55	4.11	-54.04
CC(C)N1C=C2C=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=CC2=N1	REAL300020050594	1	44	-1.0	-58.16	355.48	4.12	-54.04
O=C(NC1=CC(C2=CC=CC=C2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050595	0	38	-1.0	-53.29	329.21	4.10	-49.19
O=C(NC1=CC(C2=CC=CC=C2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050595	1	38	-1.0	-53.31	329.14	4.11	-49.20
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050596	0	48	0.0	-85.07	375.90	1.65	-83.42
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050596	1	48	0.0	-85.09	375.97	1.65	-83.44
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050596	1	47	-1.0	-68.68	375.50	-0.70	-69.38
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050596	1	47	-1.0	-68.67	375.57	-0.71	-69.38
CC1=NN=C(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)O1	REAL300020050597	0	40	-1.0	-56.24	339.57	-0.64	-56.88
CC1=NN=C(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)O1	REAL300020050597	1	40	-1.0	-56.28	339.63	-0.64	-56.92
O=C(CN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1)N1CCOCC1	REAL300020050598	0	47	-1.0	-70.28	378.00	0.58	-69.70
O=C(CN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1)N1CCOCC1	REAL300020050598	1	47	-1.0	-70.28	377.94	0.59	-69.69
COC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(F)=C1	REAL300020050599	0	38	-1.0	-48.08	327.00	3.50	-44.58
COC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(F)=C1	REAL300020050599	1	38	-1.0	-48.06	327.06	3.50	-44.56
CC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1Cl	REAL300020050600	0	35	-1.0	-48.71	299.24	3.92	-44.79
CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1Cl	REAL300020050600	1	35	-1.0	-48.74	299.30	3.91	-44.83
O=C(NC1=C(F)C=C(Br)C=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050601	0	32	-1.0	-50.42	304.76	3.61	-46.81
O=C(NC1=C(F)C=C(Br)C=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050601	1	32	-1.0	-50.43	304.83	3.61	-46.82
N#CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C(F)(F)F	REAL300020050602	0	36	-1.0	-47.39	323.32	3.89	-43.50
N#CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C(F)(F)F	REAL300020050602	1	36	-1.0	-47.34	323.39	3.88	-43.46
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050603	0	42	-1.0	-60.41	352.99	3.13	-57.28
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050603	1	42	-1.0	-60.39	352.92	3.14	-57.25
CCOCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050604	0	42	-1.0	-51.64	343.61	3.40	-48.24
CCOCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050604	1	42	-1.0	-51.65	343.67	3.39	-48.26
O=C(NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050605	0	44	-1.0	-51.55	374.32	4.40	-47.15
O=C(NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050605	1	44	-1.0	-51.55	374.38	4.40	-47.15
CC1=CC=NC(OC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2C)=C1	REAL300020050606	0	48	-1.0	-53.62	394.99	4.40	-49.22
CC1=CC=NC(OC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2C)=C1	REAL300020050606	1	48	-1.0	-53.65	395.05	4.39	-49.26
O=C(NC1=CN(CC2CC2)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050607	0	39	-1.0	-57.30	321.57	2.91	-54.39
O=C(NC1=CN(CC2CC2)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050607	1	39	-1.0	-57.29	321.50	2.92	-54.37
CCC1=CC=C(CC)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050608	0	44	-1.0	-53.26	348.03	5.85	-47.41
CCC1=CC=C(CC)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050608	1	44	-1.0	-53.25	348.10	5.84	-47.41
O=C(NC1=CC=C(F)C=C1OC(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050609	0	36	-1.0	-50.08	311.43	2.48	-47.60
O=C(NC1=CC=C(F)C=C1OC(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050609	1	36	-1.0	-50.07	311.49	2.47	-47.60
CC1=C(CSC(C)C)C=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050610	0	48	-1.0	-53.29	386.75	6.92	-46.37
CC1=C(CSC(C)C)C=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050610	1	48	-1.0	-53.31	386.81	6.91	-46.40
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050611	0	46	-1.0	-55.60	367.35	5.00	-50.60
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050611	1	46	-1.0	-55.64	367.41	4.99	-50.65
CC(C)(C)C1=CN=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050612	0	40	-1.0	-56.38	334.51	3.97	-52.41
CC(C)(C)C1=CN=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050612	1	40	-1.0	-56.38	334.45	3.98	-52.40
CS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050613	0	38	-1.0	-57.41	331.73	0.26	-57.15
CS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300020050613	1	38	-1.0	-57.40	331.79	0.25	-57.15
CC(C)(C)OC(=O)CC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050614	0	50	-1.0	-57.90	398.56	6.17	-51.73
CC(C)(C)OC(=O)CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050614	1	50	-1.0	-57.91	398.62	6.16	-51.75
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050615	0	44	-1.0	-50.95	382.89	6.08	-44.87
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CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC=C1N1CCOC1=O	REAL300020050616	0	44	-1.0	-61.38	357.92	4.52	-56.86
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC=C1N1CCOC1=O	REAL300020050616	1	44	-1.0	-61.41	357.99	4.51	-56.90
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050617	0	46	-1.0	-51.35	368.02	1.97	-49.38
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050617	1	46	-1.0	-51.32	368.09	1.97	-49.35
CC(C)(C)C(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050618	0	46	-1.0	-55.96	359.37	4.76	-51.20
CC(C)(C)C(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050618	1	46	-1.0	-55.98	359.44	4.75	-51.23
CC(C)CN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300020050619	0	41	-1.0	-56.96	331.58	2.87	-54.09
CC(C)CN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300020050619	1	41	-1.0	-56.97	331.52	2.88	-54.09
CC(C)OC1=CC(Br)=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050620	0	42	-1.0	-51.83	357.12	4.22	-47.61
CC(C)OC1=CC(Br)=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050620	1	42	-1.0	-51.78	357.19	4.22	-47.56
O=C(NC1=CC=C(S(=O)C(F)(F)F)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050621	0	37	-1.0	-61.43	338.56	1.89	-59.54
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COC(=O)C(C)(C)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050622	0	47	-1.0	-59.97	376.50	5.05	-54.92
COC(=O)C(C)(C)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050622	1	47	-1.0	-59.98	376.57	5.04	-54.94
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050623	0	50	-1.0	-55.25	395.39	6.42	-48.83
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050623	1	50	-1.0	-55.30	395.45	6.42	-48.88
CC(C)(C)C1=NC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2S1	REAL300020050624	0	46	-1.0	-52.14	380.23	4.74	-47.40
CC(C)(C)C1=NC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2S1	REAL300020050624	1	46	-1.0	-52.14	380.16	4.74	-47.40
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1N1C=NN=N1	REAL300020050625	0	41	-1.0	-55.09	342.21	2.41	-52.68
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1N1C=NN=N1	REAL300020050625	1	41	-1.0	-55.08	342.14	2.41	-52.67
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1C(F)(F)F	REAL300020050626	0	38	-1.0	-50.63	321.09	4.23	-46.40
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1C(F)(F)F	REAL300020050626	1	38	-1.0	-50.67	321.16	4.22	-46.45
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C#CCOC1=CC=C(F)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050628	0	38	-1.0	-54.41	328.47	3.67	-50.74
C#CCOC1=CC=C(F)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050628	1	38	-1.0	-54.41	328.54	3.66	-50.75
COC(=O)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C(OC)C(OC)=C1	REAL300020050629	0	46	-1.0	-56.49	383.09	2.80	-53.69
COC(=O)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C(OC)C(OC)=C1	REAL300020050629	1	46	-1.0	-56.54	383.16	2.80	-53.74
C#CCOC1=CC(F)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050630	0	38	-1.0	-50.18	329.31	3.68	-46.50
C#CCOC1=CC(F)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050630	1	38	-1.0	-50.20	329.38	3.67	-46.53
O=C(NC1=CC=C(F)C(Br)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050631	0	32	-1.0	-51.22	293.43	3.40	-47.82
O=C(NC1=CC=C(F)C(Br)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050631	1	32	-1.0	-51.18	293.49	3.39	-47.79
O=C(NC1=CC=CC(N2CCCNC2=O)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050632	0	45	-1.0	-61.07	362.78	2.44	-58.63
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O=C(NC1=C(F)C=C(F)C=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050633	1	32	-1.0	-50.32	289.95	3.05	-47.27
COC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C(=O)OC	REAL300020050634	0	44	-1.0	-59.71	372.06	4.37	-55.34
COC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C(=O)OC	REAL300020050634	1	44	-1.0	-59.74	372.12	4.36	-55.38
O=C(NC1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050635	0	42	-1.0	-53.31	369.77	3.61	-49.70
O=C(NC1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050635	1	42	-1.0	-53.32	369.71	3.62	-49.70
CC1=CC=CC=C1C1=CN=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050636	0	41	-1.0	-57.22	349.53	5.48	-51.74
CC1=CC=CC=C1C1=CN=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050636	1	41	-1.0	-57.20	349.46	5.49	-51.71
COC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1Br	REAL300020050637	0	36	-1.0	-51.18	316.61	2.67	-48.51
COC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1Br	REAL300020050637	1	36	-1.0	-51.23	316.68	2.67	-48.56
CN(C)C(=O)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1F	REAL300020050638	0	42	-1.0	-57.65	346.74	2.68	-54.97
CN(C)C(=O)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1F	REAL300020050638	1	42	-1.0	-57.67	346.80	2.68	-54.99
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COCCCOC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050639	1	46	-1.0	-57.75	373.01	2.83	-54.92
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050640	0	51	0.0	-79.13	391.03	5.33	-73.80
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050640	1	51	0.0	-79.13	391.09	5.32	-73.81
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CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050642	0	49	-1.0	-66.40	385.59	2.90	-63.50
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050642	1	49	-1.0	-66.42	385.66	2.89	-63.53
CC1=NN(CC2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)C(C)=N1	REAL300020050643	0	47	-1.0	-56.15	386.89	5.46	-50.69
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CSC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300020050647	1	36	-1.0	-53.76	321.69	4.20	-49.56
CC1CCN(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)CC1	REAL300020050648	0	50	-1.0	-51.84	380.52	4.57	-47.27
CC1CCN(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)CC1	REAL300020050648	1	50	-1.0	-51.86	380.58	4.56	-47.30
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CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050650	0	47	-1.0	-55.53	378.10	6.72	-48.81
CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050650	1	47	-1.0	-55.54	378.17	6.71	-48.83
COCCNC(=O)CN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300020050651	0	46	-1.0	-69.41	382.75	-1.01	-70.42
COCCNC(=O)CN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300020050651	1	46	-1.0	-69.38	382.69	-1.01	-70.39
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O=C(NC1=CC=C(CCC(F)(F)F)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050653	0	41	-1.0	-51.49	349.21	5.31	-46.18
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CSC1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050654	0	30	-2.0	-103.22	286.89	0.35	-102.87
CSC1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050654	1	30	-2.0	-103.18	286.95	0.35	-102.83
CC1CCN(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)CC1	REAL300020050655	0	50	-1.0	-51.84	380.52	4.57	-47.27
CC1CCN(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)CC1	REAL300020050655	1	50	-1.0	-51.86	380.58	4.56	-47.30
CCOC(=O)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CN1C	REAL300020050656	0	42	-1.0	-65.18	347.12	3.83	-61.35
CCOC(=O)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CN1C	REAL300020050656	1	42	-1.0	-65.19	347.19	3.83	-61.36
O=C(NC1=NN(CC(F)F)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050657	0	35	-1.0	-52.93	301.90	2.66	-50.27
O=C(NC1=NN(CC(F)F)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050657	1	35	-1.0	-52.93	301.83	2.66	-50.27
CCCCCN1N=C(C)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050658	0	47	-1.0	-51.77	375.00	5.19	-46.58
CCCCCN1N=C(C)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050658	1	47	-1.0	-51.78	375.07	5.18	-46.60
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050659	0	39	-1.0	-54.24	342.26	3.58	-50.66
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050659	1	39	-1.0	-54.30	342.33	3.57	-50.73
CN1C=C(Br)C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C1=O	REAL300020050660	0	35	-1.0	-65.37	314.20	3.04	-62.33
CN1C=C(Br)C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C1=O	REAL300020050660	1	35	-1.0	-65.38	314.27	3.04	-62.34
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1N1CCOC1=O	REAL300020050661	0	44	-1.0	-55.32	360.94	4.40	-50.92
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1N1CCOC1=O	REAL300020050661	1	44	-1.0	-55.38	361.01	4.39	-50.99
O=C(NC1=CC(C(F)(F)F)=CC2=C1OCC(=O)N2)NC1(C2=N[N-]N=N2)CCC1	REAL300020050662	0	41	-1.0	-50.45	354.45	1.06	-49.39
O=C(NC1=CC(C(F)(F)F)=CC2=C1OCC(=O)N2)NC1(C2=NN=N[N-]2)CCC1	REAL300020050662	1	41	-1.0	-50.48	354.51	1.05	-49.43
CC1=CC=C(C(F)(F)F)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050663	0	38	-1.0	-56.27	324.26	4.64	-51.63
CC1=CC=C(C(F)(F)F)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050663	1	38	-1.0	-56.27	324.33	4.63	-51.64
O=C(NC1=CC(Br)=C(F)C=C1Cl)NC1(C2=N[N-]N=N2)CCC1	REAL300020050664	0	32	-1.0	-46.22	307.50	4.00	-42.22
O=C(NC1=CC(Br)=C(F)C=C1Cl)NC1(C2=NN=N[N-]2)CCC1	REAL300020050664	1	32	-1.0	-46.21	307.56	3.99	-42.22
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C(=O)N(C)C	REAL300020050665	0	45	-1.0	-50.98	359.90	3.26	-47.72
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C(=O)N(C)C	REAL300020050665	1	45	-1.0	-51.00	359.97	3.26	-47.74
CC1CCN(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)CC1	REAL300020050666	0	50	-1.0	-51.84	380.52	4.57	-47.27
CC1CCN(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)CC1	REAL300020050666	1	50	-1.0	-51.86	380.58	4.56	-47.30
CN1CCOC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050667	0	42	-1.0	-54.03	332.66	1.30	-52.73
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CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050669	0	49	-1.0	-52.84	402.08	7.99	-44.85
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050669	1	49	-1.0	-52.84	402.15	7.99	-44.85
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CCCCCCOC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050672	0	53	-1.0	-50.43	429.26	7.42	-43.01
CCCCCCOC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050672	1	53	-1.0	-50.40	429.32	7.41	-42.99
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050673	0	48	-1.0	-53.62	387.34	6.31	-47.31
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050673	1	48	-1.0	-53.60	387.41	6.30	-47.30
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050674	0	41	-1.0	-52.77	341.56	2.10	-50.67
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CC1=CC(=O)N(C)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050675	0	38	-1.0	-55.94	309.72	2.07	-53.87
CC1=CC(=O)N(C)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050675	1	38	-1.0	-55.94	309.76	2.08	-53.86
CC1=NC(C2=CC=C(C)C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)=NN1	REAL300020050676	0	44	-1.0	-64.99	362.30	4.34	-60.65
CC1=NC(C2=CC=C(C)C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)=NN1	REAL300020050676	1	44	-1.0	-64.99	362.37	4.34	-60.65
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050677	0	43	-1.0	-49.74	350.63	4.39	-45.35
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050677	1	43	-1.0	-49.73	350.70	4.38	-45.35
O=C(NC1=CC=CC=C1C#CC1=CC=CC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050678	0	44	-1.0	-51.89	373.18	8.01	-43.88
O=C(NC1=CC=CC=C1C#CC1=CC=CC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050678	1	44	-1.0	-51.87	373.25	8.00	-43.87
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C2=NC(C3CC3)=NO2)=C1	REAL300020050679	0	47	-1.0	-50.04	385.97	4.45	-45.59
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C2=NC(C3CC3)=NO2)=C1	REAL300020050679	1	47	-1.0	-50.07	385.91	4.46	-45.61
O=C(NC1=CC=C(F)C=C1C1=NC(C2CC2)=NO1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050680	0	44	-1.0	-46.97	370.98	3.86	-43.11
O=C(NC1=CC=C(F)C=C1C1=NC(C2CC2)=NO1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050680	1	44	-1.0	-46.96	370.92	3.86	-43.10
COC(=O)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1C	REAL300020050681	0	41	-1.0	-54.53	337.32	3.94	-50.59
COC(=O)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1C	REAL300020050681	1	41	-1.0	-54.52	337.38	3.93	-50.59
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050682	0	49	-1.0	-54.97	391.24	6.92	-48.05
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050682	1	49	-1.0	-55.00	391.30	6.92	-48.08
O=C(NC1=CC=CC(NC(=O)C2CCCCC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050683	0	52	-1.0	-54.68	403.82	5.00	-49.68
O=C(NC1=CC=CC(NC(=O)C2CCCCC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050683	1	52	-1.0	-54.67	403.88	4.99	-49.68
CCN1N=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C1CC1	REAL300020050684	0	42	-1.0	-54.01	340.62	4.33	-49.68
CCN1N=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C1CC1	REAL300020050684	1	42	-1.0	-54.01	340.69	4.33	-49.68
NC(=O)C1=CC=CC=C1OC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050685	0	47	-1.0	-65.78	386.84	3.49	-62.29
NC(=O)C1=CC=CC=C1OC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050685	1	47	-1.0	-65.82	386.90	3.48	-62.34
CC(C)(C)OCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050686	0	48	-1.0	-51.65	377.91	4.54	-47.11
CC(C)(C)OCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050686	1	48	-1.0	-51.61	377.98	4.53	-47.08
CCC1=NOC(C2=CC=C(C)C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)=N1	REAL300020050687	0	46	-1.0	-57.45	378.18	3.52	-53.93
CCC1=NOC(C2=CC=C(C)C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)=N1	REAL300020050687	1	46	-1.0	-57.40	378.11	3.52	-53.88
COC1=NC=C(C)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050688	0	38	-1.0	-50.48	314.37	0.20	-50.28
COC1=NC=C(C)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050688	1	38	-1.0	-50.49	314.30	0.21	-50.28
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050689	0	46	-1.0	-52.01	375.29	6.36	-45.65
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050689	1	46	-1.0	-52.00	375.35	6.36	-45.64
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC=C1C(F)(F)F	REAL300020050690	0	38	-1.0	-47.91	318.20	4.47	-43.44
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC=C1C(F)(F)F	REAL300020050690	1	38	-1.0	-47.94	318.27	4.47	-43.47
CN1CCC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2C1=O	REAL300020050691	0	43	-1.0	-67.50	346.17	3.24	-64.26
CN1CCC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2C1=O	REAL300020050691	1	43	-1.0	-67.47	346.23	3.23	-64.24
COC1=C(F)C=C(F)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050692	0	36	-1.0	-46.91	311.80	2.38	-44.53
COC1=C(F)C=C(F)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050692	1	36	-1.0	-46.92	311.87	2.38	-44.54
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(Cl)=N1	REAL300020050693	0	35	-1.0	-46.56	307.85	-0.03	-46.59
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(Cl)=N1	REAL300020050693	1	35	-1.0	-46.60	307.78	-0.02	-46.62
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050694	0	39	-1.0	-61.94	329.14	4.06	-57.88
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050694	1	39	-1.0	-61.97	329.07	4.07	-57.90
O=C(NC1=CC2=CC=C(Br)C=C2C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050695	0	38	-1.0	-50.03	334.11	5.59	-44.44
O=C(NC1=CC2=CC=C(Br)C=C2C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050695	1	38	-1.0	-50.01	334.18	5.58	-44.43
CC1=CN(C)C(=O)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050696	0	38	-1.0	-70.19	313.78	3.11	-67.08
CC1=CN(C)C(=O)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050696	1	38	-1.0	-70.19	313.84	3.10	-67.09
CN1N=C(C2CCC2)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050697	0	42	-1.0	-53.16	333.97	3.96	-49.20
CN1N=C(C2CCC2)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050697	1	42	-1.0	-53.15	334.04	3.95	-49.20
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050698	0	40	-2.0	-105.87	368.26	4.27	-101.60
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050698	1	40	-2.0	-105.85	368.32	4.26	-101.59
CCCSC1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050699	0	36	-2.0	-103.77	329.85	2.02	-101.75
CCCSC1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050699	1	36	-2.0	-103.74	329.92	2.02	-101.72
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050700	0	37	-2.0	-106.66	346.67	3.46	-103.20
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050700	1	37	-2.0	-106.67	346.74	3.46	-103.21
O=C(NC1=CC=C(Br)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050701	0	31	-1.0	-48.17	283.08	1.45	-46.72
O=C(NC1=CC=C(Br)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050701	1	31	-1.0	-48.13	283.02	1.46	-46.67
O=C(NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050702	0	45	-1.0	-69.19	380.03	6.17	-63.02
O=C(NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050702	1	45	-1.0	-69.17	380.09	6.16	-63.01
O=C(NC1=CC=C(Cl)C(Br)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050703	0	32	-1.0	-50.68	302.53	3.81	-46.87
O=C(NC1=CC=C(Cl)C(Br)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050703	1	32	-1.0	-50.64	302.60	3.80	-46.84
O=C(NC1=CC(F)=CC(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050704	0	32	-1.0	-48.06	289.56	3.33	-44.73
O=C(NC1=CC(F)=CC(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050704	1	32	-1.0	-48.04	289.63	3.32	-44.72
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C1=NC=CO1	REAL300020050705	0	41	-1.0	-65.35	341.66	1.65	-63.70
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C1=NC=CO1	REAL300020050705	1	41	-1.0	-65.31	341.73	1.64	-63.67
CCOC1=CC(Br)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050706	0	39	-1.0	-48.90	338.40	3.68	-45.22
CCOC1=CC(Br)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050706	1	39	-1.0	-48.87	338.47	3.67	-45.20
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050707	0	39	-1.0	-70.96	330.97	0.61	-70.35
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050707	1	39	-1.0	-70.97	331.03	0.60	-70.37
CC1=COC(C2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2C)=N1	REAL300020050708	0	44	-1.0	-62.04	360.03	2.51	-59.53
CC1=COC(C2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2C)=N1	REAL300020050708	1	44	-1.0	-62.03	360.10	2.51	-59.52
CCCCN1C=CN=C1C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050709	0	51	-1.0	-65.81	403.13	6.89	-58.92
CCCCN1C=CN=C1C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050709	1	51	-1.0	-65.79	403.20	6.89	-58.90
CCC1=CC(Br)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050710	0	38	-1.0	-49.88	326.43	5.02	-44.86
CCC1=CC(Br)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050710	1	38	-1.0	-49.87	326.49	5.02	-44.85
NS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050711	0	37	-1.0	-57.39	320.85	-2.34	-59.73
NS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050711	1	37	-1.0	-57.40	320.92	-2.34	-59.74
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050712	0	49	-1.0	-54.06	404.18	1.21	-52.85
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050712	1	49	-1.0	-54.09	404.25	1.20	-52.89
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050713	0	45	-1.0	-68.30	373.62	6.11	-62.19
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050713	1	45	-1.0	-68.31	373.69	6.10	-62.21
CC(C)CCN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050714	0	44	-1.0	-51.90	350.62	4.38	-47.52
CC(C)CCN1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050714	1	44	-1.0	-51.87	350.55	4.39	-47.48
CCOC(=O)C(C)(C)N1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300020050715	0	47	-1.0	-55.86	383.21	3.38	-52.48
CCOC(=O)C(C)(C)N1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300020050715	1	47	-1.0	-55.86	383.15	3.38	-52.48
CN(C)C1=NC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2O1	REAL300020050716	0	42	-1.0	-61.27	346.76	1.16	-60.11
CN(C)C1=NC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2O1	REAL300020050716	1	42	-1.0	-61.28	346.70	1.17	-60.11
COC1=CC(OC)=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050717	0	40	-1.0	-55.41	330.14	1.50	-53.91
COC1=CC(OC)=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300020050717	1	40	-1.0	-55.39	330.21	1.49	-53.90
COC1=CC(OC)=C(OC)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050718	0	44	-1.0	-53.82	353.14	1.37	-52.45
COC1=CC(OC)=C(OC)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050718	1	44	-1.0	-53.80	353.21	1.36	-52.44
O=C(NC1=CC=C(Cl)C=C1Br)NC1(C2=N[N-]N=N2)CCC1	REAL300020050719	0	32	-1.0	-45.76	302.29	4.02	-41.74
O=C(NC1=CC=C(Cl)C=C1Br)NC1(C2=NN=N[N-]2)CCC1	REAL300020050719	1	32	-1.0	-45.75	302.35	4.01	-41.74
COC1=CC=C(F)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050720	0	36	-1.0	-52.68	301.00	2.12	-50.56
COC1=CC=C(F)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050720	1	36	-1.0	-52.72	301.06	2.11	-50.61
O=C(NC1=CC=CC=C1OC1CCOC1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050721	0	44	-1.0	-52.26	351.70	2.46	-49.80
O=C(NC1=CC=CC=C1OC1CCOC1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050721	1	44	-1.0	-52.24	351.76	2.45	-49.79
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050722	0	41	-1.0	-61.82	352.12	1.34	-60.48
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050722	1	41	-1.0	-61.83	352.18	1.34	-60.49
CC(C1=CC=CC=C1)N1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050723	0	45	-1.0	-52.22	364.03	5.61	-46.61
CC(C1=CC=CC=C1)N1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050723	1	45	-1.0	-52.24	363.96	5.61	-46.63
O=C(NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050724	0	47	-1.0	-54.11	391.74	4.14	-49.97
O=C(NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050724	1	47	-1.0	-54.10	391.81	4.13	-49.97
CC1=NN(C2=CC=CC=C2NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=N1	REAL300020050725	0	44	-1.0	-55.73	361.27	5.44	-50.29
CC1=NN(C2=CC=CC=C2NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=N1	REAL300020050725	1	44	-1.0	-55.76	361.33	5.43	-50.33
CS(=O)(=O)CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050726	0	41	-1.0	-58.49	357.03	0.94	-57.55
CS(=O)(=O)CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300020050726	1	41	-1.0	-58.45	357.09	0.94	-57.51
COCC1=C(Cl)C=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050727	0	39	-1.0	-47.86	331.93	3.06	-44.80
COCC1=C(Cl)C=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050727	1	39	-1.0	-47.90	331.99	3.05	-44.85
O=C(NC1=CC=CC(OCCF)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050728	0	39	-1.0	-57.61	324.62	3.07	-54.54
O=C(NC1=CC=CC(OCCF)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050728	1	39	-1.0	-57.63	324.69	3.07	-54.56
CC1=NC(N2CCOCC2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050729	0	47	-1.0	-51.05	366.32	1.77	-49.28
CC1=NC(N2CCOCC2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050729	1	47	-1.0	-51.04	366.39	1.76	-49.28
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1N1N=NN=C1C1CC1	REAL300020050730	0	48	-1.0	-55.63	396.74	3.74	-51.89
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1N1N=NN=C1C1CC1	REAL300020050730	1	48	-1.0	-55.67	396.80	3.74	-51.93
CC1=CC(C)=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(Br)=C1	REAL300020050731	0	38	-1.0	-51.45	331.87	5.02	-46.43
CC1=CC(C)=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(Br)=C1	REAL300020050731	1	38	-1.0	-51.40	331.94	5.02	-46.38
O=C(NC1=CC=CN=C1Br)NC1(C2=NN=N[N-]2)CCC1	REAL300020050732	0	31	-1.0	-47.47	279.79	1.61	-45.86
O=C(NC1=CC=CN=C1Br)NC1(C2=N[N-]N=N2)CCC1	REAL300020050732	1	31	-1.0	-47.44	279.72	1.61	-45.83
CC1=COC(C2=CC=C(C)C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)=N1	REAL300020050733	0	44	-1.0	-58.10	362.28	2.65	-55.45
CC1=COC(C2=CC=C(C)C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)=N1	REAL300020050733	1	44	-1.0	-58.09	362.22	2.66	-55.43
O=C(NC1=CC(F)=CC=C1OC(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050734	0	36	-1.0	-52.57	310.60	2.47	-50.10
O=C(NC1=CC(F)=CC=C1OC(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050734	1	36	-1.0	-52.62	310.66	2.46	-50.16
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050735	0	39	-1.0	-48.26	346.82	3.57	-44.69
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050735	1	39	-1.0	-48.27	346.89	3.56	-44.71
O=C(NC1=CC=C(F)C=C1OC1CCCC1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050736	0	46	-1.0	-48.57	366.45	5.14	-43.43
O=C(NC1=CC=C(F)C=C1OC1CCCC1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050736	1	46	-1.0	-48.55	366.51	5.13	-43.42
CC1=CC=NC(OC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)=N1	REAL300020050737	0	44	-1.0	-58.17	369.05	1.77	-56.40
CC1=CC=NC(OC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)=N1	REAL300020050737	1	44	-1.0	-58.12	369.12	1.76	-56.36
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=CC=C21	REAL300020050738	0	53	-1.0	-54.85	412.13	5.56	-49.29
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=CC=C21	REAL300020050738	1	53	-1.0	-54.87	412.20	5.55	-49.32
O=C(NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050739	0	43	-1.0	-51.10	368.45	5.81	-45.29
O=C(NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050739	1	43	-1.0	-51.09	368.51	5.80	-45.29
O=C(NC1=CC(F)=CC=C1Br)NC1(C2=N[N-]N=N2)CCC1	REAL300020050740	0	32	-1.0	-49.29	291.03	3.54	-45.75
O=C(NC1=CC(F)=CC=C1Br)NC1(C2=NN=N[N-]2)CCC1	REAL300020050740	1	32	-1.0	-49.30	291.10	3.53	-45.77
O=C(NC1=CC=C(C(=O)NC2CCOCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050741	0	50	-1.0	-51.99	397.75	2.14	-49.85
O=C(NC1=CC=C(C(=O)NC2CCOCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050741	1	50	-1.0	-52.00	397.81	2.14	-49.86
CNS(=O)(=O)C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C	REAL300020050742	0	43	-1.0	-55.59	355.49	-0.08	-55.67
CNS(=O)(=O)C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL300020050742	1	43	-1.0	-55.63	355.56	-0.09	-55.72
O=C(NC1=CC=CC=C1OCC(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050743	0	39	-1.0	-56.23	330.11	3.38	-52.85
O=C(NC1=CC=CC=C1OCC(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050743	1	39	-1.0	-56.25	330.17	3.38	-52.87
NC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300020050744	0	35	-1.0	-53.02	298.48	-2.22	-55.24
NC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300020050744	1	35	-1.0	-53.04	298.42	-2.22	-55.26
O=C(NC1=CC=C(C2CC2)N=N1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050745	0	37	-1.0	-64.47	307.56	3.19	-61.28
O=C(NC1=CC=C(C2CC2)N=N1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050745	1	37	-1.0	-64.46	307.63	3.18	-61.28
CC(C)(C)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N=N1	REAL300020050746	0	42	-1.0	-64.43	337.21	3.62	-60.81
CC(C)(C)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N=N1	REAL300020050746	1	42	-1.0	-64.40	337.14	3.63	-60.77
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(Br)=N1	REAL300020050747	0	35	-1.0	-46.57	311.99	0.08	-46.49
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(Br)=N1	REAL300020050747	1	35	-1.0	-46.54	311.92	0.08	-46.46
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050748	0	55	0.0	-71.82	416.16	6.24	-65.58
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050748	1	55	0.0	-71.80	416.22	6.23	-65.57
COC(=O)COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C2=CC=CN=C12	REAL300020050749	0	47	-1.0	-58.21	389.67	4.18	-54.03
COC(=O)COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C2=CC=CN=C12	REAL300020050749	1	47	-1.0	-58.17	389.60	4.19	-53.98
O=C(NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050750	0	41	-1.0	-55.29	352.30	5.57	-49.72
O=C(NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050750	1	41	-1.0	-55.25	352.24	5.58	-49.67
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050751	0	39	-1.0	-53.44	336.67	5.59	-47.85
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050751	1	39	-1.0	-53.38	336.61	5.60	-47.78
COC(=O)CCC1=CSC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050752	0	40	-1.0	-48.37	349.29	3.08	-45.29
COC(=O)CCC1=CSC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050752	1	40	-1.0	-48.38	349.36	3.08	-45.30
COC(=O)CCC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050752	1	39	-2.0	-104.41	346.03	1.88	-102.53
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050753	0	40	-1.0	-66.93	334.68	4.73	-62.20
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050753	1	40	-1.0	-66.95	334.75	4.72	-62.23
CN(C1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1)S(C)(=O)=O	REAL300020050754	0	43	-1.0	-64.84	364.37	1.19	-63.65
CN(C1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1)S(C)(=O)=O	REAL300020050754	1	43	-1.0	-64.85	364.43	1.18	-63.67
CSC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)N(C2=CC=CC=C2)N=C1	REAL300020050755	0	43	-1.0	-54.20	369.66	5.51	-48.69
CSC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)N(C2=CC=CC=C2)N=C1	REAL300020050755	1	43	-1.0	-54.17	369.56	5.52	-48.65
COC1=NC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C(N)=O	REAL300020050756	0	39	-1.0	-52.71	326.40	-2.48	-55.19
COC1=NC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C(N)=O	REAL300020050756	1	39	-1.0	-52.69	326.33	-2.47	-55.16
CCOC1=CC(Cl)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050757	0	39	-1.0	-48.95	333.84	3.58	-45.37
CCOC1=CC(Cl)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050757	1	39	-1.0	-48.95	333.91	3.57	-45.38
CC1=CC=C(Cl)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050758	0	35	-1.0	-48.87	301.92	4.01	-44.86
CC1=CC=C(Cl)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050758	1	35	-1.0	-48.93	301.98	4.00	-44.93
CCCOC1=CC(F)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050759	0	42	-1.0	-48.35	344.20	3.93	-44.42
CCCOC1=CC(F)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050759	1	42	-1.0	-48.33	344.27	3.93	-44.40
COC(=O)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CN1	REAL300020050760	0	36	-1.0	-48.78	307.42	1.11	-47.67
COC(=O)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CN1	REAL300020050760	1	36	-1.0	-48.75	307.49	1.10	-47.65
CN(C)C1=NN=C(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)O1	REAL300020050761	0	45	-1.0	-57.51	376.13	0.13	-57.38
CN(C)C1=NN=C(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)O1	REAL300020050761	1	45	-1.0	-57.52	376.19	0.12	-57.40
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050762	0	41	-1.0	-52.08	348.94	5.35	-46.73
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050762	1	41	-1.0	-52.07	349.01	5.34	-46.73
O=C(NC1=CC=CC(N2C=CN=N2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050763	0	38	-1.0	-65.65	319.19	2.61	-63.04
O=C(NC1=CC=CC(N2C=CN=N2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050763	1	38	-1.0	-65.64	319.12	2.61	-63.03
CC1(C)CC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2O1	REAL300020050764	0	43	-1.0	-52.77	343.82	3.98	-48.79
CC1(C)CC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2O1	REAL300020050764	1	43	-1.0	-52.74	343.88	3.98	-48.76
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C)=N1	REAL300020050765	0	38	-1.0	-50.49	311.55	0.26	-50.23
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C)=N1	REAL300020050765	1	38	-1.0	-50.50	311.62	0.25	-50.25
COC1=CC(F)=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050766	0	36	-1.0	-51.37	302.59	2.07	-49.30
COC1=CC(F)=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050766	1	36	-1.0	-51.34	302.66	2.06	-49.28
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(=O)N(C)C=C1	REAL300020050767	0	38	-1.0	-65.54	311.77	3.38	-62.16
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(=O)N(C)C=C1	REAL300020050767	1	38	-1.0	-65.54	311.84	3.38	-62.16
N#CCOC1=CC(F)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050768	0	37	-1.0	-53.10	322.89	2.91	-50.19
N#CCOC1=CC(F)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050768	1	37	-1.0	-53.13	322.95	2.90	-50.23
COC(=O)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CN1C	REAL300020050769	0	39	-1.0	-65.26	325.26	2.91	-62.35
COC(=O)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CN1C	REAL300020050769	1	39	-1.0	-65.27	325.32	2.90	-62.37
COC1=CC(F)=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050770	0	36	-1.0	-51.01	307.23	2.19	-48.82
COC1=CC(F)=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300020050770	1	36	-1.0	-51.03	307.30	2.19	-48.84
CC1=NC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2O1	REAL300020050771	0	37	-1.0	-52.16	310.44	0.36	-51.80
CC1=NC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2O1	REAL300020050771	1	37	-1.0	-52.17	310.51	0.35	-51.82
COC1=NC=NC(N(C)C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050772	0	42	-1.0	-51.95	341.64	0.25	-51.70
COC1=NC=NC(N(C)C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050772	1	42	-1.0	-51.95	341.57	0.26	-51.69
CN(C1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1)C1CCCC1	REAL300020050773	0	50	-1.0	-51.37	383.38	5.24	-46.13
CN(C1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1)C1CCCC1	REAL300020050773	1	50	-1.0	-51.35	383.44	5.24	-46.11
COC(=O)C1=CSC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050774	0	35	-1.0	-47.41	312.68	2.52	-44.89
COC(=O)C1=CSC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050774	1	35	-1.0	-47.42	312.74	2.51	-44.91
CC1=NC(CC(C)C)=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050775	0	43	-1.0	-48.52	348.70	3.63	-44.89
CC1=NC(CC(C)C)=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050775	1	43	-1.0	-48.52	348.77	3.63	-44.89
CC1=COC(C2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)=N1	REAL300020050776	0	41	-1.0	-57.72	344.82	1.80	-55.92
CC1=COC(C2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)=N1	REAL300020050776	1	41	-1.0	-57.74	344.75	1.81	-55.93
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CC(C)SC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050778	0	42	-1.0	-50.95	341.44	5.26	-45.69
CC(C)SC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050778	1	42	-1.0	-51.02	341.50	5.25	-45.77
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O=C([N-]C1=NN=C(CC(F)(F)F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050779	1	32	-2.0	-111.46	307.18	0.81	-110.65
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050780	0	38	-1.0	-62.58	331.35	3.44	-59.14
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050780	1	38	-1.0	-62.54	331.42	3.43	-59.11
COC(=O)COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C2=CC=CC=C12	REAL300020050781	0	48	-1.0	-54.88	393.70	6.05	-48.83
COC(=O)COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C2=CC=CC=C12	REAL300020050781	1	48	-1.0	-54.88	393.77	6.05	-48.83
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050782	0	53	-1.0	-52.90	400.24	5.50	-47.40
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050782	1	53	-1.0	-52.88	400.30	5.49	-47.39
CC1=CC(Cl)=NC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050783	0	34	-1.0	-54.51	297.25	2.22	-52.29
CC1=CC(Cl)=NC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050783	1	34	-1.0	-54.47	297.32	2.21	-52.26
CN1C=C(C2=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)N3C=CC=CC3=N2)C=N1	REAL300020050784	0	45	-1.0	-54.76	370.00	5.41	-49.35
CN1C=C(C2=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)N3C=CC=CC3=N2)C=N1	REAL300020050784	1	45	-1.0	-54.72	369.93	5.42	-49.30
COC(=O)C1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC(S(C)(=O)=O)=C1	REAL300020050785	0	44	-1.0	-61.30	382.17	0.90	-60.40
COC(=O)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC(S(C)(=O)=O)=C1	REAL300020050785	1	44	-1.0	-61.30	382.23	0.89	-60.41
CN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C(Br)C1=O	REAL300020050786	0	35	-1.0	-59.94	314.88	2.13	-57.81
CN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C(Br)C1=O	REAL300020050786	1	35	-1.0	-59.95	314.94	2.13	-57.82
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050787	0	40	-1.0	-48.55	325.87	4.53	-44.02
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050787	1	40	-1.0	-48.55	325.94	4.53	-44.02
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CN=C1Cl	REAL300020050788	0	34	-1.0	-48.54	297.29	1.97	-46.57
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CN=C1Cl	REAL300020050788	1	34	-1.0	-48.54	297.23	1.97	-46.57
CC1=CC(Br)=NC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050789	0	34	-1.0	-54.33	301.85	2.29	-52.04
CC1=CC(Br)=NC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050789	1	34	-1.0	-54.38	301.91	2.29	-52.09
O=C(NC1=CC=C2COCC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050790	0	37	-1.0	-52.75	302.67	2.00	-50.75
O=C(NC1=CC=C2COCC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050790	1	37	-1.0	-52.78	302.74	1.99	-50.79
O=C(NC1=CC(F)=C(Br)C=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050791	0	32	-1.0	-46.93	298.51	3.49	-43.44
O=C(NC1=CC(F)=C(Br)C=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050791	1	32	-1.0	-46.92	298.57	3.49	-43.43
CN1C(=O)OC2=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=CC=C21	REAL300020050792	0	38	-1.0	-52.20	320.00	2.68	-49.52
CN1C(=O)OC2=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=CC=C21	REAL300020050792	1	38	-1.0	-52.20	320.07	2.67	-49.53
O=C(NC1=CC=C2CCNC(=O)C2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050793	0	40	-1.0	-65.63	326.30	1.17	-64.46
O=C(NC1=CC=C2CCNC(=O)C2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050793	1	40	-1.0	-65.62	326.36	1.16	-64.46
CC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C	REAL300020050794	0	40	-1.0	-50.23	322.43	3.83	-46.40
CC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C	REAL300020050794	1	40	-1.0	-50.23	322.49	3.82	-46.41
O=C(NC1=CC=C(C2=NC=CO2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050795	0	38	-1.0	-54.47	322.55	1.24	-53.23
O=C(NC1=CC=C(C2=NC=CO2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050795	1	38	-1.0	-54.41	322.49	1.25	-53.16
CC(C)(C)OC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050796	0	47	-1.0	-51.03	376.29	5.42	-45.61
CC(C)(C)OC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050796	1	47	-1.0	-51.04	376.35	5.41	-45.63
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050797	0	45	-1.0	-49.61	353.13	4.06	-45.55
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050797	1	45	-1.0	-49.63	353.20	4.05	-45.58
CCCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050798	0	42	-1.0	-51.80	339.56	3.72	-48.08
CCCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050798	1	42	-1.0	-51.83	339.62	3.71	-48.12
COC1=CC=C(F)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050799	0	36	-1.0	-53.25	300.83	2.19	-51.06
COC1=CC=C(F)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050799	1	36	-1.0	-53.31	300.90	2.18	-51.13
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050800	0	52	-1.0	-54.12	407.01	3.87	-50.25
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050800	1	52	-1.0	-54.14	407.08	3.86	-50.28
O=C(NC1=CC=C(Cl)C=C1C(=O)C1=CC=CN1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050801	0	42	-1.0	-44.10	370.19	4.69	-39.41
O=C(NC1=CC=C(Cl)C=C1C(=O)C1=CC=CN1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050801	1	42	-1.0	-44.11	370.25	4.68	-39.43
CCCC(=O)NC1=CC=C(Cl)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050802	0	45	-1.0	-49.13	380.14	3.80	-45.33
CCCC(=O)NC1=CC=C(Cl)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050802	1	45	-1.0	-49.11	380.21	3.80	-45.31
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050803	0	47	-1.0	-59.64	378.44	-0.56	-60.20
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050803	1	47	-1.0	-59.67	378.37	-0.56	-60.23
CC1CC[NH+](CCC2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)CC1	REAL300020050804	0	57	0.0	-73.01	429.56	7.92	-65.09
CC1CC[NH+](CCC2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)CC1	REAL300020050804	1	57	0.0	-73.00	429.62	7.91	-65.09
O=C(NC1=NN(C2=CC=CC=C2)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050805	0	38	-1.0	-51.13	321.29	3.42	-47.71
O=C(NC1=NN(C2=CC=CC=C2)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050805	1	38	-1.0	-51.09	321.22	3.43	-47.66
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050806	0	44	-1.0	-55.04	367.11	-0.37	-55.41
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050806	1	44	-1.0	-54.97	367.17	-0.37	-55.34
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1S(C)(=O)=O	REAL300020050807	0	41	-1.0	-59.39	338.41	0.82	-58.57
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1S(C)(=O)=O	REAL300020050807	1	41	-1.0	-59.44	338.48	0.82	-58.62
O=C(NC1=CC=CC2=C1CN(C1=CC=CC=N1)C2)NC1(C2=N[N-]N=N2)CCC1	REAL300020050808	0	47	-1.0	-54.12	378.45	4.63	-49.49
O=C(NC1=CC=CC2=C1CN(C1=CC=CC=N1)C2)NC1(C2=NN=N[N-]2)CCC1	REAL300020050808	1	47	-1.0	-54.14	378.51	4.62	-49.52
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC2=NNC=C21	REAL300020050809	0	38	-1.0	-56.60	313.90	2.04	-54.56
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC2=NNC=C21	REAL300020050809	1	38	-1.0	-56.61	313.97	2.04	-54.57
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=NN1CC(C)C	REAL300020050810	0	44	-1.0	-57.47	342.96	2.98	-54.49
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=NN1CC(C)C	REAL300020050810	1	44	-1.0	-57.43	343.02	2.97	-54.46
COC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1S(=O)(=O)N(C)C	REAL300020050811	0	47	-1.0	-58.45	384.55	0.58	-57.87
COC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1S(=O)(=O)N(C)C	REAL300020050811	1	47	-1.0	-58.43	384.62	0.58	-57.85
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050812	0	38	-1.0	-56.19	326.86	4.28	-51.91
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050812	1	38	-1.0	-56.20	326.79	4.28	-51.92
O=C(NC1=CC=CN=C1OCC(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050813	0	38	-1.0	-52.59	327.00	0.82	-51.77
O=C(NC1=CC=CN=C1OCC(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050813	1	38	-1.0	-52.57	326.94	0.83	-51.74
CCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C	REAL300020050814	0	41	-1.0	-51.60	324.92	4.62	-46.98
CCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C	REAL300020050814	1	41	-1.0	-51.58	324.99	4.62	-46.96
CC1=CC(C(C)C)=CC(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050815	0	47	-1.0	-50.86	361.55	6.03	-44.83
CC1=CC(C(C)C)=CC(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050815	1	47	-1.0	-50.86	361.60	6.03	-44.83
CC1=NC2=CC=CC=C2C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050816	0	40	-1.0	-53.02	326.79	3.89	-49.13
CC1=NC2=CC=CC=C2C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050816	1	40	-1.0	-53.04	326.86	3.88	-49.16
O=C(NC1=CC=NC=C1[N+](=O)[O-])NC1(C2=NN=N[N-]2)CCC1	REAL300020050817	0	33	-1.0	-47.01	285.74	1.93	-45.08
O=C(NC1=CC=NC=C1[N+](=O)[O-])NC1(C2=N[N-]N=N2)CCC1	REAL300020050817	1	33	-1.0	-47.00	285.68	1.93	-45.07
O=C(NC1=CC=NC=C1Br)NC1(C2=NN=N[N-]2)CCC1	REAL300020050818	0	31	-1.0	-46.74	280.72	1.71	-45.03
O=C(NC1=CC=NC=C1Br)NC1(C2=N[N-]N=N2)CCC1	REAL300020050818	1	31	-1.0	-46.76	280.65	1.72	-45.04
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050819	0	41	-1.0	-52.66	338.51	4.60	-48.06
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050819	1	41	-1.0	-52.65	338.44	4.61	-48.04
CCOC(=O)C1=CN=C(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050820	0	43	-1.0	-56.96	356.14	3.35	-53.61
CCOC(=O)C1=CN=C(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050820	1	43	-1.0	-56.98	356.20	3.34	-53.64
CC(C)(C)OC(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(F)=C1	REAL300020050821	0	47	-1.0	-47.91	381.88	5.56	-42.35
CC(C)(C)OC(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(F)=C1	REAL300020050821	1	47	-1.0	-47.94	381.95	5.55	-42.39
CCOC(=O)C1=CC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C2S1	REAL300020050822	0	44	-1.0	-50.71	381.30	5.78	-44.93
CCOC(=O)C1=CC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C2S1	REAL300020050822	1	44	-1.0	-50.70	381.37	5.77	-44.93
COC1=CC(NC(C)=O)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050823	0	43	-1.0	-63.03	352.21	0.99	-62.04
COC1=CC(NC(C)=O)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050823	1	43	-1.0	-63.05	352.28	0.98	-62.07
CC1=CN(C2=CC=C(C)C=C2NC(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1	REAL300020050824	0	45	-1.0	-56.09	363.62	5.92	-50.17
CC1=CN(C2=CC=C(C)C=C2NC(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1	REAL300020050824	1	45	-1.0	-56.11	363.56	5.93	-50.18
O=C(NC1=CC=C(Br)C(Cl)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050825	0	32	-1.0	-50.60	302.53	3.81	-46.79
O=C(NC1=CC=C(Br)C(Cl)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050825	1	32	-1.0	-50.64	302.60	3.80	-46.84
CCC(=O)C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050826	0	40	-1.0	-62.89	329.80	3.98	-58.91
CCC(=O)C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050826	1	40	-1.0	-62.87	329.87	3.98	-58.89
CC(C)OC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C#N	REAL300020050827	0	43	-1.0	-48.99	356.13	3.97	-45.02
CC(C)OC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C#N	REAL300020050827	1	43	-1.0	-49.06	356.19	3.97	-45.09
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050828	0	46	-1.0	-52.40	375.59	2.94	-49.46
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050828	1	46	-1.0	-52.44	375.65	2.93	-49.51
O=C(NC1=CC=CN=C1C1=CC=CC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050829	0	41	-1.0	-50.68	337.41	5.13	-45.55
O=C(NC1=CC=CN=C1C1=CC=CC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050829	1	41	-1.0	-50.64	337.35	5.14	-45.50
O=C(NC1=CC=C(SC2CCCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050830	0	46	-1.0	-50.49	368.69	6.38	-44.11
O=C(NC1=CC=C(SC2CCCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050830	1	46	-1.0	-50.47	368.76	6.37	-44.10
COC(=O)C1=CC=C(F)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050831	0	38	-1.0	-52.10	322.19	3.77	-48.33
COC(=O)C1=CC=C(F)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050831	1	38	-1.0	-52.11	322.26	3.76	-48.35
CCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C(=O)OC)=C1	REAL300020050832	0	44	-1.0	-51.55	359.68	5.20	-46.35
CCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C(=O)OC)=C1	REAL300020050832	1	44	-1.0	-51.60	359.74	5.19	-46.41
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050833	0	47	-1.0	-51.27	376.93	5.67	-45.60
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050833	1	47	-1.0	-51.27	376.99	5.67	-45.60
COC(=O)C1=CC=C(OC)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050834	0	42	-1.0	-55.34	346.38	3.02	-52.32
COC(=O)C1=CC=C(OC)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050834	1	42	-1.0	-55.35	346.45	3.02	-52.33
COC(=O)C1=CC(C)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050835	0	41	-1.0	-51.72	338.19	4.43	-47.29
COC(=O)C1=CC(C)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050835	1	41	-1.0	-51.74	338.26	4.43	-47.31
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(Br)=N1	REAL300020050836	0	34	-1.0	-47.66	301.33	2.22	-45.44
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(Br)=N1	REAL300020050836	1	34	-1.0	-47.63	301.39	2.22	-45.41
CC(C)OC1=CC=C(Br)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050837	0	42	-1.0	-51.50	357.12	4.36	-47.14
CC(C)OC1=CC=C(Br)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050837	1	42	-1.0	-51.54	357.18	4.35	-47.19
CCCN(C(=O)C1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1)C(C)C	REAL300020050838	0	54	-1.0	-54.35	416.06	5.91	-48.44
CCCN(C(=O)C1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1)C(C)C	REAL300020050838	1	54	-1.0	-54.36	416.12	5.90	-48.46
CS(=O)(=O)CCC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050839	0	44	-1.0	-61.54	373.22	1.70	-59.84
CS(=O)(=O)CCC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050839	1	44	-1.0	-61.52	373.28	1.69	-59.83
COC(=O)COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Cl	REAL300020050840	0	42	-1.0	-60.89	368.31	4.19	-56.70
COC(=O)COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300020050840	1	42	-1.0	-60.91	368.38	4.18	-56.73
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=NN1C1=CC=CC=C1	REAL300020050841	0	42	-1.0	-57.59	343.39	4.38	-53.21
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=NN1C1=CC=CC=C1	REAL300020050841	1	42	-1.0	-57.59	343.46	4.38	-53.21
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=NN1C1=CC=CC=C1F	REAL300020050842	0	42	-1.0	-61.85	350.15	4.54	-57.31
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=NN1C1=CC=CC=C1F	REAL300020050842	1	42	-1.0	-61.83	350.21	4.53	-57.30
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=NN1C1=CC(C)=CC=C1C	REAL300020050843	0	48	-1.0	-56.65	383.02	5.93	-50.72
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=NN1C1=CC(C)=CC=C1C	REAL300020050843	1	48	-1.0	-56.70	383.08	5.92	-50.78
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=NN1C1=CC=CC(Cl)=C1	REAL300020050844	0	42	-1.0	-57.47	360.12	4.90	-52.57
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=NN1C1=CC=CC(Cl)=C1	REAL300020050844	1	42	-1.0	-57.49	360.18	4.90	-52.59
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050845	0	38	-1.0	-57.80	329.61	2.89	-54.91
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050845	1	38	-1.0	-57.78	329.54	2.90	-54.88
CCCCN1N=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C	REAL300020050846	0	44	-1.0	-57.16	351.60	3.41	-53.75
CCCCN1N=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL300020050846	1	44	-1.0	-57.18	351.66	3.40	-53.78
O=C(NC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050847	0	42	-1.0	-54.54	363.46	4.90	-49.64
O=C(NC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050847	1	42	-1.0	-54.56	363.39	4.91	-49.65
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050848	0	43	-1.0	-54.32	347.04	1.57	-52.75
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050848	1	43	-1.0	-54.37	347.11	1.56	-52.81
O=C(NC1=NN(CC(F)(F)F)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050849	0	35	-1.0	-53.10	307.92	2.84	-50.26
O=C(NC1=NN(CC(F)(F)F)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050849	1	35	-1.0	-53.10	307.86	2.85	-50.25
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050850	0	47	-1.0	-52.29	384.03	4.97	-47.32
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050850	1	47	-1.0	-52.31	384.10	4.96	-47.35
CCOC(=O)NC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C#N	REAL300020050851	0	44	-1.0	-54.08	374.53	2.39	-51.69
CCOC(=O)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C#N	REAL300020050851	1	44	-1.0	-54.10	374.60	2.38	-51.72
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(=O)N1C	REAL300020050852	0	38	-1.0	-64.45	310.06	2.89	-61.56
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(=O)N1C	REAL300020050852	1	38	-1.0	-64.44	310.13	2.88	-61.56
CC1=CC(Cl)=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1Cl	REAL300020050853	0	35	-1.0	-48.66	315.94	4.43	-44.23
CC1=CC(Cl)=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1Cl	REAL300020050853	1	35	-1.0	-48.69	316.01	4.42	-44.27
O=C(NC1=C2SC=CC2=CC=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050854	0	35	-1.0	-50.88	302.24	4.11	-46.77
O=C(NC1=C2SC=CC2=CC=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050854	1	35	-1.0	-50.87	302.31	4.11	-46.76
NC(=O)C1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050855	0	35	-1.0	-54.19	299.70	-0.75	-54.94
NC(=O)C1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050855	1	35	-1.0	-54.18	299.63	-0.75	-54.93
CCOC(=O)CC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050856	0	38	-2.0	-119.39	344.04	1.35	-118.04
CCOC(=O)CC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050856	1	38	-2.0	-119.40	344.10	1.34	-118.06
CC1=CC(N(C)C)=CC(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050857	0	46	-1.0	-52.28	355.29	4.58	-47.70
CC1=CC(N(C)C)=CC(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050857	1	46	-1.0	-52.28	355.35	4.57	-47.71
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(N(C)C)=N1	REAL300020050858	0	42	-1.0	-49.40	334.66	2.73	-46.67
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(N(C)C)=N1	REAL300020050858	1	42	-1.0	-49.41	334.73	2.72	-46.69
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CN=C1N1CCCCC1C	REAL300020050859	0	52	-1.0	-50.69	397.01	4.84	-45.85
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CN=C1N1CCCCC1C	REAL300020050859	1	52	-1.0	-50.66	397.07	4.84	-45.82
CC(C#N)OC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050860	0	40	-1.0	-55.30	335.10	3.45	-51.85
CC(C#N)OC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050860	1	40	-1.0	-55.35	335.17	3.44	-51.91
O=C(NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050861	0	42	-1.0	-52.43	363.28	5.87	-46.56
O=C(NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050861	1	42	-1.0	-52.48	363.21	5.88	-46.60
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050862	0	42	-1.0	-57.73	358.62	6.43	-51.30
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050862	1	42	-1.0	-57.74	358.69	6.42	-51.32
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1[N+](=O)[O-]	REAL300020050863	0	38	-1.0	-49.64	321.94	3.48	-46.16
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1[N+](=O)[O-]	REAL300020050863	1	38	-1.0	-49.68	322.00	3.47	-46.21
O=C(NC1=CC=CC2=C1OCCC2=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050864	0	39	-1.0	-51.65	320.91	2.60	-49.05
O=C(NC1=CC=CC2=C1OCCC2=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050864	1	39	-1.0	-51.67	320.98	2.59	-49.08
N#CC1=CC=C(N2C=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)C(Cl)=C1	REAL300020050865	0	40	-1.0	-52.25	362.43	6.00	-46.25
N#CC1=CC=C(N2C=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)C(Cl)=C1	REAL300020050865	1	40	-1.0	-52.28	362.37	6.01	-46.27
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050866	0	41	-1.0	-47.51	353.83	5.28	-42.23
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050866	1	41	-1.0	-47.55	353.90	5.27	-42.28
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050866	1	40	-2.0	-106.55	350.58	4.08	-102.47
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050867	0	36	-1.0	-50.53	321.97	2.83	-47.70
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050867	1	36	-1.0	-50.56	322.03	2.83	-47.73
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)SC(C2=CC=CC=C2)=N1	REAL300020050868	0	41	-1.0	-51.91	350.91	4.43	-47.48
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)SC(C2=CC=CC=C2)=N1	REAL300020050868	1	41	-1.0	-51.88	350.84	4.44	-47.44
CC(C)N1N=NN=C1C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050869	0	46	-1.0	-48.52	384.22	3.76	-44.76
CC(C)N1N=NN=C1C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300020050869	1	46	-1.0	-48.55	384.29	3.75	-44.80
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CN=C1Br	REAL300020050870	0	34	-1.0	-48.59	301.35	2.02	-46.57
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CN=C1Br	REAL300020050870	1	34	-1.0	-48.54	301.28	2.02	-46.52
CCCC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=NN1C1=CC=CC(F)=C1	REAL300020050871	0	48	-1.0	-57.18	392.13	5.90	-51.28
CCCC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=NN1C1=CC=CC(F)=C1	REAL300020050871	1	48	-1.0	-57.16	392.19	5.90	-51.26
COC(=O)NC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050872	0	40	-1.0	-53.77	339.31	1.08	-52.69
COC(=O)NC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300020050872	1	40	-1.0	-53.77	339.37	1.07	-52.70
CC(C)(C)OC1=C(F)C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1F	REAL300020050873	0	45	-1.0	-51.64	362.45	4.17	-47.47
CC(C)(C)OC1=C(F)C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1F	REAL300020050873	1	45	-1.0	-51.66	362.51	4.17	-47.49
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050874	0	40	-1.0	-54.42	358.14	5.84	-48.58
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050874	1	40	-1.0	-54.41	358.07	5.84	-48.57
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050875	0	37	-1.0	-54.84	324.71	4.14	-50.70
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050875	1	37	-1.0	-54.89	324.78	4.14	-50.75
CN1C=NC(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)=N1	REAL300020050876	0	41	-1.0	-58.64	344.88	4.82	-53.82
CN1C=NC(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)=N1	REAL300020050876	1	41	-1.0	-58.63	344.82	4.82	-53.81
COC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC(OC)=C1Br	REAL300020050877	0	40	-1.0	-51.26	344.89	2.07	-49.19
COC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC(OC)=C1Br	REAL300020050877	1	40	-1.0	-51.26	344.96	2.06	-49.20
CS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C(F)F	REAL300020050878	0	41	-1.0	-64.03	345.44	1.05	-62.98
CS(=O)(=O)C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C(F)F	REAL300020050878	1	41	-1.0	-64.01	345.50	1.04	-62.97
CSC1=CC=C(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050879	0	39	-1.0	-58.00	325.40	4.65	-53.35
CSC1=CC=C(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050879	1	39	-1.0	-58.03	325.46	4.64	-53.39
CCCC1=NN(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050880	0	41	-1.0	-52.64	331.62	3.53	-49.11
CCCC1=NN(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050880	1	41	-1.0	-52.65	331.68	3.53	-49.12
CCCN1C(=O)CCC2=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=CC=C21	REAL300020050881	0	49	-1.0	-52.40	384.46	5.20	-47.20
CCCN1C(=O)CCC2=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=CC=C21	REAL300020050881	1	49	-1.0	-52.41	384.52	5.19	-47.22
CCC(C)N1N=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1C	REAL300020050882	0	44	-1.0	-53.01	348.57	4.16	-48.85
CCC(C)N1N=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1C	REAL300020050882	1	44	-1.0	-53.02	348.64	4.15	-48.87
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C1=CC=C(C)C=C1	REAL300020050883	0	45	-1.0	-52.95	364.80	5.98	-46.97
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C1=CC=C(C)C=C1	REAL300020050883	1	45	-1.0	-52.98	364.86	5.98	-47.00
CC1=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=CC=C1N(C)C	REAL300020050884	0	43	-1.0	-50.18	337.40	3.55	-46.63
CC1=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=CC=C1N(C)C	REAL300020050884	1	43	-1.0	-50.18	337.47	3.55	-46.63
CN1CCC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050885	0	41	-1.0	-51.86	327.45	2.55	-49.31
CN1CCC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050885	1	41	-1.0	-51.87	327.51	2.54	-49.33
O=C(NC1=CC=NC(OCC(F)(F)C(F)F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050886	0	41	-1.0	-61.01	359.86	1.77	-59.24
O=C(NC1=CC=NC(OCC(F)(F)C(F)F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050886	1	41	-1.0	-61.03	359.80	1.77	-59.26
O=C(NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050887	0	43	-1.0	-56.08	364.78	1.68	-54.40
O=C(NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050887	1	43	-1.0	-56.12	364.84	1.67	-54.45
CCN1N=C(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C(=O)OC	REAL300020050888	0	44	-1.0	-52.91	364.44	2.58	-50.33
CCN1N=C(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C(=O)OC	REAL300020050888	1	44	-1.0	-52.94	364.51	2.58	-50.36
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050889	0	37	-1.0	-66.16	320.73	3.01	-63.15
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050889	1	37	-1.0	-66.13	320.67	3.01	-63.12
O=C(NC1=CC=C(Br)C2=CC=CC=C12)NC1(C2=N[N-]N=N2)CCC1	REAL300020050890	0	38	-1.0	-50.43	327.39	5.62	-44.81
O=C(NC1=CC=C(Br)C2=CC=CC=C12)NC1(C2=NN=N[N-]2)CCC1	REAL300020050890	1	38	-1.0	-50.46	327.46	5.62	-44.84
O=C(NC1=CN=C2CCOCC2=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050891	0	39	-1.0	-50.39	315.27	1.00	-49.39
O=C(NC1=CN=C2CCOCC2=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050891	1	39	-1.0	-50.40	315.34	1.00	-49.40
COCCN1C=CC2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C21	REAL300020050892	0	46	-1.0	-56.38	376.05	4.42	-51.96
COCCN1C=CC2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C21	REAL300020050892	1	46	-1.0	-56.37	376.12	4.42	-51.95
O=C(NC1=CC(F)=C(N2CCCCC2)C(F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050893	0	47	-1.0	-50.13	372.32	4.28	-45.85
O=C(NC1=CC(F)=C(N2CCCCC2)C(F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050893	1	47	-1.0	-50.11	372.38	4.27	-45.84
COC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC(OC)=C1C(C)C	REAL300020050894	0	49	-1.0	-51.49	379.19	3.73	-47.76
COC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC(OC)=C1C(C)C	REAL300020050894	1	49	-1.0	-51.54	379.25	3.72	-47.82
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050895	0	41	-1.0	-52.44	347.28	4.88	-47.56
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050895	1	41	-1.0	-52.43	347.35	4.88	-47.55
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C1=CC=CC(F)=C1	REAL300020050896	0	42	-1.0	-53.77	351.25	5.40	-48.37
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C1=CC=CC(F)=C1	REAL300020050896	1	42	-1.0	-53.75	351.32	5.39	-48.36
CC1=CC=CC=C1N1N=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050897	0	42	-1.0	-52.42	342.35	5.84	-46.58
CC1=CC=CC=C1N1N=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050897	1	42	-1.0	-52.41	342.29	5.85	-46.56
CS(=O)(=O)CC1=NOC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050898	0	35	-2.0	-125.83	320.31	-4.65	-130.48
CS(=O)(=O)CC1=NOC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050898	1	35	-2.0	-125.84	320.38	-4.66	-130.50
CS(=O)(=O)CC1=NOC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050898	1	36	-1.0	-65.44	323.56	-2.84	-68.28
CS(=O)(=O)CC1=NOC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050898	1	36	-1.0	-65.46	323.62	-2.85	-68.31
O=C(NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050899	0	47	-1.0	-56.98	376.55	6.01	-50.97
O=C(NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050899	1	47	-1.0	-56.99	376.62	6.00	-50.99
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C1=CC(C)=CC(C)=C1	REAL300020050900	0	48	-1.0	-53.39	387.59	6.65	-46.74
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C1=CC(C)=CC(C)=C1	REAL300020050900	1	48	-1.0	-53.41	387.66	6.65	-46.76
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C1=CC=CC(Cl)=C1	REAL300020050901	0	42	-1.0	-53.16	361.56	5.85	-47.31
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C1=CC=CC(Cl)=C1	REAL300020050901	1	42	-1.0	-53.16	361.62	5.84	-47.32
CCCC1=CN=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050902	0	37	-1.0	-55.95	317.90	3.68	-52.27
CCCC1=CN=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050902	1	37	-1.0	-55.95	317.84	3.69	-52.26
CC1=NN(C2CC3CCC2C3)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050903	0	49	-1.0	-52.45	373.57	6.01	-46.44
CC1=NN(C2CC3CCC2C3)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050903	1	49	-1.0	-52.49	373.64	6.01	-46.48
CSC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C	REAL300020050904	0	39	-1.0	-50.61	321.49	4.49	-46.12
CSC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL300020050904	1	39	-1.0	-50.61	321.55	4.49	-46.12
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050905	0	38	-1.0	-58.05	335.28	0.82	-57.23
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050905	1	38	-1.0	-58.03	335.21	0.83	-57.20
CC(C)OC1=CC(F)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050906	0	42	-1.0	-48.66	341.64	3.81	-44.85
CC(C)OC1=CC(F)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050906	1	42	-1.0	-48.71	341.71	3.80	-44.91
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C1=CC=CC=C1Cl	REAL300020050907	0	42	-1.0	-55.26	360.07	6.05	-49.21
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C1=CC=CC=C1Cl	REAL300020050907	1	42	-1.0	-55.25	360.13	6.04	-49.21
O=C(NC1=CC=NC(OC2CCCCC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050908	0	48	-1.0	-58.66	377.45	3.21	-55.45
O=C(NC1=CC=NC(OC2CCCCC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050908	1	48	-1.0	-58.68	377.39	3.21	-55.47
CC1=NC(Br)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050909	0	34	-1.0	-48.48	301.76	2.33	-46.15
CC1=NC(Br)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050909	1	34	-1.0	-48.54	301.83	2.33	-46.21
O=C(NC1=CC=C(F)C=C1OCC(F)F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050910	0	39	-1.0	-52.98	336.54	3.45	-49.53
O=C(NC1=CC=C(F)C=C1OCC(F)F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050910	1	39	-1.0	-53.02	336.60	3.45	-49.57
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050911	0	46	-1.0	-52.54	377.96	5.98	-46.56
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050911	1	46	-1.0	-52.54	378.03	5.98	-46.56
CN1C=NN(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)C1=O	REAL300020050912	0	42	-1.0	-65.48	349.82	4.96	-60.52
CN1C=NN(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)C1=O	REAL300020050912	1	42	-1.0	-65.50	349.89	4.96	-60.54
O=C(NC1=C(F)C=C(Cl)C=C1F)NC1(C2=N[N-]N=N2)CCC1	REAL300020050913	0	32	-1.0	-50.51	300.20	3.51	-47.00
O=C(NC1=C(F)C=C(Cl)C=C1F)NC1(C2=NN=N[N-]2)CCC1	REAL300020050913	1	32	-1.0	-50.50	300.26	3.50	-47.00
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1[N+](=O)[O-]	REAL300020050914	0	37	-1.0	-50.09	310.38	3.93	-46.16
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1[N+](=O)[O-]	REAL300020050914	1	37	-1.0	-50.06	310.44	3.92	-46.14
CCOC(=O)C1=CN(C)N=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050915	0	41	-1.0	-59.69	346.58	3.39	-56.30
CCOC(=O)C1=CN(C)N=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050915	1	41	-1.0	-59.68	346.51	3.40	-56.28
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050916	0	41	-1.0	-50.12	347.85	1.87	-48.25
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050916	1	41	-1.0	-50.14	347.91	1.87	-48.27
O=C(NC1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050917	0	39	-1.0	-50.29	358.40	6.14	-44.15
O=C(NC1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050917	1	39	-1.0	-50.26	358.33	6.14	-44.12
O=C(NC1=CC=C(C2=CC=CN2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050918	0	40	-1.0	-52.45	328.94	4.14	-48.31
O=C(NC1=CC=C(C2=CC=CN2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050918	1	40	-1.0	-52.48	329.00	4.13	-48.35
CN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(C2=CC=CC=C2)=N1	REAL300020050919	0	42	-1.0	-51.31	345.45	4.22	-47.09
CN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(C2=CC=CC=C2)=N1	REAL300020050919	1	42	-1.0	-51.26	345.38	4.22	-47.04
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1C1=CC=CC=C1	REAL300020050920	0	42	-1.0	-53.24	343.39	5.30	-47.94
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1C1=CC=CC=C1	REAL300020050920	1	42	-1.0	-53.23	343.46	5.30	-47.93
O=C(NC1=CC=NN1CC1=CC=CO1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050921	0	39	-1.0	-53.59	329.29	3.40	-50.19
O=C(NC1=CC=NN1CC1=CC=CO1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050921	1	39	-1.0	-53.56	329.22	3.41	-50.15
O=C(NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050922	0	45	-1.0	-56.18	370.73	5.98	-50.20
O=C(NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050922	1	45	-1.0	-56.19	370.67	5.98	-50.21
CC1=NN(C(F)F)C(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050923	0	38	-1.0	-54.30	317.53	1.43	-52.87
CC1=NN(C(F)F)C(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050923	1	38	-1.0	-54.29	317.60	1.42	-52.87
CCS(=O)(=O)CCN1C=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=N1	REAL300020050924	0	44	-1.0	-61.20	375.35	-0.25	-61.45
CCS(=O)(=O)CCN1C=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=N1	REAL300020050924	1	44	-1.0	-61.20	375.28	-0.25	-61.45
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1S(=O)(=O)NC1CC1	REAL300020050925	0	47	-1.0	-59.99	390.05	1.48	-58.51
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1S(=O)(=O)NC1CC1	REAL300020050925	1	47	-1.0	-59.96	390.11	1.48	-58.48
O=C(NC1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050926	0	44	-1.0	-57.28	380.95	0.63	-56.65
O=C(NC1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050926	1	44	-1.0	-57.30	381.01	0.63	-56.67
CCN1N=C(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C	REAL300020050927	0	41	-1.0	-55.93	329.00	2.26	-53.67
CCN1N=C(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL300020050927	1	41	-1.0	-55.93	329.06	2.25	-53.68
CC1=NN(C2CCS(=O)(=O)C2)C(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050928	0	48	-1.0	-61.96	392.99	0.20	-61.76
CC1=NN(C2CCS(=O)(=O)C2)C(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050928	1	48	-1.0	-61.93	393.05	0.19	-61.74
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050929	0	43	-1.0	-59.46	360.76	5.82	-53.64
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050929	1	43	-1.0	-59.44	360.83	5.81	-53.63
COCCN1N=C(C)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1C	REAL300020050930	0	45	-1.0	-55.32	371.44	1.54	-53.78
COCCN1N=C(C)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1C	REAL300020050930	1	45	-1.0	-55.35	371.51	1.53	-53.82
CC1=CN(C2=CC=C(C(N)=O)C=C2NC(=O)NC2(C3=NN=N[N-]3)CCC2)N=C1	REAL300020050931	0	46	-1.0	-68.56	376.65	2.05	-66.51
CC1=CN(C2=CC=C(C(N)=O)C=C2NC(=O)NC2(C3=N[N-]N=N3)CCC2)N=C1	REAL300020050931	1	46	-1.0	-68.58	376.58	2.06	-66.52
CC1=CC=C(CN2C=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C2=O)C=C1	REAL300020050932	0	48	-1.0	-68.95	395.03	6.78	-62.17
CC1=CC=C(CN2C=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C2=O)C=C1	REAL300020050932	1	48	-1.0	-68.92	395.10	6.77	-62.15
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=NN1CCC#N	REAL300020050933	0	39	-1.0	-54.10	330.58	3.31	-50.79
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=NN1CCC#N	REAL300020050933	1	39	-1.0	-54.10	330.65	3.30	-50.80
COC(=O)CCSC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050934	0	45	-1.0	-55.50	383.83	5.41	-50.09
COC(=O)CCSC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050934	1	45	-1.0	-55.49	383.89	5.41	-50.08
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(Cl)=C1Cl	REAL300020050935	0	35	-1.0	-46.41	314.39	4.40	-42.01
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(Cl)=C1Cl	REAL300020050935	1	35	-1.0	-46.42	314.45	4.39	-42.03
CCC(C)N1N=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050936	0	41	-1.0	-51.68	326.94	3.63	-48.05
CCC(C)N1N=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050936	1	41	-1.0	-51.68	326.87	3.63	-48.05
O=C(NC1=CC=NN1CC1=CC=CC=N1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050937	0	41	-1.0	-56.84	343.14	3.49	-53.35
O=C(NC1=CC=NN1CC1=CC=CC=N1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050937	1	41	-1.0	-56.89	343.20	3.48	-53.41
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054202	0	30	-2.0	-90.17	302.84	-2.31	-92.48
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054202	1	30	-2.0	-90.16	302.90	-2.29	-92.45
N#CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)=C1	REAL300020054203	0	33	-2.0	-90.58	330.10	0.67	-89.91
N#CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)=C1	REAL300020054203	1	33	-2.0	-90.56	330.05	0.65	-89.91
N#CC1=CC=CC(C2=CSC(NC(=O)C(=O)NCC3=NN=N[N-]3)=N2)=C1	REAL300020054203	1	34	-1.0	-39.97	332.69	1.77	-38.20
N#CC1=CC=CC(C2=CSC(NC(=O)C(=O)NCC3=N[N-]N=N3)=N2)=C1	REAL300020054203	1	34	-1.0	-40.00	332.64	1.76	-38.24
CCS(=O)(=O)C1=CC=C(Cl)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054204	0	36	-1.0	-38.69	341.49	-0.87	-39.56
CCS(=O)(=O)C1=CC=C(Cl)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054204	1	36	-1.0	-38.68	341.55	-0.86	-39.54
CC1=CC(Cl)=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL300020054205	0	30	-1.0	-35.67	299.16	1.23	-34.44
CC1=CC(Cl)=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL300020054205	1	30	-1.0	-35.64	299.22	1.24	-34.40
O=C(NCC1=N[N-]N=N1)C(=O)NC1=C2SC=CC2=CC=C1	REAL300020054206	0	30	-1.0	-37.63	285.60	0.89	-36.74
O=C(NCC1=NN=N[N-]1)C(=O)NC1=C2SC=CC2=CC=C1	REAL300020054206	1	30	-1.0	-37.65	285.66	0.90	-36.75
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(Cl)=CC=C1Br	REAL300020054207	0	27	-1.0	-35.45	284.60	0.79	-34.66
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(Cl)=CC=C1Br	REAL300020054207	1	27	-1.0	-35.44	284.66	0.80	-34.64
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(N(C)C)=N1	REAL300020054208	0	37	-1.0	-36.14	316.36	-0.56	-36.70
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020054208	1	38	0.0	-48.10	321.87	-0.64	-48.74
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(N(C)C)=N1	REAL300020054208	1	37	-1.0	-36.09	316.42	-0.53	-36.62
CC(C#N)OC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054209	0	35	-1.0	-43.29	317.46	0.21	-43.08
CC(C#N)OC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054209	1	35	-1.0	-43.31	317.52	0.22	-43.09
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300020054210	0	37	-1.0	-41.10	345.96	2.66	-38.44
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300020054210	1	37	-1.0	-41.09	345.90	2.65	-38.44
CCOC(=O)COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054211	0	40	-1.0	-43.55	356.47	1.34	-42.21
CCOC(=O)COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054211	1	40	-1.0	-43.55	356.53	1.36	-42.19
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020054212	0	33	-1.0	-47.51	304.24	0.25	-47.26
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020054212	1	33	-1.0	-47.50	304.30	0.26	-47.24
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC2=C1OCCC2=O	REAL300020054213	0	34	-1.0	-38.54	304.04	-0.64	-39.18
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC2=C1OCCC2=O	REAL300020054213	1	34	-1.0	-38.51	304.10	-0.62	-39.13
N#CC1=CC=C(N2C=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=N2)C(Cl)=C1	REAL300020054214	0	35	-1.0	-41.44	344.75	2.76	-38.68
N#CC1=CC=C(N2C=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=N2)C(Cl)=C1	REAL300020054214	1	35	-1.0	-41.46	344.69	2.75	-38.71
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300020054215	0	31	-1.0	-37.12	304.01	-0.37	-37.49
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300020054215	1	31	-1.0	-37.14	304.06	-0.36	-37.50
CC1=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020054216	0	35	-2.0	-88.32	332.29	0.17	-88.15
CC1=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020054216	1	35	-2.0	-88.32	332.23	0.15	-88.17
CC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020054216	1	36	-1.0	-37.64	333.16	1.19	-36.45
CC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020054216	1	36	-1.0	-37.60	333.10	1.17	-36.43
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC([N+](=O)[O-])=CC=C1Cl	REAL300020054217	0	29	-1.0	-39.92	291.93	0.80	-39.12
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC([N+](=O)[O-])=CC=C1Cl	REAL300020054217	1	29	-1.0	-39.95	291.99	0.82	-39.13
CC(C)N1N=NN=C1C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1F	REAL300020054218	0	41	-1.0	-40.64	366.99	0.51	-40.13
CC(C)N1N=NN=C1C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1F	REAL300020054218	1	41	-1.0	-40.65	367.05	0.53	-40.12
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CN=C1Br	REAL300020054219	0	29	-1.0	-35.39	283.66	-1.19	-36.58
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CN=C1Br	REAL300020054219	1	29	-1.0	-35.37	283.60	-1.20	-36.57
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1N1CCOCC1	REAL300020054220	0	43	-1.0	-37.62	356.77	-0.30	-37.92
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1N1CCOCC1	REAL300020054220	1	43	-1.0	-37.60	356.83	-0.28	-37.88
CCCC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=NN1C1=CC=CC(F)=C1	REAL300020054221	0	43	-1.0	-38.69	373.98	2.66	-36.03
CCCC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=NN1C1=CC=CC(F)=C1	REAL300020054221	1	43	-1.0	-38.68	374.04	2.67	-36.01
COC(=O)NC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1F	REAL300020054222	0	35	-1.0	-38.57	321.60	-2.15	-40.72
COC(=O)NC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1F	REAL300020054222	1	35	-1.0	-38.56	321.65	-2.14	-40.70
CC(C)(C)OC1=C(F)C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1F	REAL300020054223	0	40	-1.0	-36.95	344.75	0.94	-36.01
CC(C)(C)OC1=C(F)C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1F	REAL300020054223	1	40	-1.0	-36.92	344.82	0.95	-35.97
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054224	0	35	-1.0	-44.60	340.43	2.59	-42.01
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054224	1	35	-1.0	-44.56	340.37	2.57	-41.99
O=C(CN1C=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1)N1CCCCCC1	REAL300020054225	0	46	-1.0	-53.42	380.17	4.12	-49.30
O=C(CN1C=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1)N1CCCCCC1	REAL300020054225	1	46	-1.0	-53.43	380.12	4.11	-49.32
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CNN=C1C1=CC=CC=C1	REAL300020054226	0	34	-1.0	-36.86	304.75	-0.33	-37.19
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CNN=C1C1=CC=CC=C1	REAL300020054226	1	34	-1.0	-36.88	304.81	-0.31	-37.19
CNC(=O)CN1C=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054227	0	33	-1.0	-54.25	307.32	-0.79	-55.04
CNC(=O)CN1C=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054227	1	33	-1.0	-54.28	307.26	-0.80	-55.08
COC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=CC=C1C(N)=O	REAL300020054228	0	35	-1.0	-42.37	311.76	-2.98	-45.35
COC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=CC=C1C(N)=O	REAL300020054228	1	35	-1.0	-42.37	311.81	-2.97	-45.34
COC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC(OC)=C1Br	REAL300020054229	0	35	-1.0	-37.44	327.52	-1.17	-38.61
COC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC(OC)=C1Br	REAL300020054229	1	35	-1.0	-37.42	327.57	-1.16	-38.58
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1C(F)F	REAL300020054230	0	36	-1.0	-44.97	334.36	-2.15	-47.12
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1C(F)F	REAL300020054230	1	36	-1.0	-44.99	334.42	-2.13	-47.12
CSC1=CC=C(C)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054231	0	34	-1.0	-40.28	306.74	1.36	-38.92
CSC1=CC=C(C)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054231	1	34	-1.0	-40.27	306.80	1.38	-38.89
CCCN1C(=O)CCC2=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL300020054232	0	44	-1.0	-40.02	367.91	2.07	-37.95
CCCN1C(=O)CCC2=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL300020054232	1	44	-1.0	-40.04	367.97	2.09	-37.95
CCC(C)N1N=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1C	REAL300020054233	0	39	-1.0	-39.30	330.87	0.91	-38.39
CCC(C)N1N=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1C	REAL300020054233	1	39	-1.0	-39.28	330.93	0.92	-38.36
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL300020054234	0	40	-1.0	-39.55	348.54	2.76	-36.79
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL300020054234	1	40	-1.0	-39.54	348.60	2.76	-36.78
CC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=CC=C1N(C)C	REAL300020054235	0	38	-1.0	-35.96	319.71	0.32	-35.64
CC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=CC=C1N(C)C	REAL300020054235	1	38	-1.0	-35.97	319.77	0.34	-35.63
CN1CCC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C21	REAL300020054236	0	36	-1.0	-37.28	309.78	-0.66	-37.94
CN1CCC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C21	REAL300020054236	1	36	-1.0	-37.26	309.84	-0.65	-37.91
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NC(OCC(F)(F)C(F)F)=C1	REAL300020054237	0	36	-1.0	-36.79	343.40	-1.51	-38.30
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NC(OCC(F)(F)C(F)F)=C1	REAL300020054237	1	36	-1.0	-36.77	343.34	-1.54	-38.31
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1	REAL300020054238	0	38	-1.0	-47.17	347.12	-1.54	-48.71
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1	REAL300020054238	1	38	-1.0	-47.18	347.16	-1.53	-48.71
COCCOC1=C(Cl)C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL300020054239	0	38	-1.0	-38.00	369.71	0.23	-37.77
COCCOC1=C(Cl)C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL300020054239	1	38	-1.0	-38.00	369.77	0.25	-37.75
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(Br)C2=CC=CC=C12	REAL300020054240	0	33	-1.0	-36.14	310.66	2.43	-33.71
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(Br)C2=CC=CC=C12	REAL300020054240	1	33	-1.0	-36.17	310.71	2.44	-33.73
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=C2CCOCC2=C1	REAL300020054241	0	34	-1.0	-37.04	297.81	-2.24	-39.28
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=C2CCOCC2=C1	REAL300020054241	1	34	-1.0	-37.03	297.87	-2.22	-39.25
COCCN1C=CC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C21	REAL300020054242	0	41	-1.0	-39.45	358.05	1.21	-38.24
COCCN1C=CC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C21	REAL300020054242	1	41	-1.0	-39.44	358.11	1.24	-38.20
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(F)=C(N2CCCCC2)C(F)=C1	REAL300020054243	0	42	-1.0	-35.88	354.33	1.07	-34.81
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(F)=C(N2CCCCC2)C(F)=C1	REAL300020054243	1	42	-1.0	-35.92	354.38	1.09	-34.83
COC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL300020054244	0	44	-1.0	-37.20	361.53	0.51	-36.69
COC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL300020054244	1	44	-1.0	-37.14	361.58	0.53	-36.61
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC(F)=C1	REAL300020054245	0	37	-1.0	-38.21	332.10	2.11	-36.10
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC(F)=C1	REAL300020054245	1	37	-1.0	-38.22	332.17	2.13	-36.09
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1	REAL300020054246	0	42	-1.0	-39.47	359.16	2.76	-36.71
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1	REAL300020054246	1	42	-1.0	-39.46	359.22	2.77	-36.69
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300020054247	0	37	-1.0	-36.60	359.04	3.05	-33.55
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300020054247	1	37	-1.0	-36.66	359.10	3.06	-33.60
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300020054248	0	37	-1.0	-39.14	359.14	3.30	-35.84
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300020054248	1	37	-1.0	-39.14	359.19	3.31	-35.83
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300020054249	0	43	-1.0	-39.70	368.51	3.37	-36.33
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300020054249	1	43	-1.0	-39.67	368.56	3.38	-36.29
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054250	0	45	-1.0	-40.44	382.86	3.78	-36.66
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054250	1	45	-1.0	-40.42	382.80	3.78	-36.64
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054251	0	41	-1.0	-42.86	357.12	3.81	-39.05
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054251	1	41	-1.0	-42.84	357.06	3.80	-39.04
CC1=NN(C2=NC=CC=N2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054252	0	35	-1.0	-43.21	317.02	2.54	-40.67
CC1=NN(C2=NC=CC=N2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054252	1	35	-1.0	-43.17	316.96	2.52	-40.65
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1C1=CC=NC=C1	REAL300020054253	0	33	-1.0	-36.92	299.25	-0.01	-36.93
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1C1=CC=NC=C1	REAL300020054253	1	33	-1.0	-36.90	299.31	0.01	-36.89
CC1=CC=C(N2N=CC=C2NC(=O)C(=O)NCC2=N[N-]N=N2)N=N1	REAL300020054254	0	35	-1.0	-42.58	317.50	0.65	-41.93
CC1=CC=C(N2N=CC=C2NC(=O)C(=O)NCC2=NN=N[N-]2)N=N1	REAL300020054254	1	35	-1.0	-42.59	317.56	0.66	-41.93
CC(=O)N1CCN(CC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020054255	0	49	-1.0	-42.98	399.99	-0.20	-43.18
CC(=O)N1CCN(CC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020054255	1	49	-1.0	-42.97	400.05	-0.19	-43.16
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300020054256	0	37	-1.0	-38.00	342.42	2.56	-35.44
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300020054256	1	37	-1.0	-38.01	342.48	2.57	-35.44
CC1=NN(C2CC3CCC2C3)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054257	0	44	-1.0	-36.38	355.98	2.75	-33.63
CC1=NN(C2CC3CCC2C3)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054257	1	44	-1.0	-36.38	356.04	2.76	-33.62
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(N2C=NN=N2)=CC=C1F	REAL300020054258	0	32	-1.0	-49.23	302.96	-0.21	-49.44
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(N2C=NN=N2)=CC=C1F	REAL300020054258	1	32	-1.0	-49.27	302.91	-0.23	-49.50
CSC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C	REAL300020054259	0	34	-1.0	-36.67	303.81	1.27	-35.40
CSC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C	REAL300020054259	1	34	-1.0	-36.67	303.86	1.28	-35.39
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NC(OCC(F)(F)F)=C1	REAL300020054260	0	33	-1.0	-35.82	317.59	-2.37	-38.19
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NC(OCC(F)(F)F)=C1	REAL300020054260	1	33	-1.0	-35.82	317.53	-2.39	-38.21
CC(C)OC1=CC(F)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054261	0	37	-1.0	-35.78	324.56	0.56	-35.22
CC(C)OC1=CC(F)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054261	1	37	-1.0	-35.77	324.61	0.58	-35.19
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300020054262	0	37	-1.0	-41.52	342.36	2.79	-38.73
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300020054262	1	37	-1.0	-41.57	342.42	2.80	-38.77
C[N@H+](CCC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1)C1CC1	REAL300020054263	0	46	0.0	-64.21	378.84	3.66	-60.55
C[N@@H+](CCC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1)C1CC1	REAL300020054263	1	46	0.0	-64.55	379.28	3.64	-60.91
C[N@H+](CCC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1)C1CC1	REAL300020054263	1	46	0.0	-64.19	378.90	3.67	-60.52
C[N@@H+](CCC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1)C1CC1	REAL300020054263	1	46	0.0	-64.54	379.33	3.67	-60.87
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CN=C1N1CCCCC1	REAL300020054264	0	41	-1.0	-35.74	337.00	0.84	-34.90
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CN=C1N1CCCCC1	REAL300020054264	1	41	-1.0	-35.77	337.05	0.86	-34.91
COC(=O)C1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054265	0	33	-1.0	-40.16	297.98	0.46	-39.70
COC(=O)C1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054265	1	33	-1.0	-40.18	298.03	0.48	-39.70
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NC(OC2CCCCC2)=C1	REAL300020054266	0	43	-1.0	-35.68	359.78	0.01	-35.67
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NC(OC2CCCCC2)=C1	REAL300020054266	1	43	-1.0	-35.73	359.72	0.00	-35.73
CC1=NC(Br)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054267	0	29	-1.0	-34.92	283.12	-0.94	-35.86
CC1=NC(Br)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054267	1	29	-1.0	-34.91	283.19	-0.93	-35.84
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(F)C=C1OCC(F)F	REAL300020054268	0	34	-1.0	-40.93	318.84	0.21	-40.72
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(F)C=C1OCC(F)F	REAL300020054268	1	34	-1.0	-40.88	318.90	0.24	-40.64
COC(=O)C1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=CS1	REAL300020054269	0	30	-1.0	-38.69	288.11	-0.65	-39.34
COC(=O)C1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=CS1	REAL300020054269	1	30	-1.0	-38.70	288.17	-0.64	-39.34
CNS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054270	0	35	-1.0	-42.37	325.32	-4.33	-46.70
CNS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054270	1	35	-1.0	-42.37	325.38	-4.32	-46.69
CC1=NC2=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=CC=C2O1	REAL300020054271	0	32	-1.0	-44.21	292.78	-2.85	-47.06
CC1=NC2=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=CC=C2O1	REAL300020054271	1	32	-1.0	-44.21	292.84	-2.83	-47.04
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=C(C2=CC=CC=C2)N=C1	REAL300020054272	0	35	-1.0	-39.05	318.23	0.79	-38.26
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=C(C2=CC=CC=C2)N=C1	REAL300020054272	1	35	-1.0	-39.05	318.17	0.77	-38.28
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300020054273	0	39	-1.0	-42.09	357.99	-2.65	-44.74
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300020054273	1	39	-1.0	-42.05	358.05	-2.64	-44.69
O=C([N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054274	0	35	-2.0	-92.68	347.67	1.91	-90.77
O=C([N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054274	1	35	-2.0	-92.71	347.62	1.90	-90.81
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300020054274	1	36	-1.0	-40.59	350.26	3.03	-37.56
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300020054274	1	36	-1.0	-40.60	350.21	3.02	-37.58
COC(=O)C1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CN1C	REAL300020054275	0	34	-1.0	-46.91	307.54	-0.35	-47.26
COC(=O)C1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CN1C	REAL300020054275	1	34	-1.0	-46.91	307.60	-0.33	-47.24
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1NS(C)(=O)=O	REAL300020054276	0	39	-1.0	-46.57	350.86	-4.43	-51.00
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1NS(C)(=O)=O	REAL300020054276	1	39	-1.0	-46.58	350.91	-4.42	-51.00
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1[N-]S(C)(=O)=O	REAL300020054276	1	38	-2.0	-100.12	348.57	-4.37	-104.49
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1[N-]S(C)(=O)=O	REAL300020054276	1	38	-2.0	-100.16	348.62	-4.35	-104.51
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(C2=NNC=C2)C=C1	REAL300020054277	0	34	-1.0	-40.29	307.86	-0.48	-40.77
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(C2=NNC=C2)C=C1	REAL300020054277	1	34	-1.0	-40.30	307.92	-0.47	-40.77
CS(=O)(=O)NC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL300020054278	0	35	-1.0	-41.91	336.77	-3.22	-45.13
CS(=O)(=O)NC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL300020054278	1	35	-1.0	-41.89	336.82	-3.21	-45.10
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1NS(C)(=O)=O	REAL300020054279	0	38	-1.0	-43.65	340.11	-3.03	-46.68
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1NS(C)(=O)=O	REAL300020054279	1	38	-1.0	-43.67	340.16	-3.01	-46.68
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054280	0	35	-1.0	-36.31	307.97	1.58	-34.73
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054280	1	35	-1.0	-36.34	308.03	1.59	-34.75
CC1=NN(C(C)C)C(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054281	0	39	-1.0	-40.77	335.95	-0.18	-40.95
CC1=NN(C(C)C)C(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054281	1	39	-1.0	-40.77	336.02	-0.17	-40.94
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CN=C1Br	REAL300020054282	0	26	-1.0	-35.79	262.10	-1.61	-37.40
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CN=C1Br	REAL300020054282	1	26	-1.0	-35.76	262.04	-1.62	-37.38
CS(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054283	0	32	-1.0	-50.98	300.94	-1.90	-52.88
CS(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054283	1	32	-1.0	-50.96	300.99	-1.88	-52.84
COC(=O)C1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C(C)N1	REAL300020054284	0	34	-1.0	-40.80	307.12	-1.43	-42.23
COC(=O)C1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C(C)N1	REAL300020054284	1	34	-1.0	-40.77	307.18	-1.42	-42.19
CC1=NN(C(F)F)C(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054285	0	33	-1.0	-40.72	307.32	-1.58	-42.30
CC1=NN(C(F)F)C(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054285	1	33	-1.0	-40.71	307.38	-1.56	-42.27
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(Br)=N1	REAL300020054286	0	29	-1.0	-35.67	283.65	-1.01	-36.68
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(Br)=N1	REAL300020054286	1	29	-1.0	-35.64	283.71	-1.00	-36.64
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(Cl)=N1	REAL300020054287	0	30	-1.0	-34.83	291.01	-3.22	-38.05
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(Cl)=N1	REAL300020054287	1	30	-1.0	-34.80	290.96	-3.24	-38.04
CC(C)N1C=C2C=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=CC2=N1	REAL300020054288	0	39	-1.0	-43.27	338.18	0.89	-42.38
CC(C)N1C=C2C=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=CC2=N1	REAL300020054288	1	39	-1.0	-43.25	338.12	0.88	-42.37
CC1=CC(Br)=NC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054289	0	29	-1.0	-37.70	283.20	-0.97	-38.67
CC1=CC(Br)=NC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054289	1	29	-1.0	-37.70	283.26	-0.96	-38.66
C#CC1=CC(F)=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL300020054290	0	29	-1.0	-38.98	293.02	0.93	-38.05
C#CC1=CC(F)=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL300020054290	1	29	-1.0	-38.99	293.07	0.94	-38.05
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)NCC1=NN=N[N-]1	REAL300020054291	0	32	-2.0	-87.08	308.90	-0.23	-87.31
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)NCC1=N[N-]N=N1	REAL300020054291	1	32	-2.0	-87.11	308.84	-0.25	-87.36
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(C2=CC=CC=C2)=NS1	REAL300020054291	1	33	-1.0	-38.16	311.49	0.88	-37.28
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(C2=CC=CC=C2)=NS1	REAL300020054291	1	33	-1.0	-38.19	311.43	0.86	-37.33
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(S(=O)C(F)(F)F)C=C1	REAL300020054292	0	32	-1.0	-47.47	320.60	-1.32	-48.79
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(S(=O)C(F)(F)F)C=C1	REAL300020054292	1	32	-1.0	-47.44	320.66	-1.30	-48.74
CC1=NN=C(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)O1	REAL300020054293	0	35	-1.0	-42.30	321.89	-3.86	-46.16
CC1=NN=C(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)O1	REAL300020054293	1	35	-1.0	-42.28	321.94	-3.84	-46.12
CC(C)(C)N1C=C(C#N)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054294	0	37	-1.0	-43.25	334.40	0.92	-42.33
CC(C)(C)N1C=C(C#N)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054294	1	37	-1.0	-43.28	334.35	0.91	-42.37
CC(C)N1C=C(C#N)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054295	0	34	-1.0	-43.08	314.71	0.29	-42.79
CC(C)N1C=C(C#N)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054295	1	34	-1.0	-43.02	314.65	0.28	-42.74
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300020054296	0	40	-1.0	-43.99	350.46	-1.35	-45.34
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300020054296	1	40	-1.0	-43.98	350.51	-1.35	-45.33
CC1CCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020054297	0	45	-1.0	-36.73	362.53	1.37	-35.36
CC1CCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020054297	1	45	-1.0	-36.71	362.59	1.38	-35.33
CN(C)C(=O)CN1C=NC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054298	0	36	-1.0	-54.13	325.50	1.12	-53.01
CN(C)C(=O)CN1C=NC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054298	1	36	-1.0	-54.17	325.44	1.10	-53.07
CS(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1F	REAL300020054299	0	32	-1.0	-55.46	305.76	-1.74	-57.20
CS(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1F	REAL300020054299	1	32	-1.0	-55.45	305.83	-1.72	-57.17
NC(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL300020054300	0	31	-1.0	-39.29	289.05	-3.59	-42.88
NC(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL300020054300	1	31	-1.0	-39.29	289.11	-3.58	-42.87
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CNN=C1C1=CC=CC=N1	REAL300020054301	0	33	-1.0	-39.43	301.42	-1.81	-41.24
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CNN=C1C1=CC=CC=N1	REAL300020054301	1	33	-1.0	-39.42	301.48	-1.79	-41.21
CCC1=NN=C(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)O1	REAL300020054302	0	38	-1.0	-41.71	343.37	-3.10	-44.81
CCC1=NN=C(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)O1	REAL300020054302	1	38	-1.0	-41.72	343.43	-3.09	-44.81
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(Br)=N1	REAL300020054303	0	30	-1.0	-34.69	295.18	-3.11	-37.80
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(Br)=N1	REAL300020054303	1	30	-1.0	-34.68	295.12	-3.13	-37.81
COC(=O)C1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC(S(C)(=O)=O)=C1	REAL300020054304	0	39	-1.0	-46.87	364.20	-2.31	-49.18
COC(=O)C1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC(S(C)(=O)=O)=C1	REAL300020054304	1	39	-1.0	-46.84	364.26	-2.30	-49.14
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C2NC(C(F)F)=NC2=C1	REAL300020054305	0	33	-1.0	-43.35	309.98	-0.86	-44.21
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C2NC(C(F)F)=NC2=C1	REAL300020054305	1	33	-1.0	-43.33	310.04	-0.84	-44.17
CCOC(=O)C1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CN1C	REAL300020054306	0	37	-1.0	-46.69	329.40	0.58	-46.11
CCOC(=O)C1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CN1C	REAL300020054306	1	37	-1.0	-46.70	329.46	0.60	-46.10
CN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C(Br)C1=O	REAL300020054307	0	30	-1.0	-43.74	297.60	-1.08	-44.82
CN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C(Br)C1=O	REAL300020054307	1	30	-1.0	-43.78	297.66	-1.07	-44.85
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020054308	0	41	-1.0	-39.55	360.28	2.79	-36.76
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020054308	1	41	-1.0	-39.54	360.34	2.80	-36.74
CN1C=NN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)C1=O	REAL300020054309	0	37	-1.0	-46.38	332.12	1.75	-44.63
CN1C=NN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)C1=O	REAL300020054309	1	37	-1.0	-46.35	332.18	1.77	-44.58
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020054310	0	51	0.0	-64.43	395.19	1.77	-62.66
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020054310	1	51	0.0	-64.41	395.24	1.78	-62.63
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1NC1=CC=C(F)C=C1F	REAL300020054311	0	39	-1.0	-37.19	351.54	2.33	-34.86
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1NC1=CC=C(F)C=C1F	REAL300020054311	1	39	-1.0	-37.19	351.60	2.34	-34.85
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300020054312	0	34	-1.0	-38.77	340.71	2.90	-35.87
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300020054312	1	34	-1.0	-38.79	340.66	2.88	-35.91
O=C(NCC1=N[N-]N=N1)C(=O)NC1=C(F)C=C(Cl)C=C1F	REAL300020054313	0	27	-1.0	-36.60	282.51	0.25	-36.35
O=C(NCC1=NN=N[N-]1)C(=O)NC1=C(F)C=C(Cl)C=C1F	REAL300020054313	1	27	-1.0	-36.58	282.57	0.26	-36.32
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020054314	0	37	-1.0	-39.93	325.69	2.04	-37.89
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020054314	1	37	-1.0	-39.95	325.75	2.06	-37.89
CC1=CC=C(CN2C=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C2=O)C=C1	REAL300020054315	0	43	-1.0	-54.69	377.26	3.74	-50.95
CC1=CC=C(CN2C=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C2=O)C=C1	REAL300020054315	1	43	-1.0	-54.68	377.31	3.75	-50.93
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=NN1CCC#N	REAL300020054316	0	34	-1.0	-42.02	312.89	0.06	-41.96
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=NN1CCC#N	REAL300020054316	1	34	-1.0	-42.02	312.95	0.07	-41.95
COC(=O)CCSC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054317	0	40	-1.0	-41.01	365.87	2.21	-38.80
COC(=O)CCSC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054317	1	40	-1.0	-41.01	365.92	2.22	-38.79
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020054318	0	30	-1.0	-34.80	297.59	1.18	-33.62
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020054318	1	30	-1.0	-34.82	297.65	1.19	-33.63
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN(C2=NC=CC=C2F)N=C1	REAL300020054319	0	33	-1.0	-44.05	309.30	0.08	-43.97
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN(C2=NC=CC=C2F)N=C1	REAL300020054319	1	33	-1.0	-44.05	309.24	0.06	-43.99
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(F)=C1I	REAL300020054320	0	27	-1.0	-34.88	279.38	0.79	-34.09
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(F)=C1I	REAL300020054320	1	27	-1.0	-34.89	279.44	0.80	-34.09
COC(=O)C1=CSC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C	REAL300020054321	0	33	-1.0	-36.33	309.46	-0.14	-36.47
COC(=O)C1=CSC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C	REAL300020054321	1	33	-1.0	-36.31	309.51	-0.12	-36.43
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(C(F)(F)F)N=C1	REAL300020054322	0	29	-1.0	-35.40	283.42	-1.21	-36.61
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(C(F)(F)F)N=C1	REAL300020054322	1	29	-1.0	-35.40	283.36	-1.22	-36.62
CCC(C)N1N=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C1CC1	REAL300020054323	0	43	-1.0	-39.97	359.95	1.55	-38.42
CCC(C)N1N=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C1CC1	REAL300020054323	1	43	-1.0	-39.98	360.01	1.56	-38.42
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(C2=NC=CO2)=C1	REAL300020054324	0	33	-1.0	-42.41	304.93	-1.98	-44.39
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(C2=NC=CO2)=C1	REAL300020054324	1	33	-1.0	-42.40	304.87	-1.99	-44.39
O=C(NCC1=N[N-]N=N1)C(=O)NC1=C2CCCC2=NN1C1=CC=CC=C1	REAL300020054325	0	41	-1.0	-39.53	348.86	3.48	-36.05
O=C(NCC1=NN=N[N-]1)C(=O)NC1=C2CCCC2=NN1C1=CC=CC=C1	REAL300020054325	1	41	-1.0	-39.50	348.92	3.50	-36.00
CC1=NN(C2=CC=C(Cl)C=C2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054326	0	37	-1.0	-35.87	342.94	2.87	-33.00
CC1=NN(C2=CC=C(Cl)C=C2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054326	1	37	-1.0	-35.85	343.00	2.88	-32.97
CC1=CC=C(N2N=C(C(C)(C)C)C=C2NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054327	0	49	-1.0	-37.53	407.78	4.92	-32.61
CC1=CC=C(N2N=C(C(C)(C)C)C=C2NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054327	1	49	-1.0	-37.50	407.72	4.91	-32.59
CC1=CC=CC(N2N=C(C(C)(C)C)C=C2NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054328	0	49	-1.0	-37.73	407.71	4.91	-32.82
CC1=CC=CC(N2N=C(C(C)(C)C)C=C2NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054328	1	49	-1.0	-37.74	407.65	4.90	-32.84
CC1=CC=CC=C1N1N=C(C(C)(C)C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054329	0	49	-1.0	-37.71	406.63	5.05	-32.66
CC1=CC=CC=C1N1N=C(C(C)(C)C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054329	1	49	-1.0	-37.71	406.57	5.04	-32.67
CC1=NN(C2=CC=CC=C2F)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054330	0	37	-1.0	-40.35	334.39	2.38	-37.97
CC1=NN(C2=CC=CC=C2F)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054330	1	37	-1.0	-40.36	334.45	2.42	-37.94
CC(C)(C)CC1=NN(C2=CC=CC=C2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054331	0	49	-1.0	-37.31	402.55	5.07	-32.24
CC(C)(C)CC1=NN(C2=CC=CC=C2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054331	1	49	-1.0	-37.28	402.61	5.09	-32.19
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1C1=CC=CC(Cl)=C1	REAL300020054332	0	34	-1.0	-37.25	321.07	2.29	-34.96
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1C1=CC=CC(Cl)=C1	REAL300020054332	1	34	-1.0	-37.23	321.03	2.27	-34.96
CC1=CC=C(N2N=C(C(C)C)C=C2NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054333	0	46	-1.0	-37.45	387.72	4.31	-33.14
CC1=CC=C(N2N=C(C(C)C)C=C2NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054333	1	46	-1.0	-37.46	387.77	4.33	-33.13
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1C1=CC=C(Cl)C=C1	REAL300020054334	0	34	-1.0	-35.63	321.07	2.30	-33.33
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1C1=CC=C(Cl)C=C1	REAL300020054334	1	34	-1.0	-35.65	321.02	2.28	-33.37
CC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)N(C2=CC=CC=C2)N=C1	REAL300020054335	0	37	-1.0	-40.00	331.95	2.33	-37.67
CC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)N(C2=CC=CC=C2)N=C1	REAL300020054335	1	37	-1.0	-40.00	331.89	2.33	-37.67
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(CC2CC2)=NN1C1=CC=CC=C1	REAL300020054336	0	44	-1.0	-37.66	379.00	4.66	-33.00
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(CC2CC2)=NN1C1=CC=CC=C1	REAL300020054336	1	44	-1.0	-37.63	379.05	4.68	-32.95
CN(C)C1=NN=C(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)O1	REAL300020054337	0	40	-1.0	-42.91	358.20	-3.02	-45.93
CN(C)C1=NN=C(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)O1	REAL300020054337	1	40	-1.0	-42.92	358.25	-3.01	-45.93
CS(=O)(=O)CCN1C=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C1=O	REAL300020054338	0	39	-1.0	-62.92	360.29	-2.12	-65.04
CS(=O)(=O)CCN1C=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C1=O	REAL300020054338	1	39	-1.0	-62.94	360.35	-2.10	-65.04
CC(C)CN1N=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C(F)F	REAL300020054339	0	39	-1.0	-37.25	341.22	0.36	-36.89
CC(C)CN1N=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C(F)F	REAL300020054339	1	39	-1.0	-37.26	341.27	0.38	-36.88
COC1=CC(Br)=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054340	0	31	-1.0	-37.08	299.53	-0.58	-37.66
COC1=CC(Br)=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054340	1	31	-1.0	-37.06	299.58	-0.56	-37.62
CN1N=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C(F)F	REAL300020054341	0	30	-1.0	-41.20	282.66	-2.03	-43.23
CN1N=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C(F)F	REAL300020054341	1	30	-1.0	-41.20	282.72	-2.01	-43.21
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1CC1=CN(C2=CC=CC=C2)N=C1	REAL300020054342	0	44	-1.0	-40.79	389.77	3.26	-37.53
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1CC1=CN(C2=CC=CC=C2)N=C1	REAL300020054342	1	44	-1.0	-40.76	389.71	3.25	-37.51
CC(C)CCNS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054343	0	47	-1.0	-41.49	406.92	-1.42	-42.91
CC(C)CCNS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054343	1	47	-1.0	-41.55	406.98	-1.40	-42.95
COC1=CC=NC2=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=CC=C12	REAL300020054344	0	36	-1.0	-40.43	318.16	-0.56	-40.99
COC1=CC=NC2=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=CC=C12	REAL300020054344	1	36	-1.0	-40.42	318.11	-0.57	-40.99
CNC(=O)CN1N=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1C	REAL300020054345	0	37	-1.0	-48.72	330.62	-2.73	-51.45
CNC(=O)CN1N=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1C	REAL300020054345	1	37	-1.0	-48.77	330.68	-2.72	-51.49
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN=CC(Br)=C1	REAL300020054346	0	26	-1.0	-35.77	265.04	-1.64	-37.41
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN=CC(Br)=C1	REAL300020054346	1	26	-1.0	-35.73	264.99	-1.65	-37.38
CCOC(=O)CN1C=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C1=O	REAL300020054347	0	39	-1.0	-55.24	353.40	1.32	-53.92
CCOC(=O)CN1C=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C1=O	REAL300020054347	1	39	-1.0	-55.24	353.45	1.33	-53.91
COC(=O)C1=CC=C(N2C=C(C)C=N2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054348	0	43	-1.0	-49.70	377.83	2.69	-47.01
COC(=O)C1=CC=C(N2C=C(C)C=N2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054348	1	43	-1.0	-49.67	377.77	2.68	-46.99
CC(C)C1=CC(Br)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054349	0	36	-1.0	-34.83	327.07	2.28	-32.55
CC(C)C1=CC(Br)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054349	1	36	-1.0	-34.84	327.12	2.29	-32.55
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(F)=C(Br)C(F)=C1	REAL300020054350	0	27	-1.0	-34.81	281.44	0.21	-34.60
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(F)=C(Br)C(F)=C1	REAL300020054350	1	27	-1.0	-34.80	281.49	0.22	-34.58
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1C(=O)OC(C)(C)C	REAL300020054351	0	45	-1.0	-38.22	374.70	2.73	-35.49
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1C(=O)OC(C)(C)C	REAL300020054351	1	45	-1.0	-38.28	374.76	2.75	-35.53
CCC1=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=NN1CC(C)C	REAL300020054352	0	42	-1.0	-40.04	352.96	0.91	-39.13
CCC1=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=NN1CC(C)C	REAL300020054352	1	42	-1.0	-40.07	353.02	0.93	-39.14
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(C(=O)NCC2=CC=CC=C2)=C1	REAL300020054353	0	44	-1.0	-48.08	386.61	1.64	-46.44
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(C(=O)NCC2=CC=CC=C2)=C1	REAL300020054353	1	44	-1.0	-48.11	386.66	1.66	-46.45
CC1(C)CC(C)(C)C2=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL300020054354	0	46	-1.0	-37.87	368.42	3.34	-34.53
CC1(C)CC(C)(C)C2=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL300020054354	1	46	-1.0	-37.86	368.48	3.36	-34.50
COC1=CC=CC=C1COC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C	REAL300020054355	0	48	-1.0	-38.59	403.16	3.16	-35.43
COC1=CC=CC=C1COC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C	REAL300020054355	1	48	-1.0	-38.58	403.21	3.18	-35.40
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054356	0	36	-1.0	-45.16	322.68	-1.15	-46.31
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054356	1	36	-1.0	-45.15	322.62	-1.16	-46.31
CC1=CC=CC=C1N1N=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054357	0	37	-1.0	-37.52	324.64	2.61	-34.91
CC1=CC=CC=C1N1N=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054357	1	37	-1.0	-37.56	324.58	2.59	-34.97
CC1=NN(C2=CC=C(C#N)C=C2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1C	REAL300020054358	0	41	-1.0	-40.72	372.84	3.23	-37.49
CC1=NN(C2=CC=C(C#N)C=C2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1C	REAL300020054358	1	41	-1.0	-40.69	372.89	3.24	-37.45
COCCCS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054359	0	43	-1.0	-45.45	386.05	-2.20	-47.65
COCCCS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054359	1	43	-1.0	-45.45	386.10	-2.19	-47.64
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL300020054360	0	51	0.0	-57.59	395.60	1.77	-55.82
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL300020054360	1	51	0.0	-57.55	395.66	1.78	-55.77
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054361	0	40	-1.0	-37.70	347.61	3.03	-34.67
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054361	1	40	-1.0	-37.70	347.67	3.04	-34.66
CC1=NN(C2=CC=CC=C2C(F)(F)F)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054362	0	40	-1.0	-40.55	361.27	3.56	-36.99
CC1=NN(C2=CC=CC=C2C(F)(F)F)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054362	1	40	-1.0	-40.55	361.33	3.58	-36.97
CC1=NN(C2=CC=C(F)C=C2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054363	0	37	-1.0	-36.09	332.63	2.41	-33.68
CC1=NN(C2=CC=C(F)C=C2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054363	1	37	-1.0	-36.09	332.69	2.43	-33.66
CC1=NN(C2=CC=CC(Cl)=C2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054364	0	37	-1.0	-37.46	342.95	2.87	-34.59
CC1=NN(C2=CC=CC(Cl)=C2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054364	1	37	-1.0	-37.40	343.02	2.87	-34.53
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(C2CCCC2)=NN1C1=CC=CC=C1	REAL300020054365	0	47	-1.0	-37.74	388.75	4.85	-32.89
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(C2CCCC2)=NN1C1=CC=CC=C1	REAL300020054365	1	47	-1.0	-37.76	388.81	4.87	-32.89
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL300020054366	0	41	-1.0	-38.09	355.94	3.85	-34.24
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL300020054366	1	41	-1.0	-38.10	356.00	3.86	-34.24
CC1=NN(C2=CC=CC(C(F)(F)F)=C2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054367	0	40	-1.0	-37.32	365.23	3.36	-33.96
CC1=NN(C2=CC=CC(C(F)(F)F)=C2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054367	1	40	-1.0	-37.30	365.29	3.37	-33.93
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1C1=CC=CC=C1	REAL300020054368	0	34	-1.0	-37.63	304.34	1.78	-35.85
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1C1=CC=CC=C1	REAL300020054368	1	34	-1.0	-37.65	304.28	1.76	-35.89
CC1=CC=C(Br)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054369	0	30	-1.0	-36.02	289.27	0.94	-35.08
CC1=CC=C(Br)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054369	1	30	-1.0	-36.02	289.33	0.96	-35.06
CN1C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2N=C1C1CC1	REAL300020054370	0	40	-1.0	-41.51	348.21	2.19	-39.32
CN1C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2N=C1C1CC1	REAL300020054370	1	40	-1.0	-41.48	348.26	2.20	-39.28
CN1C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2N=C1C(C)(C)C	REAL300020054371	0	45	-1.0	-41.19	369.48	2.00	-39.19
CN1C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2N=C1C(C)(C)C	REAL300020054371	1	45	-1.0	-41.19	369.54	2.01	-39.18
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC2=C1OCCO2	REAL300020054372	0	33	-1.0	-38.52	292.46	-1.23	-39.75
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC2=C1OCCO2	REAL300020054372	1	33	-1.0	-38.50	292.52	-1.22	-39.72
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC2=C(C=C1Cl)OCO2	REAL300020054373	0	30	-1.0	-36.62	289.77	-1.21	-37.83
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC2=C(C=C1Cl)OCO2	REAL300020054373	1	30	-1.0	-36.56	289.83	-1.19	-37.75
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1	REAL300020054374	0	38	-1.0	-40.52	345.40	0.20	-40.32
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1	REAL300020054374	1	38	-1.0	-40.54	345.34	0.18	-40.36
CC1=CC(C(=O)N2CCOCC2)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054375	0	45	-1.0	-38.64	372.58	-0.15	-38.79
CC1=CC(C(=O)N2CCOCC2)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054375	1	45	-1.0	-38.69	372.64	-0.15	-38.84
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054376	0	39	-1.0	-38.30	336.06	1.95	-36.35
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054376	1	39	-1.0	-38.32	336.11	1.97	-36.35
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020054377	0	40	-1.0	-37.67	345.02	3.57	-34.10
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020054377	1	40	-1.0	-37.67	345.07	3.58	-34.09
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(Cl)C=C1OC(F)F	REAL300020054378	0	31	-1.0	-36.58	304.05	-0.30	-36.88
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(Cl)C=C1OC(F)F	REAL300020054378	1	31	-1.0	-36.61	304.11	-0.29	-36.90
O=C(COC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1)NC1=CC=CN=C1	REAL300020054379	0	44	-1.0	-50.11	388.39	0.34	-49.77
O=C(COC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1)NC1=CC=CN=C1	REAL300020054379	1	44	-1.0	-50.09	388.33	0.32	-49.77
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1NC(=O)CC[NH+](C)C	REAL300020054380	0	49	0.0	-71.50	400.62	1.32	-70.18
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1NC(=O)CC[NH+](C)C	REAL300020054380	1	49	0.0	-71.50	400.68	1.34	-70.16
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1N1CCC([NH+](C)C)C1	REAL300020054381	0	51	0.0	-63.88	404.65	2.41	-61.47
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1N1CCC([NH+](C)C)C1	REAL300020054381	1	51	0.0	-63.89	404.70	2.43	-61.46
CC1=NN(C2=CC=C(C(F)(F)F)C=N2)C(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054382	0	39	-1.0	-37.57	361.91	2.90	-34.67
CC1=NN(C2=CC=C(C(F)(F)F)C=N2)C(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054382	1	39	-1.0	-37.60	361.85	2.89	-34.71
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(C2CC2)=NN1C1=NC=CC=N1	REAL300020054383	0	39	-1.0	-43.26	346.75	4.04	-39.22
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(C2CC2)=NN1C1=NC=CC=N1	REAL300020054383	1	39	-1.0	-43.22	346.69	4.02	-39.20
CS(=O)CC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054384	0	35	-1.0	-42.21	320.80	-1.08	-43.29
CS(=O)CC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054384	1	35	-1.0	-42.23	320.85	-1.07	-43.30
COC1=CC(C#N)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054385	0	32	-1.0	-37.07	297.47	-0.69	-37.76
COC1=CC(C#N)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054385	1	32	-1.0	-37.10	297.53	-0.67	-37.77
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1OC(C)C	REAL300020054386	0	41	-1.0	-39.67	347.53	0.26	-39.41
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1OC(C)C	REAL300020054386	1	41	-1.0	-39.69	347.59	0.27	-39.42
CC1=CC(Cl)=CC(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054387	0	33	-1.0	-35.20	299.60	1.45	-33.75
CC1=CC(Cl)=CC(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054387	1	33	-1.0	-35.20	299.66	1.46	-33.74
CC1=CC(N(C)C)=CC(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054388	0	41	-1.0	-38.16	335.37	1.35	-36.81
CC1=CC(N(C)C)=CC(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054388	1	41	-1.0	-38.14	335.43	1.37	-36.77
CC1=CC(C(C)C)=CC(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054389	0	42	-1.0	-36.48	343.07	2.87	-33.61
CC1=CC(C(C)C)=CC(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054389	1	42	-1.0	-36.53	343.13	2.88	-33.65
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC(Br)=CC=C1C(F)F	REAL300020054390	0	30	-1.0	-37.64	297.56	1.36	-36.28
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC(Br)=CC=C1C(F)F	REAL300020054390	1	30	-1.0	-37.68	297.61	1.38	-36.30
CCNS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054391	0	38	-1.0	-41.88	346.36	-3.47	-45.35
CCNS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054391	1	38	-1.0	-41.97	346.41	-3.46	-45.43
CCN1C=NN=C1C1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054392	0	39	-1.0	-48.17	342.18	3.06	-45.11
CCN1C=NN=C1C1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054392	1	39	-1.0	-48.18	342.24	3.07	-45.11
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN(C2=CC=CC=C2)N=C1	REAL300020054393	0	33	-1.0	-37.28	303.58	0.20	-37.08
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN(C2=CC=CC=C2)N=C1	REAL300020054393	1	33	-1.0	-37.35	303.52	0.19	-37.16
CCOC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C2=NC=CC=C12	REAL300020054394	0	39	-1.0	-40.08	338.85	0.36	-39.72
CCOC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C2=NC=CC=C12	REAL300020054394	1	39	-1.0	-40.05	338.79	0.34	-39.71
CN(C)C(=O)C1=CC(F)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054395	0	37	-1.0	-40.13	328.27	-0.28	-40.41
CN(C)C(=O)C1=CC(F)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054395	1	37	-1.0	-40.14	328.33	-0.27	-40.41
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063202	0	38	-2.0	-91.29	314.20	3.21	-88.08
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CCC1	REAL300020063203	0	37	-2.0	-90.40	312.76	3.60	-86.80
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020063204	0	32	-2.0	-88.96	297.00	1.84	-87.12
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCC1	REAL300020063205	0	39	-2.0	-92.16	316.71	3.77	-88.39
O=C([O-])COCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CO1	REAL300020063206	0	36	-2.0	-107.65	333.70	-0.87	-108.52
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCO1	REAL300020063207	0	34	-2.0	-92.44	300.40	1.55	-90.89
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CC1	REAL300020063208	0	34	-2.0	-87.68	297.63	3.07	-84.61
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063209	0	38	-2.0	-90.96	313.78	2.98	-87.98
O=C([O-])C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300020063210	0	33	-2.0	-86.65	292.04	2.85	-83.80
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2CCC1C2	REAL300020063211	0	40	-2.0	-91.95	326.42	3.93	-88.02
O=C([O-])C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020063212	0	39	-2.0	-94.03	327.31	3.84	-90.19
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOCC1	REAL300020063213	0	37	-2.0	-86.25	309.76	1.33	-84.92
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063214	0	42	-2.0	-88.86	340.65	3.89	-84.97
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020063215	0	37	-2.0	-88.46	332.41	3.90	-84.56
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020063216	0	37	-2.0	-96.22	332.21	3.90	-92.32
COC(C)(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063217	0	33	-2.0	-87.41	287.03	1.58	-85.83
CC1(C)CC1(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063218	0	36	-2.0	-83.88	302.94	3.25	-80.63
O=C([O-])C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC1	REAL300020063219	0	39	-2.0	-90.62	322.05	3.96	-86.66
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCCC1	REAL300020063220	0	42	-2.0	-92.86	319.74	4.34	-88.52
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCSCC1	REAL300020063221	0	37	-2.0	-86.66	316.48	3.48	-83.18
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCS(=O)(=O)CC1	REAL300020063222	0	39	-2.0	-90.44	335.65	-0.20	-90.64
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063223	0	33	-2.0	-85.46	292.09	2.78	-82.68
O=C([O-])CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020063224	0	32	-2.0	-87.10	302.29	0.31	-86.79
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063225	0	33	-2.0	-99.73	301.69	1.49	-98.24
O=C([O-])CCC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CO1	REAL300020063226	0	40	-2.0	-96.95	342.58	2.31	-94.64
O=C([O-])C=CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300020063227	0	34	-2.0	-94.30	318.56	3.10	-91.20
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020063228	0	34	-2.0	-89.21	321.99	3.42	-85.79
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063229	0	33	-2.0	-104.24	293.19	2.60	-101.64
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020063230	0	36	-2.0	-97.43	325.08	3.32	-94.11
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063231	0	33	-2.0	-98.64	289.01	2.46	-96.18
O=C([O-])CN1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020063232	0	40	-2.0	-95.05	342.80	2.86	-92.19
O=C([O-])C12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)C2	REAL300020063233	0	34	-2.0	-87.67	304.38	3.20	-84.47
O=C([O-])C1=NNC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020063234	0	30	-2.0	-91.64	285.00	0.06	-91.58
O=C([O-])C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300020063234	1	30	-2.0	-82.86	286.21	-0.01	-82.87
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020063235	0	42	-2.0	-91.31	356.25	5.27	-86.04
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300020063236	0	36	-2.0	-87.71	305.60	3.21	-84.50
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020063237	0	39	-2.0	-98.53	327.26	3.83	-94.70
O=C([O-])C1CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020063238	0	31	-2.0	-94.33	283.98	4.99	-89.34
O=C([O-])C1CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020063238	1	31	-2.0	-94.42	283.88	4.99	-89.43
O=C([O-])CN1C=C(Br)C=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL300020063239	0	25	-2.0	-99.95	261.10	4.66	-95.29
O=C([O-])CN1C=C(Br)C=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL300020063239	1	25	-2.0	-100.00	261.00	4.66	-95.34
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1=NN=N[N-]1	REAL300020063240	0	21	-2.0	-111.95	232.90	4.02	-107.93
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1=N[N-]N=N1	REAL300020063240	1	21	-2.0	-111.91	233.00	4.01	-107.90
O=C([O-])C1=CC=C(C(=O)NC2=NN=N[N-]2)C(Br)=C1	REAL300020063241	0	22	-2.0	-86.92	232.07	4.99	-81.93
O=C([O-])C1=CC=C(C(=O)NC2=N[N-]N=N2)C(Br)=C1	REAL300020063241	1	22	-2.0	-86.90	232.16	4.98	-81.92
O=C([O-])C1=CC=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063242	0	35	-2.0	-96.10	320.80	5.59	-90.51
O=C([O-])C1=CC=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063242	1	35	-2.0	-96.13	320.86	5.58	-90.55
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063243	0	35	-2.0	-90.53	320.79	5.60	-84.93
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063243	1	35	-2.0	-90.49	320.85	5.59	-84.90
O=C([O-])C1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1C1=CC=CC=C1	REAL300020063244	0	44	-2.0	-92.10	388.29	6.16	-85.94
O=C([O-])C1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C1=CC=CC=C1	REAL300020063244	1	44	-2.0	-92.14	388.36	6.16	-85.98
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300020063245	0	34	-2.0	-86.30	318.26	3.84	-82.46
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300020063245	1	34	-2.0	-86.38	318.20	3.85	-82.53
CC(C)C(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063246	0	37	-2.0	-90.58	321.65	4.60	-85.98
CC(C)C(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063246	1	37	-2.0	-90.53	321.72	4.59	-85.94
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020063247	0	38	-2.0	-95.52	329.25	5.15	-90.37
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020063247	1	38	-2.0	-95.49	329.31	5.14	-90.35
O=C([O-])CCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063248	0	37	-2.0	-90.17	329.09	4.98	-85.19
O=C([O-])CCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063248	1	37	-2.0	-90.10	329.16	4.97	-85.13
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL300020063249	0	35	-2.0	-89.08	307.61	4.58	-84.50
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300020063249	1	35	-2.0	-89.02	307.67	4.57	-84.45
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063250	0	35	-2.0	-97.31	326.82	3.00	-94.31
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063250	1	35	-2.0	-97.31	326.76	3.01	-94.30
CCC(CC)(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063251	0	40	-2.0	-91.36	335.48	4.89	-86.47
CCC(CC)(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063251	1	40	-2.0	-91.31	335.54	4.89	-86.42
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CCC1	REAL300020063252	0	39	-2.0	-91.78	333.32	5.44	-86.34
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CCC1	REAL300020063252	1	39	-2.0	-91.72	333.38	5.43	-86.29
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020063253	0	34	-2.0	-92.55	316.73	3.81	-88.74
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020063253	1	34	-2.0	-92.56	316.67	3.82	-88.74
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300020063254	0	41	-2.0	-90.95	337.71	5.75	-85.20
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL300020063254	1	41	-2.0	-90.92	337.77	5.74	-85.18
O=C([O-])COCC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL300020063255	0	38	-2.0	-97.29	353.06	1.10	-96.19
O=C([O-])COCC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL300020063255	1	38	-2.0	-97.27	353.12	1.09	-96.18
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL300020063256	0	36	-2.0	-93.76	319.73	3.52	-90.24
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL300020063256	1	36	-2.0	-93.75	319.79	3.51	-90.24
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL300020063257	0	36	-2.0	-90.56	317.28	5.12	-85.44
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL300020063257	1	36	-2.0	-90.65	317.34	5.11	-85.54
CC(C)(C)C(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063258	0	40	-2.0	-89.31	331.83	4.98	-84.33
CC(C)(C)C(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063258	1	40	-2.0	-89.30	331.89	4.97	-84.33
O=C([O-])C(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL300020063259	0	35	-2.0	-88.79	311.69	4.91	-83.88
O=C([O-])C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL300020063259	1	35	-2.0	-88.72	311.75	4.90	-83.82
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL300020063260	0	42	-2.0	-94.51	345.91	5.92	-88.59
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL300020063260	1	42	-2.0	-94.48	345.97	5.91	-88.57
O=C([O-])C1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020063261	0	41	-2.0	-99.84	340.38	5.67	-94.17
O=C([O-])C1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020063261	1	41	-2.0	-99.82	340.44	5.67	-94.15
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300020063262	0	39	-2.0	-89.32	329.07	3.39	-85.93
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300020063262	1	39	-2.0	-89.33	329.13	3.38	-85.95
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063263	0	44	-2.0	-91.95	360.19	5.87	-86.08
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063263	1	44	-2.0	-91.97	360.26	5.86	-86.11
O=C([O-])COC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063264	0	39	-2.0	-89.84	351.80	5.88	-83.96
O=C([O-])COC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063264	1	39	-2.0	-89.80	351.86	5.87	-83.93
O=C([O-])COC1=CC=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063265	0	39	-2.0	-93.43	351.87	5.86	-87.57
O=C([O-])COC1=CC=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063265	1	39	-2.0	-93.38	351.93	5.86	-87.52
COC(C)(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063266	0	35	-2.0	-89.22	306.38	3.67	-85.55
COC(C)(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063266	1	35	-2.0	-89.23	306.44	3.66	-85.57
CC1(C)CC1(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063267	0	38	-2.0	-88.41	322.46	5.25	-83.16
CC1(C)CC1(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063267	1	38	-2.0	-88.38	322.52	5.24	-83.14
O=C([O-])C(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL300020063268	0	41	-2.0	-89.57	342.60	5.89	-83.68
O=C([O-])C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL300020063268	1	41	-2.0	-89.55	342.67	5.88	-83.67
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300020063269	0	44	-2.0	-92.64	342.74	6.62	-86.02
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300020063269	1	44	-2.0	-92.61	342.80	6.62	-85.99
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCSCC1	REAL300020063270	0	39	-2.0	-87.43	335.00	5.60	-81.83
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCSCC1	REAL300020063270	1	39	-2.0	-87.40	335.06	5.59	-81.81
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCS(=O)(=O)CC1	REAL300020063271	0	41	-2.0	-90.89	354.88	1.86	-89.03
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCS(=O)(=O)CC1	REAL300020063271	1	41	-2.0	-90.89	354.94	1.86	-89.03
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063272	0	35	-2.0	-89.26	311.56	4.76	-84.50
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063272	1	35	-2.0	-89.23	311.62	4.75	-84.48
O=C([O-])CN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020063273	0	34	-2.0	-91.30	321.95	2.25	-89.05
O=C([O-])CN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020063273	1	34	-2.0	-91.29	322.02	2.25	-89.04
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063274	0	35	-2.0	-95.56	323.30	3.24	-92.32
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063274	1	35	-2.0	-95.58	323.23	3.25	-92.33
O=C([O-])CCC1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020063275	0	42	-2.0	-91.55	362.23	4.28	-87.27
O=C([O-])CCC1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020063275	1	42	-2.0	-91.51	362.30	4.27	-87.24
O=C([O-])C=CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL300020063276	0	36	-2.0	-93.86	338.22	5.06	-88.80
O=C([O-])C=CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL300020063276	1	36	-2.0	-93.82	338.28	5.05	-88.77
O=C([O-])C1=CC=C(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020063277	0	36	-2.0	-93.19	341.40	5.39	-87.80
O=C([O-])C1=CC=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020063277	1	36	-2.0	-93.14	341.46	5.39	-87.75
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063278	0	35	-2.0	-94.98	312.69	4.56	-90.42
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063278	1	35	-2.0	-94.98	312.75	4.56	-90.42
O=C([O-])CN1C=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020063279	0	38	-2.0	-101.72	344.66	5.27	-96.45
O=C([O-])CN1C=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020063279	1	38	-2.0	-101.70	344.72	5.26	-96.44
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063280	0	35	-2.0	-96.57	309.36	4.45	-92.12
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063280	1	35	-2.0	-96.53	309.42	4.45	-92.08
O=C([O-])CN1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020063281	0	42	-2.0	-98.42	361.90	4.87	-93.55
O=C([O-])CN1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020063281	1	42	-2.0	-98.43	361.96	4.86	-93.57
O=C([O-])C12CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)C2	REAL300020063282	0	36	-2.0	-90.28	324.03	5.17	-85.11
O=C([O-])C12CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)C2	REAL300020063282	1	36	-2.0	-90.24	324.10	5.16	-85.08
O=C([O-])C1=NNC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063283	0	32	-2.0	-93.28	304.66	2.00	-91.28
O=C([O-])C1=NNC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063283	1	32	-2.0	-93.25	304.72	1.99	-91.26
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063284	0	44	-2.0	-90.75	373.88	7.22	-83.53
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063284	1	44	-2.0	-90.72	373.94	7.21	-83.51
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020063285	0	38	-2.0	-90.72	324.95	5.25	-85.47
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020063285	1	38	-2.0	-90.73	325.02	5.25	-85.48
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020063286	0	41	-2.0	-96.10	346.89	5.83	-90.27
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020063286	1	41	-2.0	-96.03	346.95	5.82	-90.21
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063287	0	32	-2.0	-102.63	294.94	5.46	-97.17
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063287	1	32	-2.0	-102.60	294.99	5.46	-97.14
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063288	0	32	-2.0	-90.65	294.95	5.47	-85.18
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063288	1	32	-2.0	-90.67	294.99	5.46	-85.21
O=C([O-])C1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1C1=CC=CC=C1	REAL300020063289	0	41	-2.0	-93.14	364.75	6.17	-86.97
O=C([O-])C1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C1=CC=CC=C1	REAL300020063289	1	41	-2.0	-93.13	364.81	6.17	-86.96
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300020063290	0	31	-2.0	-83.77	292.38	3.73	-80.04
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300020063290	1	31	-2.0	-83.81	292.33	3.74	-80.07
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020063291	0	35	-2.0	-102.91	302.58	5.05	-97.86
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020063291	1	35	-2.0	-102.90	302.62	5.04	-97.86
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063292	0	32	-2.0	-100.53	301.24	2.90	-97.63
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063292	1	32	-2.0	-100.51	301.20	2.91	-97.60
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063293	0	37	-2.0	-88.74	309.79	4.76	-83.98
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063293	1	37	-2.0	-88.69	309.83	4.75	-83.94
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CCC1	REAL300020063294	0	36	-2.0	-89.48	306.97	5.33	-84.15
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CCC1	REAL300020063294	1	36	-2.0	-89.50	307.01	5.33	-84.17
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020063295	0	31	-2.0	-91.11	290.88	3.68	-87.43
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020063295	1	31	-2.0	-91.11	290.83	3.69	-87.42
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300020063296	0	38	-2.0	-89.87	310.24	5.62	-84.25
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL300020063296	1	38	-2.0	-89.84	310.28	5.62	-84.22
O=C([O-])COCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL300020063297	0	35	-2.0	-103.84	327.23	0.98	-102.86
O=C([O-])COCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL300020063297	1	35	-2.0	-103.87	327.28	0.97	-102.90
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL300020063298	0	33	-2.0	-91.96	293.97	3.40	-88.56
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL300020063298	1	33	-2.0	-91.94	294.02	3.40	-88.54
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063299	0	37	-2.0	-88.75	307.25	4.81	-83.94
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063299	1	37	-2.0	-88.71	307.26	4.81	-83.90
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL300020063300	0	39	-2.0	-92.79	319.68	5.79	-87.00
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL300020063300	1	39	-2.0	-92.75	319.74	5.78	-86.97
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020063301	0	38	-2.0	-92.69	320.85	5.69	-87.00
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020063301	1	38	-2.0	-92.69	320.63	5.70	-86.99
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O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300020063302	1	36	-2.0	-87.14	303.07	3.20	-83.94
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063303	0	41	-2.0	-89.54	333.74	5.73	-83.81
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063303	1	41	-2.0	-89.56	333.75	5.73	-83.83
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063304	0	36	-2.0	-90.86	325.96	5.74	-85.12
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063304	1	36	-2.0	-90.87	326.01	5.74	-85.13
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063305	0	36	-2.0	-99.67	326.04	5.74	-93.93
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063305	1	36	-2.0	-99.65	326.08	5.74	-93.91
CC1(C)CC1(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063306	0	35	-2.0	-87.21	303.85	5.08	-82.13
CC1(C)CC1(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063306	1	35	-2.0	-87.26	303.89	5.07	-82.19
O=C([O-])C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL300020063307	0	38	-2.0	-89.37	316.56	5.77	-83.60
O=C([O-])C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL300020063307	1	38	-2.0	-89.38	316.58	5.76	-83.62
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300020063308	0	41	-2.0	-93.66	316.45	6.28	-87.38
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300020063308	1	41	-2.0	-93.63	316.49	6.28	-87.35
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCSCC1	REAL300020063309	0	36	-2.0	-87.84	309.80	5.34	-82.50
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCSCC1	REAL300020063309	1	36	-2.0	-87.80	309.88	5.33	-82.47
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCS(=O)(=O)CC1	REAL300020063310	0	38	-2.0	-89.81	329.21	1.64	-88.17
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCS(=O)(=O)CC1	REAL300020063310	1	38	-2.0	-89.82	329.25	1.64	-88.18
O=C([O-])CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020063311	0	31	-2.0	-88.45	295.81	2.15	-86.30
O=C([O-])CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020063311	1	31	-2.0	-88.40	296.14	2.13	-86.27
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063312	0	32	-2.0	-90.83	296.77	3.14	-87.69
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063312	1	32	-2.0	-90.88	296.73	3.15	-87.73
O=C([O-])CCC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020063313	0	39	-2.0	-94.95	336.38	4.15	-90.80
O=C([O-])CCC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020063313	1	39	-2.0	-95.09	336.15	4.16	-90.93
O=C([O-])C=CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL300020063314	0	33	-2.0	-97.17	312.10	4.95	-92.22
O=C([O-])C=CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL300020063314	1	33	-2.0	-97.21	312.14	4.93	-92.28
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020063315	0	33	-2.0	-90.89	315.52	5.28	-85.61
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020063315	1	33	-2.0	-90.91	315.56	5.28	-85.63
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020063316	0	35	-2.0	-96.91	318.60	5.16	-91.75
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020063316	1	35	-2.0	-96.89	318.65	5.17	-91.72
O=C([O-])CN1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020063317	0	39	-2.0	-102.51	335.69	4.67	-97.84
O=C([O-])CN1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020063317	1	39	-2.0	-102.49	335.73	4.66	-97.83
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063318	0	31	-2.0	-96.95	311.47	4.62	-92.33
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063318	1	31	-2.0	-96.97	311.42	4.62	-92.35
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063319	0	41	-2.0	-94.15	348.05	7.10	-87.05
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063319	1	41	-2.0	-94.18	348.09	7.09	-87.09
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020063320	0	35	-2.0	-88.62	298.88	5.08	-83.54
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020063320	1	35	-2.0	-88.64	298.92	5.07	-83.57
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020063321	0	38	-2.0	-102.00	320.80	5.68	-96.32
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020063321	1	38	-2.0	-101.93	320.86	5.67	-96.26
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(Br)=C1	REAL300020063322	0	32	-2.0	-89.40	311.15	6.08	-83.32
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(Br)=C1	REAL300020063322	1	32	-2.0	-89.41	311.19	6.07	-83.34
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020063323	0	38	-2.0	-93.26	333.75	4.48	-88.78
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020063323	1	38	-2.0	-93.20	333.80	4.50	-88.70
CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020063324	0	38	-2.0	-103.30	333.82	4.47	-98.83
CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020063324	1	38	-2.0	-103.31	333.88	4.48	-98.83
CCCC(NC(=O)C1COC(CCC(=O)[O-])C1)C1=N[N-]N=N1	REAL300020063325	0	41	-2.0	-97.91	344.19	2.87	-95.04
CCCC(NC(=O)C1COC(CCC(=O)[O-])C1)C1=NN=N[N-]1	REAL300020063325	1	41	-2.0	-97.94	344.25	2.89	-95.05
CCCC(NC(=O)C1=COC(C=CC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020063326	0	35	-2.0	-98.21	320.16	3.65	-94.56
CCCC(NC(=O)C1=COC(C=CC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020063326	1	35	-2.0	-98.22	320.22	3.67	-94.55
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020063327	0	35	-2.0	-94.75	323.35	4.00	-90.75
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020063327	1	35	-2.0	-94.75	323.40	4.01	-90.74
CCCC(NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020063328	0	37	-2.0	-105.21	326.54	3.88	-101.33
CCCC(NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020063328	1	37	-2.0	-105.20	326.60	3.90	-101.30
CCCC(NC(=O)C1=CC(Br)=CN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020063329	0	37	-2.0	-97.96	347.81	4.48	-93.48
CCCC(NC(=O)C1=CC(Br)=CN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020063329	1	37	-2.0	-97.97	347.87	4.50	-93.47
CCCC(NC(=O)C1CCCN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020063330	0	41	-2.0	-106.59	343.89	3.47	-103.12
CCCC(NC(=O)C1CCCN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020063330	1	41	-2.0	-106.59	343.95	3.48	-103.11
CCCC(NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020063331	0	43	-2.0	-96.12	355.83	5.81	-90.31
CCCC(NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020063331	1	43	-2.0	-96.15	355.89	5.82	-90.33
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL300020063332	0	34	-2.0	-91.72	318.95	4.81	-86.91
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL300020063332	1	34	-2.0	-91.74	319.01	4.83	-86.91
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063333	0	33	-2.0	-112.81	301.41	3.61	-109.20
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020063334	0	33	-2.0	-96.76	301.11	3.63	-93.13
O=C([O-])C1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1C1=CC=CC=C1	REAL300020063335	0	42	-2.0	-101.45	370.90	4.34	-97.11
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1	REAL300020063336	0	32	-2.0	-88.70	298.52	1.90	-86.80
CC(C)C(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063337	0	35	-2.0	-84.39	296.34	2.65	-81.74
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063338	0	36	-2.0	-96.56	308.47	3.20	-93.36
O=C([O-])CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063339	0	35	-2.0	-89.06	309.42	3.01	-86.05
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL300020063340	0	33	-2.0	-85.73	288.43	2.60	-83.13
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063341	0	33	-2.0	-97.25	295.73	2.24	-95.01
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063342	0	38	-2.0	-86.70	314.87	3.11	-83.59
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CCC1	REAL300020063343	0	37	-2.0	-93.03	313.48	3.55	-89.48
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020063344	0	32	-2.0	-96.52	297.29	1.83	-94.69
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCCC1	REAL300020063345	0	39	-2.0	-87.19	316.68	3.77	-83.42
O=C([O-])COCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CO1	REAL300020063346	0	36	-2.0	-117.57	333.66	-0.86	-118.43
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCO1	REAL300020063347	0	34	-2.0	-103.44	300.13	1.56	-101.88
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CC1	REAL300020063348	0	34	-2.0	-92.53	297.82	3.11	-89.42
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063349	0	38	-2.0	-89.15	312.32	2.97	-86.18
O=C([O-])C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL300020063350	0	33	-2.0	-98.53	296.89	2.84	-95.69
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2CCC1C2	REAL300020063351	0	40	-2.0	-89.73	325.59	3.91	-85.82
O=C([O-])C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020063352	0	39	-2.0	-98.97	327.06	3.85	-95.12
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOCC1	REAL300020063353	0	37	-2.0	-85.03	308.64	1.31	-83.72
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063354	0	42	-2.0	-103.00	340.94	3.90	-99.10
O=C([O-])COC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020063355	0	37	-2.0	-97.13	332.12	3.91	-93.22
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063356	0	37	-2.0	-109.09	332.50	3.89	-105.20
COC(C)(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063357	0	33	-2.0	-85.91	287.01	1.58	-84.33
CC1(C)CC1(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063358	0	36	-2.0	-85.35	302.68	3.26	-82.09
O=C([O-])C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC1	REAL300020063359	0	39	-2.0	-85.42	322.56	3.88	-81.54
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCCCC1	REAL300020063360	0	42	-2.0	-92.33	319.73	4.34	-87.99
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCSCC1	REAL300020063361	0	37	-2.0	-100.99	316.47	3.48	-97.51
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCS(=O)(=O)CC1	REAL300020063362	0	39	-2.0	-101.39	335.31	-0.20	-101.59
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063363	0	33	-2.0	-86.23	292.38	2.76	-83.47
O=C([O-])CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300020063364	0	32	-2.0	-92.57	302.56	0.30	-92.27
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063365	0	33	-2.0	-105.51	302.00	1.46	-104.05
O=C([O-])CCC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL300020063366	0	40	-2.0	-90.00	342.61	2.31	-87.69
O=C([O-])C=CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL300020063367	0	34	-2.0	-104.22	318.83	3.10	-101.12
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020063368	0	34	-2.0	-95.46	322.00	3.43	-92.03
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063369	0	33	-2.0	-93.34	293.18	2.60	-90.74
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300020063370	0	36	-2.0	-101.07	325.21	3.31	-97.76
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063371	0	33	-2.0	-114.22	288.44	2.53	-111.69
O=C([O-])CN1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300020063372	0	40	-2.0	-114.67	341.86	2.85	-111.82
O=C([O-])C12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)C2	REAL300020063373	0	34	-2.0	-86.78	304.35	3.20	-83.58
O=C([O-])C1=NNC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063374	0	30	-2.0	-101.73	285.29	0.04	-101.69
O=C([O-])C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300020063374	1	30	-2.0	-92.86	286.48	-0.02	-92.88
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020063375	0	42	-2.0	-101.27	355.96	5.29	-95.98
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL300020063376	0	36	-2.0	-99.80	303.27	3.31	-96.49
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063377	0	39	-2.0	-112.76	327.06	3.85	-108.91
O=C(C[NH2+]CC1CCCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063378	0	41	0.0	-75.18	334.96	0.60	-74.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC12CC2	REAL300020063379	0	38	0.0	-74.34	310.20	1.25	-73.09
[NH3+]C(CC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063380	0	40	0.0	-73.80	334.37	1.86	-71.94
[NH3+][C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020063381	0	37	0.0	-74.91	313.19	1.10	-73.81
N[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020063381	1	36	-1.0	-43.80	309.66	0.78	-43.02
[NH3+]CCCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063382	0	42	0.0	-79.89	343.01	1.23	-78.66
NC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020063383	0	36	-1.0	-45.92	312.40	1.62	-44.30
O=C(CC1CC[NH2+]CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063384	0	40	0.0	-71.63	315.76	1.60	-70.03
O=C(CNC1=CC=CC=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063385	0	36	-1.0	-47.42	310.48	2.02	-45.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CC[NH2+]CC2)N=N1	REAL300020063386	0	43	0.0	-82.28	353.79	0.22	-82.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN1C1CC[NH2+]CC1	REAL300020063387	0	45	0.0	-81.93	357.31	3.65	-78.28
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=NN1C1CC[NH2+]CC1	REAL300020063388	0	46	0.0	-81.10	371.75	0.94	-80.16
[NH3+]CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020063389	0	40	0.0	-84.15	331.30	1.62	-82.53
[NH3+]C(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020063390	0	43	0.0	-88.21	353.07	2.67	-85.54
NC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300020063391	0	33	-1.0	-43.22	293.21	1.03	-42.19
NCC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020063392	0	32	-1.0	-43.58	297.82	-2.24	-45.82
[NH3+]CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020063392	1	33	0.0	-87.01	301.30	-1.84	-88.85
O=C(CNCC(F)(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063393	0	32	-1.0	-51.19	294.65	-0.64	-51.83
NC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300020063394	0	33	-1.0	-51.04	300.18	1.44	-49.60
O=C(CN1CCNCC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063395	0	37	-1.0	-51.41	313.35	-1.76	-53.17
COC1=CC(N)=C(Cl)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063396	0	37	-1.0	-46.41	329.27	1.99	-44.42
[NH3+]CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020063397	0	34	0.0	-87.27	298.25	-0.70	-87.97
NCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020063397	1	33	-1.0	-45.64	294.79	-1.11	-46.75
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1=CC=CC=C1	REAL300020063398	0	43	0.0	-74.18	351.96	2.74	-71.44
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C([NH3+])C1=CC=CC=C1	REAL300020063399	0	43	0.0	-66.50	346.34	2.46	-64.04
O=C(CC1C[NH2+]CCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063400	0	38	0.0	-78.84	310.04	0.13	-78.71
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300020063401	0	40	0.0	-77.18	313.21	0.53	-76.65
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[NH2+]C1	REAL300020063402	0	46	0.0	-82.90	350.69	2.69	-80.21
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]CC1	REAL300020063403	0	46	0.0	-78.29	350.88	2.73	-75.56
O=C(CC1CC2CCC(C1)[NH2+]2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063404	0	44	0.0	-70.22	333.28	2.39	-67.83
[NH3+]CCCN1C=CC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020063405	0	47	0.0	-89.49	389.19	3.87	-85.62
O=C(CC1CSCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063406	0	38	0.0	-67.95	315.40	1.65	-66.30
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020063407	0	40	0.0	-69.90	330.78	1.99	-67.91
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]C1	REAL300020063408	0	40	0.0	-75.86	315.86	1.21	-74.65
[NH3+][C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063409	0	44	0.0	-73.74	364.37	1.92	-71.82
N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063409	1	43	-1.0	-46.53	361.11	1.61	-44.92
O=C(CCC1CC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063410	0	40	0.0	-72.07	321.69	1.65	-70.42
O=C(CC[C@@H]1CCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063411	0	40	0.0	-77.60	322.52	1.80	-75.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CC[NH2+]CC2	REAL300020063412	0	41	0.0	-71.48	324.92	2.25	-69.23
CC1([NH3+])CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063413	0	43	0.0	-65.36	322.26	1.03	-64.33
O=C(CCC1CC[NH2+]CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063414	0	43	0.0	-74.90	337.91	2.32	-72.58
O=C(COCC1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063415	0	44	0.0	-77.71	353.75	1.95	-75.76
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC[NH2+]1	REAL300020063416	0	40	0.0	-74.68	308.72	1.80	-72.88
O=C(CCNC(=O)C1CCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063417	0	44	0.0	-79.47	360.23	-0.56	-80.03
[NH3+]CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCC1	REAL300020063418	0	46	0.0	-88.49	337.79	1.69	-86.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2C[NH2+]CC(C1)C2=O	REAL300020063419	0	43	0.0	-95.87	333.80	1.96	-93.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2NCCC2=C1	REAL300020063420	0	37	-1.0	-45.13	312.65	2.25	-42.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1CCCN2	REAL300020063421	0	40	-1.0	-44.08	325.30	3.03	-41.05
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CC[NH2+]C2	REAL300020063422	0	38	0.0	-75.13	308.89	1.53	-73.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2CC[NH2+]CC2=C1	REAL300020063423	0	41	0.0	-77.91	333.65	3.14	-74.77
[NH3+]CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300020063424	0	34	0.0	-82.00	297.40	-0.73	-82.73
NCC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300020063424	1	33	-1.0	-46.52	293.93	-1.14	-47.66
CCOC1CC([NH3+])(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1(C)C	REAL300020063425	0	47	0.0	-69.60	364.77	0.94	-68.66
CCOC1CC(N)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1(C)C	REAL300020063425	1	46	-1.0	-44.12	360.36	0.73	-43.39
CC1=CC(C([NH3+])CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(Cl)=N1	REAL300020063426	0	42	0.0	-77.89	364.32	1.25	-76.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC(C2CC[NH2+]C2)=C1	REAL300020063427	0	41	0.0	-81.95	339.79	0.27	-81.68
NC1=CC=CC=C1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063428	0	39	-1.0	-46.59	330.70	2.50	-44.09
NC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1	REAL300020063429	0	35	-1.0	-54.32	306.17	-0.02	-54.34
CC1=CC=C(N)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063430	0	36	-1.0	-47.06	303.64	1.62	-45.44
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]CC1	REAL300020063431	0	44	0.0	-72.57	339.40	0.93	-71.64
O=C(CC1COCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063432	0	38	0.0	-68.37	307.12	-0.52	-68.89
O=C(CC1COCCN1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063432	1	37	-1.0	-46.90	306.29	-1.63	-48.53
CCC1[NH2+]CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063433	0	40	0.0	-76.19	315.31	1.62	-74.57
O=C(CCC1CCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063434	0	40	0.0	-75.46	322.18	1.88	-73.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(CC2CCC[NH2+]2)N=N1	REAL300020063435	0	43	0.0	-70.06	356.08	0.73	-69.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL300020063436	0	44	0.0	-82.23	350.89	3.35	-78.88
NC1=CC=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020063437	0	36	-1.0	-49.64	312.68	1.60	-48.04
NC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(O)=C1	REAL300020063438	0	34	-1.0	-51.06	296.42	-0.62	-51.68
CC1[NH2+]CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063439	0	40	0.0	-63.24	307.17	1.70	-61.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCC1[NH2+]C2	REAL300020063440	0	41	0.0	-60.87	314.43	2.07	-58.80
NC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)C=CC=C1F	REAL300020063441	0	36	-1.0	-47.71	318.93	0.89	-46.82
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]C1	REAL300020063442	0	41	0.0	-75.32	327.17	0.24	-75.08
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C([NH3+])C1=CC=CC=C1	REAL300020063443	0	46	0.0	-63.69	355.82	2.88	-60.81
NC1=CC=C(CC2=NC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CS2)C=C1	REAL300020063444	0	42	-1.0	-44.23	378.35	2.43	-41.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020063445	0	44	0.0	-79.97	357.74	1.64	-78.33
[NH3+]CCCCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020063446	0	42	0.0	-81.64	357.76	-0.83	-82.47
[NH3+]CCCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020063447	0	39	0.0	-82.76	336.26	-1.62	-84.38
[NH3+]C(CC1CCCCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063448	0	46	0.0	-77.73	352.34	2.32	-75.41
NC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC=N1	REAL300020063449	0	32	-1.0	-48.94	297.55	-2.32	-51.26
CC(C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)[NH3+]	REAL300020063450	0	42	0.0	-70.52	325.52	0.78	-69.74
CC([NH3+])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020063451	0	40	0.0	-85.11	331.47	1.80	-83.31
[NH3+]C(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1CCCCC1	REAL300020063452	0	52	0.0	-89.10	394.93	3.38	-85.72
N#CCCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063453	0	37	0.0	-86.94	317.37	0.14	-86.80
COC1=CC=CC(NCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020063454	0	40	-1.0	-50.32	339.96	1.32	-49.00
[NH3+][C@@H]1CCC[C@H]1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063455	0	40	0.0	-81.89	318.97	0.60	-81.29
O=C(CC1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063456	0	40	0.0	-78.34	315.50	1.59	-76.75
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CCC[NH2+]C2	REAL300020063457	0	41	0.0	-82.13	328.14	2.08	-80.05
N#CCCCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063458	0	40	0.0	-89.65	338.87	0.92	-88.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(C2CC2)[NH2+]1	REAL300020063459	0	41	0.0	-67.07	332.66	2.46	-64.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC2=CC=CC=C21	REAL300020063460	0	41	0.0	-84.74	334.80	2.78	-81.96
C[NH+](C)CCC(N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063461	0	41	0.0	-78.39	329.88	-0.18	-78.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020063462	0	38	0.0	-79.00	326.65	2.32	-76.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCNC2)S1	REAL300020063462	1	37	-1.0	-42.78	323.96	0.98	-41.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(C[NH2+]C2)S1	REAL300020063463	0	35	0.0	-80.86	309.35	1.48	-79.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CNC2)S1	REAL300020063463	1	34	-1.0	-42.68	305.87	-0.01	-42.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=NN1C1CC[NH2+]CC1	REAL300020063464	0	43	0.0	-72.22	349.72	0.45	-71.77
NC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1Br	REAL300020063465	0	36	-1.0	-44.42	322.90	1.39	-43.03
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1Br	REAL300020063465	1	37	0.0	-70.80	324.23	1.81	-68.99
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300020063466	0	47	0.0	-76.92	369.07	3.35	-73.57
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063467	0	45	0.0	-75.76	345.26	1.49	-74.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020063468	0	41	0.0	-73.97	336.15	0.20	-73.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNN=C1C1CC[NH2+]C1	REAL300020063468	1	41	0.0	-68.73	336.08	0.23	-68.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC[NH2+]C1	REAL300020063469	0	40	0.0	-72.68	307.89	1.39	-71.29
CC(C)OC[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063470	0	40	0.0	-71.22	331.61	-1.10	-72.32
CC(C)OC[C@H](N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063470	1	39	-1.0	-45.90	328.47	-1.44	-47.34
NC1=CC=CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300020063471	0	36	-1.0	-45.59	324.30	2.11	-43.48
[NH3+]CCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020063472	0	36	0.0	-85.75	314.76	-2.39	-88.14
O=C(CC1[NH2+]CC2=CC=CC=C21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063473	0	41	0.0	-65.15	337.27	3.25	-61.90
CNC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1Cl	REAL300020063474	0	39	-1.0	-43.30	357.78	2.92	-40.38
C[NH2+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1Cl	REAL300020063474	1	40	0.0	-70.52	353.32	4.11	-66.41
[NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063475	0	38	0.0	-86.36	304.74	-0.50	-86.86
O=C(CCC1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063476	0	43	0.0	-73.27	337.92	2.30	-70.97
[NH3+]C(CC1=NC=CC=N1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063477	0	38	0.0	-69.79	325.21	-0.90	-70.69
NC(CC1=NC=CC=N1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063477	1	37	-1.0	-49.12	322.20	-1.26	-50.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020063478	0	43	0.0	-74.85	353.50	1.86	-72.99
[NH3+][C@H]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020063479	0	40	0.0	-81.18	317.67	0.55	-80.63
COC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]CC1	REAL300020063480	0	41	0.0	-71.30	318.02	-0.49	-71.79
[NH3+]C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020063481	0	40	0.0	-69.42	311.13	0.40	-69.02
NC1=CC=C(Cl)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020063482	0	33	-1.0	-45.73	300.29	1.45	-44.28
CC(N)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020063483	0	41	-1.0	-47.66	352.43	2.09	-45.57
CC([NH3+])(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020063483	1	42	0.0	-91.18	353.60	2.46	-88.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020063484	0	43	0.0	-79.89	362.57	1.59	-78.30
[NH3+][C@@H]1CCC[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020063485	0	40	0.0	-69.85	311.13	0.37	-69.48
O=C(CC[NH2+]CC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063486	0	40	0.0	-75.48	331.84	2.38	-73.10
O=C(CCC12CC(C1)C[NH2+]2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063487	0	41	0.0	-75.99	330.11	2.13	-73.86
CNC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020063488	0	36	-1.0	-44.26	307.68	1.84	-42.42
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063489	0	44	0.0	-75.92	366.92	1.87	-74.05
N[C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063489	1	43	-1.0	-44.08	365.94	1.59	-42.49
O=C(CO[C@@H]1CC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063490	0	38	0.0	-76.67	315.37	0.56	-76.11
CC(C)(CCl)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020063491	0	36	-1.0	-43.13	312.84	3.82	-39.31
CC(C)(CCl)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020063491	1	36	-1.0	-43.14	312.90	3.84	-39.30
O=C(CCl)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020063492	0	23	-1.0	-40.94	248.05	3.04	-37.90
O=C(CCl)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020063492	1	23	-1.0	-40.91	248.11	3.03	-37.88
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020063493	0	23	-1.0	-35.04	251.29	2.80	-32.24
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020063493	1	23	-1.0	-34.98	251.36	2.79	-32.19
CC(C)(CCl)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020063494	0	32	-1.0	-37.11	303.34	4.91	-32.20
CC(C)(CCl)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020063494	1	32	-1.0	-37.09	303.40	4.90	-32.19
CC(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020063495	0	29	-1.0	-39.31	271.76	3.86	-35.45
CC(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020063495	1	29	-1.0	-39.29	271.82	3.85	-35.44
CC(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020063496	0	29	-1.0	-39.31	271.76	3.86	-35.45
CC(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020063496	1	29	-1.0	-39.29	271.82	3.85	-35.44
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CCOC1	REAL300020063497	0	31	-1.0	-41.19	286.17	2.53	-38.66
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCOC1	REAL300020063497	1	31	-1.0	-41.18	286.24	2.52	-38.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063498	0	29	-2.0	-100.44	292.12	2.63	-97.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063498	1	29	-2.0	-100.37	292.18	2.63	-97.74
C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063499	0	41	-1.0	-105.94	369.57	4.74	-101.20
C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063499	1	41	-1.0	-105.91	369.63	4.74	-101.17
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063499	1	40	-2.0	-100.10	367.07	2.28	-97.82
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063499	1	40	-2.0	-100.06	367.12	2.27	-97.79
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063500	0	32	-2.0	-95.03	306.84	1.84	-93.19
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063500	1	32	-2.0	-95.04	306.90	1.82	-93.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063501	0	36	-2.0	-103.78	341.93	2.64	-101.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063501	1	36	-2.0	-103.71	341.99	2.63	-101.08
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063502	0	36	-2.0	-93.85	330.76	4.05	-89.80
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063502	1	36	-2.0	-93.77	330.81	4.05	-89.72
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063503	0	26	-2.0	-92.30	271.52	0.61	-91.69
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063503	1	26	-2.0	-92.26	271.58	0.60	-91.66
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCC1	REAL300020063504	0	36	-2.0	-114.88	320.39	3.38	-111.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCC1	REAL300020063504	1	36	-2.0	-114.82	320.45	3.37	-111.45
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C=C1	REAL300020063505	0	36	-2.0	-95.71	352.83	4.14	-91.57
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C=C1	REAL300020063505	1	36	-2.0	-95.68	352.89	4.13	-91.55
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063506	0	33	-2.0	-115.76	306.98	3.11	-112.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063506	1	33	-2.0	-115.77	307.03	3.10	-112.67
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCO1	REAL300020063507	0	34	-2.0	-90.21	323.70	2.53	-87.68
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCO1	REAL300020063507	1	34	-2.0	-90.16	323.76	2.52	-87.64
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063508	0	32	-2.0	-95.49	306.26	2.88	-92.61
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063508	1	32	-2.0	-95.45	306.32	2.87	-92.58
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063509	0	35	-2.0	-95.46	327.51	2.59	-92.87
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063509	1	35	-2.0	-95.43	327.56	2.59	-92.84
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063510	0	38	-2.0	-103.28	352.80	3.44	-99.84
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063510	1	38	-2.0	-103.22	352.86	3.43	-99.79
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063511	0	32	-2.0	-88.13	311.03	3.04	-85.09
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063511	1	32	-2.0	-88.12	311.09	3.03	-85.09
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063512	0	38	-2.0	-91.23	349.40	3.22	-88.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063512	1	38	-2.0	-91.16	349.46	3.22	-87.94
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063513	0	35	-2.0	-91.47	330.98	2.60	-88.87
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063513	1	35	-2.0	-91.48	331.04	2.58	-88.90
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063514	0	29	-2.0	-89.53	288.99	1.15	-88.38
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063514	1	29	-2.0	-89.49	289.04	1.14	-88.35
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063515	0	29	-2.0	-93.77	290.98	1.23	-92.54
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063515	1	29	-2.0	-93.77	291.04	1.22	-92.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063516	0	38	-2.0	-102.67	342.49	3.14	-99.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063516	1	38	-2.0	-102.65	342.55	3.13	-99.52
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063517	0	38	-2.0	-104.04	357.46	3.67	-100.37
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063517	1	38	-2.0	-103.96	357.51	3.66	-100.30
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063518	0	35	-2.0	-101.88	333.69	2.86	-99.02
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063518	1	35	-2.0	-101.88	333.75	2.85	-99.03
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063519	0	36	-2.0	-92.49	319.07	4.74	-87.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063519	1	36	-2.0	-92.48	319.13	4.74	-87.74
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=C1	REAL300020063520	0	36	-2.0	-98.23	352.84	4.13	-94.10
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=C1	REAL300020063520	1	36	-2.0	-98.15	352.90	4.12	-94.03
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063521	0	35	-2.0	-101.74	324.03	2.51	-99.23
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063521	1	35	-2.0	-101.70	324.09	2.50	-99.20
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063522	0	38	-2.0	-95.44	358.07	3.60	-91.84
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063522	1	38	-2.0	-95.41	358.13	3.59	-91.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063523	0	29	-2.0	-100.44	292.12	2.63	-97.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063523	1	29	-2.0	-100.37	292.18	2.63	-97.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063524	0	34	-2.0	-89.45	311.01	2.38	-87.07
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063524	1	34	-2.0	-89.38	311.05	2.38	-87.00
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063525	0	33	-2.0	-118.13	310.71	3.20	-114.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063525	1	33	-2.0	-118.11	310.76	3.20	-114.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063526	0	36	-2.0	-89.36	336.23	3.67	-85.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063526	1	36	-2.0	-89.33	336.29	3.66	-85.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063527	0	36	-2.0	-89.90	324.80	4.01	-85.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063527	1	36	-2.0	-89.88	324.86	4.00	-85.88
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063528	0	37	-2.0	-100.04	339.67	4.34	-95.70
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063528	1	37	-2.0	-100.04	339.73	4.33	-95.71
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063529	0	35	-2.0	-88.20	325.42	3.51	-84.69
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063529	1	35	-2.0	-88.18	325.48	3.49	-84.69
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063530	0	39	-2.0	-108.34	352.06	3.57	-104.77
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063530	1	39	-2.0	-108.31	352.12	3.57	-104.74
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063531	0	35	-2.0	-101.34	336.57	2.82	-98.52
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063531	1	35	-2.0	-101.32	336.63	2.81	-98.51
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063532	0	29	-2.0	-102.41	293.58	1.24	-101.17
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063532	1	29	-2.0	-102.39	293.63	1.24	-101.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063533	0	35	-2.0	-100.59	333.12	4.20	-96.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063533	1	35	-2.0	-100.53	333.18	4.19	-96.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063534	0	36	-2.0	-92.49	319.07	4.74	-87.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063534	1	36	-2.0	-92.48	319.13	4.74	-87.74
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063535	0	33	-2.0	-100.26	321.80	-0.53	-100.79
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063535	1	33	-2.0	-100.21	321.86	-0.54	-100.75
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063536	0	35	-2.0	-104.92	329.14	2.57	-102.35
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063536	1	35	-2.0	-104.89	329.19	2.57	-102.32
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063537	0	35	-2.0	-105.39	338.48	5.79	-99.60
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063537	1	35	-2.0	-105.36	338.54	5.78	-99.58
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063538	0	32	-2.0	-109.04	314.87	5.52	-103.52
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063538	1	32	-2.0	-108.93	314.93	5.51	-103.42
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063539	0	42	-2.0	-105.06	372.07	5.45	-99.61
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063539	1	42	-2.0	-104.96	372.13	5.45	-99.51
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063540	0	39	-2.0	-107.99	347.43	4.51	-103.48
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063540	1	39	-2.0	-107.94	347.49	4.50	-103.44
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063541	0	39	-2.0	-88.54	352.38	4.59	-83.95
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063541	1	39	-2.0	-88.53	352.44	4.59	-83.94
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063542	0	39	-2.0	-101.21	344.83	4.31	-96.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063542	1	39	-2.0	-101.22	344.89	4.31	-96.91
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063543	0	32	-2.0	-94.73	315.08	2.04	-92.69
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063543	1	32	-2.0	-94.66	315.13	2.03	-92.63
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1C(=O)[O-]	REAL300020063544	0	39	-2.0	-109.21	343.44	4.28	-104.93
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1C(=O)[O-]	REAL300020063544	1	39	-2.0	-109.14	343.50	4.27	-104.87
CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1C(=O)[O-]	REAL300020063545	0	39	-2.0	-120.34	337.15	5.29	-115.05
CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1C(=O)[O-]	REAL300020063545	1	39	-2.0	-120.31	337.21	5.28	-115.03
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063546	0	38	-2.0	-94.12	347.78	2.93	-91.19
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063546	1	38	-2.0	-94.07	347.84	2.92	-91.15
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063547	0	41	-2.0	-92.53	360.95	3.61	-88.92
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063547	1	41	-2.0	-92.52	361.01	3.60	-88.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063548	0	36	-2.0	-91.76	324.59	3.65	-88.11
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063548	1	36	-2.0	-91.75	324.65	3.65	-88.10
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063549	0	36	-2.0	-90.13	346.52	1.68	-88.45
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063549	1	36	-2.0	-90.03	346.58	1.67	-88.36
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063550	0	36	-2.0	-101.04	344.48	5.06	-95.98
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063550	1	36	-2.0	-100.99	344.54	5.05	-95.94
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063551	0	32	-2.0	-103.83	312.41	1.96	-101.87
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063551	1	32	-2.0	-103.78	312.47	1.95	-101.83
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063552	0	38	-2.0	-93.10	350.56	3.13	-89.97
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063552	1	38	-2.0	-93.10	350.62	3.12	-89.98
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063553	0	36	-2.0	-108.25	329.45	4.34	-103.91
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063553	1	36	-2.0	-108.20	329.50	4.33	-103.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063554	0	35	-2.0	-101.93	326.13	3.88	-98.05
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063554	1	35	-2.0	-101.92	326.19	3.88	-98.04
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300020063555	0	36	-2.0	-94.46	325.90	3.07	-91.39
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300020063555	1	36	-2.0	-94.41	325.96	3.06	-91.35
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063556	0	36	-2.0	-90.13	346.52	1.68	-88.45
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063556	1	36	-2.0	-90.03	346.58	1.67	-88.36
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063557	0	36	-2.0	-92.23	336.36	3.06	-89.17
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063557	1	36	-2.0	-92.17	336.41	3.05	-89.12
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063558	0	42	-2.0	-93.41	371.54	5.51	-87.90
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063558	1	42	-2.0	-93.38	371.60	5.50	-87.88
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300020063559	0	38	-2.0	-92.20	347.93	2.21	-89.99
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300020063559	1	38	-2.0	-92.14	347.99	2.21	-89.93
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020063560	0	36	-2.0	-108.60	350.52	4.34	-104.26
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020063560	1	36	-2.0	-108.61	350.57	4.33	-104.28
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCC1	REAL300020063561	0	39	-2.0	-102.54	353.30	3.81	-98.73
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCC1	REAL300020063561	1	39	-2.0	-102.52	353.36	3.81	-98.71
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063562	0	39	-2.0	-107.29	337.21	5.77	-101.52
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063562	1	39	-2.0	-107.26	337.28	5.76	-101.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063563	0	35	-2.0	-97.37	320.98	3.54	-93.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063563	1	35	-2.0	-97.31	321.04	3.53	-93.78
CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1C(=O)[O-]	REAL300020063564	0	39	-2.0	-93.64	347.05	4.50	-89.14
CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1C(=O)[O-]	REAL300020063564	1	39	-2.0	-93.57	347.11	4.49	-89.08
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCOCC1	REAL300020063565	0	37	-2.0	-109.99	320.44	1.44	-108.55
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCOCC1	REAL300020063565	1	37	-2.0	-109.99	320.50	1.44	-108.55
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300020063566	0	36	-2.0	-101.55	334.73	3.19	-98.36
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300020063566	1	36	-2.0	-101.47	334.79	3.18	-98.29
O=C([O-])CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CC1	REAL300020063567	0	39	-2.0	-96.17	358.25	3.97	-92.20
O=C([O-])CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CC1	REAL300020063567	1	39	-2.0	-96.12	358.31	3.96	-92.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063568	0	39	-2.0	-101.21	344.83	4.31	-96.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063568	1	39	-2.0	-101.22	344.89	4.31	-96.91
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063569	0	41	-2.0	-103.98	352.66	4.83	-99.15
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063569	1	41	-2.0	-103.94	352.72	4.82	-99.12
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063570	0	36	-2.0	-109.12	346.42	4.08	-105.04
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063570	1	36	-2.0	-109.07	346.48	4.07	-105.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063571	0	36	-2.0	-96.92	325.55	4.43	-92.49
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063571	1	36	-2.0	-96.88	325.60	4.42	-92.46
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063572	0	33	-2.0	-94.63	320.83	2.48	-92.15
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063572	1	33	-2.0	-94.63	320.89	2.47	-92.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063573	0	36	-2.0	-88.63	332.21	4.04	-84.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063573	1	36	-2.0	-88.58	332.27	4.03	-84.55
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063574	0	36	-2.0	-92.05	318.99	4.74	-87.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063574	1	36	-2.0	-92.01	319.05	4.73	-87.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063575	0	36	-2.0	-118.73	317.79	4.76	-113.97
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063575	1	36	-2.0	-118.71	317.85	4.75	-113.96
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063576	0	36	-2.0	-107.64	331.50	4.01	-103.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063576	1	36	-2.0	-107.58	331.56	4.00	-103.58
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063577	0	33	-2.0	-94.63	320.85	2.47	-92.16
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063577	1	33	-2.0	-94.58	320.90	2.46	-92.12
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063578	0	33	-2.0	-95.59	320.62	2.55	-93.04
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063578	1	33	-2.0	-95.58	320.68	2.54	-93.04
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=C1	REAL300020063579	0	36	-2.0	-98.23	352.84	4.13	-94.10
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=C1	REAL300020063579	1	36	-2.0	-98.15	352.90	4.12	-94.03
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063580	0	32	-2.0	-93.15	296.11	1.53	-91.62
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063580	1	32	-2.0	-93.14	296.18	1.52	-91.62
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063581	0	35	-2.0	-97.85	334.38	2.64	-95.21
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063581	1	35	-2.0	-97.80	334.44	2.63	-95.17
O=C([O-])[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020063582	0	36	-2.0	-108.55	350.50	4.34	-104.21
O=C([O-])[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020063582	1	36	-2.0	-108.51	350.56	4.33	-104.18
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063583	0	41	-2.0	-99.46	379.57	4.38	-95.08
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063583	1	41	-2.0	-99.39	379.63	4.37	-95.02
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063584	0	35	-2.0	-99.88	334.66	3.92	-95.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063584	1	35	-2.0	-99.88	334.72	3.91	-95.97
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063585	0	36	-2.0	-110.78	333.53	3.47	-107.31
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063585	1	36	-2.0	-110.69	333.59	3.46	-107.23
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063586	0	39	-2.0	-88.52	344.72	4.50	-84.02
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063586	1	39	-2.0	-88.53	344.78	4.49	-84.04
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCCC1	REAL300020063587	0	39	-2.0	-97.27	329.29	3.66	-93.61
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCCC1	REAL300020063587	1	39	-2.0	-97.22	329.34	3.65	-93.57
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063588	0	36	-2.0	-91.67	333.53	3.48	-88.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063588	1	36	-2.0	-91.59	333.59	3.47	-88.12
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063589	0	39	-2.0	-107.07	362.98	3.14	-103.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063589	1	39	-2.0	-107.03	363.04	3.13	-103.90
O=C([O-])CCC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063590	0	42	-2.0	-92.92	359.24	5.40	-87.52
O=C([O-])CCC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063590	1	42	-2.0	-92.92	359.30	5.40	-87.52
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063591	0	37	-2.0	-107.90	341.66	1.58	-106.32
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063591	1	37	-2.0	-107.87	341.72	1.57	-106.30
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063592	0	35	-2.0	-88.10	309.20	1.95	-86.15
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063592	1	35	-2.0	-88.08	309.26	1.94	-86.14
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)(C1)C2	REAL300020063593	0	34	-2.0	-111.17	324.41	2.63	-108.54
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)(C1)C2	REAL300020063593	1	34	-2.0	-111.13	324.46	2.63	-108.50
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063594	0	39	-2.0	-98.58	347.93	3.84	-94.74
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063594	1	39	-2.0	-98.52	347.99	3.83	-94.69
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063595	0	42	-2.0	-96.75	375.87	4.48	-92.27
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063595	1	42	-2.0	-96.76	375.93	4.48	-92.28
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063596	0	39	-2.0	-90.30	349.23	4.73	-85.57
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063596	1	39	-2.0	-90.28	349.28	4.72	-85.56
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063597	0	30	-2.0	-94.26	293.84	1.78	-92.48
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063597	1	30	-2.0	-94.24	293.89	1.77	-92.47
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063598	0	32	-2.0	-100.04	309.05	1.97	-98.07
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063598	1	32	-2.0	-100.06	309.11	1.96	-98.10
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063599	0	39	-2.0	-98.63	353.51	3.62	-95.01
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063599	1	39	-2.0	-98.59	353.57	3.61	-94.98
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063600	0	39	-2.0	-95.07	347.24	3.80	-91.27
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063600	1	39	-2.0	-95.06	347.31	3.79	-91.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063601	0	36	-2.0	-97.38	328.23	4.48	-92.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063601	1	36	-2.0	-97.37	328.28	4.47	-92.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063602	0	36	-2.0	-96.97	325.54	4.43	-92.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063602	1	36	-2.0	-96.91	325.60	4.42	-92.49
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300020063603	0	33	-2.0	-113.91	305.13	2.74	-111.17
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300020063603	1	33	-2.0	-113.91	305.19	2.73	-111.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063604	0	33	-2.0	-96.92	314.39	3.48	-93.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063604	1	33	-2.0	-96.86	314.43	3.48	-93.38
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCOC1	REAL300020063605	0	37	-2.0	-95.83	342.55	1.24	-94.59
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCOC1	REAL300020063605	1	37	-2.0	-95.81	342.61	1.24	-94.57
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300020063606	0	34	-2.0	-103.14	332.42	3.24	-99.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300020063606	1	34	-2.0	-103.08	332.47	3.23	-99.85
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063607	0	33	-2.0	-101.35	320.23	2.80	-98.55
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063607	1	33	-2.0	-101.30	320.29	2.79	-98.51
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC12CCC2	REAL300020063608	0	40	-2.0	-101.44	359.12	4.79	-96.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC12CCC2	REAL300020063608	1	40	-2.0	-101.42	359.17	4.78	-96.64
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCO1	REAL300020063609	0	37	-2.0	-103.31	339.26	3.18	-100.13
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCO1	REAL300020063609	1	37	-2.0	-103.23	339.32	3.18	-100.05
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063610	0	33	-2.0	-100.02	333.05	2.59	-97.43
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063610	1	33	-2.0	-99.94	333.11	2.58	-97.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C[C@H]1C1CC1	REAL300020063611	0	40	-2.0	-102.09	365.30	5.19	-96.90
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C[C@H]1C1CC1	REAL300020063611	1	40	-2.0	-102.01	365.36	5.18	-96.83
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063612	0	33	-2.0	-99.28	317.08	3.20	-96.08
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063612	1	33	-2.0	-99.23	317.14	3.19	-96.04
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063613	0	38	-2.0	-91.39	356.61	3.61	-87.78
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063613	1	38	-2.0	-91.31	356.67	3.60	-87.71
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063614	0	38	-2.0	-103.87	357.46	3.67	-100.20
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063614	1	38	-2.0	-103.89	357.51	3.66	-100.23
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300020063615	0	34	-2.0	-94.14	331.39	3.20	-90.94
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300020063615	1	34	-2.0	-94.04	331.45	3.20	-90.84
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063616	0	35	-2.0	-95.79	333.40	2.74	-93.05
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063616	1	35	-2.0	-95.74	333.46	2.73	-93.01
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063617	0	35	-2.0	-91.22	334.90	2.84	-88.38
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063617	1	35	-2.0	-91.20	334.96	2.83	-88.37
FC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1CN1C=CC=N1	REAL300020063618	0	35	-1.0	-42.25	313.12	6.16	-36.09
FC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1CN1C=CC=N1	REAL300020063618	1	35	-1.0	-42.31	313.06	6.15	-36.16
FC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1CN1C=CC=N1	REAL300020063619	0	35	-1.0	-50.53	313.42	6.11	-44.42
FC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1CN1C=CC=N1	REAL300020063619	1	35	-1.0	-50.62	313.37	6.12	-44.50
COCCOCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063620	0	39	-1.0	-41.64	334.40	4.43	-37.21
COCCOCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063620	1	39	-1.0	-41.63	334.46	4.44	-37.19
COCCOCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063621	0	39	-1.0	-46.34	334.72	4.40	-41.94
COCCOCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063621	1	39	-1.0	-46.31	334.77	4.39	-41.92
CCCOCCOC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063622	0	42	-1.0	-40.57	352.17	5.74	-34.83
CCCOCCOC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063622	1	42	-1.0	-40.56	352.23	5.75	-34.81
CCCOCCOC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063623	0	42	-1.0	-47.25	352.48	5.71	-41.54
CCCOCCOC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063623	1	42	-1.0	-47.17	352.53	5.70	-41.47
C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(OCC2CCOC2)=C1	REAL300020063624	0	40	-1.0	-42.88	335.81	5.17	-37.71
C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(OCC2CCOC2)=C1	REAL300020063624	1	40	-1.0	-42.81	335.87	5.18	-37.63
C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(OCC2CCOC2)=C1	REAL300020063625	0	40	-1.0	-48.44	336.17	5.13	-43.31
C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(OCC2CCOC2)=C1	REAL300020063625	1	40	-1.0	-48.42	336.22	5.12	-43.30
CC[NH+](CC)CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063626	0	47	0.0	-64.41	363.42	7.24	-57.17
CC[NH+](CC)CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063626	1	47	0.0	-64.40	363.48	7.25	-57.15
CC[NH+](CC)CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063627	0	47	0.0	-70.66	367.55	7.47	-63.19
CC[NH+](CC)CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063627	1	47	0.0	-70.67	367.60	7.48	-63.19
C[NH+]1CCN(CCOC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)CC1	REAL300020063628	0	50	0.0	-63.83	390.14	5.39	-58.44
C[NH+]1CCN(CCOC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)CC1	REAL300020063628	1	50	0.0	-63.81	390.20	5.40	-58.41
C[NH+]1CCN(CCOC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)CC1	REAL300020063629	0	50	0.0	-70.69	390.46	5.35	-65.34
C[NH+]1CCN(CCOC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)CC1	REAL300020063629	1	50	0.0	-70.63	390.51	5.34	-65.29
CC1=NN(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C(C)=C1	REAL300020063630	0	38	-1.0	-41.19	322.91	6.67	-34.52
CC1=NN(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C(C)=C1	REAL300020063630	1	38	-1.0	-41.19	322.97	6.68	-34.51
CC1=NN(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C(C)=C1	REAL300020063631	0	38	-1.0	-47.96	323.23	6.63	-41.33
CC1=NN(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C(C)=C1	REAL300020063631	1	38	-1.0	-47.93	323.28	6.62	-41.31
O=C1C=CC=CN1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063632	0	38	-1.0	-45.99	329.34	7.24	-38.75
O=C1C=CC=CN1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063632	1	38	-1.0	-45.98	329.40	7.25	-38.73
O=C1C=CC=CN1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063633	0	38	-1.0	-55.10	329.71	7.21	-47.89
O=C1C=CC=CN1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063633	1	38	-1.0	-55.02	329.76	7.20	-47.82
FC1=CC=C(OC(F)F)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063634	0	29	-1.0	-39.07	273.94	4.44	-34.63
FC1=CC=C(OC(F)F)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063634	1	29	-1.0	-39.06	274.00	4.45	-34.61
FC1=CC=C(OC(F)F)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063635	0	29	-1.0	-42.90	274.30	4.41	-38.49
FC1=CC=C(OC(F)F)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063635	1	29	-1.0	-42.89	274.36	4.40	-38.49
CC1=CC=C(OC2CCCC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063636	0	42	-1.0	-40.42	344.27	7.68	-32.74
CC1=CC=C(OC2CCCC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063636	1	42	-1.0	-40.43	344.33	7.69	-32.74
CC1=CC=C(OC2CCCC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063637	0	42	-1.0	-45.43	344.64	7.64	-37.79
CC1=CC=C(OC2CCCC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063637	1	42	-1.0	-45.45	344.71	7.63	-37.82
C1=CC(OC2CCCCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063638	0	42	-1.0	-38.13	334.76	7.24	-30.89
C1=CC(OC2CCCCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063638	1	42	-1.0	-38.09	334.82	7.25	-30.84
C1=CC(OC2CCCCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063639	0	42	-1.0	-44.47	335.08	7.21	-37.26
C1=CC(OC2CCCCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063639	1	42	-1.0	-44.45	335.13	7.20	-37.25
FC1=CC=C(OCC2=CC=CC=N2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063640	0	38	-1.0	-41.22	338.66	6.45	-34.77
FC1=CC=C(OCC2=CC=CC=N2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063640	1	38	-1.0	-41.23	338.72	6.46	-34.77
FC1=CC=C(OCC2=CC=CC=N2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063641	0	38	-1.0	-45.24	339.06	6.41	-38.83
FC1=CC=C(OCC2=CC=CC=N2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063641	1	38	-1.0	-45.23	339.11	6.41	-38.82
FC1=CC=C(OCC2=CC=NC=C2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063642	0	38	-1.0	-43.65	340.82	6.38	-37.27
FC1=CC=C(OCC2=CC=NC=C2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063642	1	38	-1.0	-43.62	340.89	6.39	-37.23
FC1=CC=C(OCC2=CC=NC=C2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063643	0	38	-1.0	-48.51	341.18	6.35	-42.16
FC1=CC=C(OCC2=CC=NC=C2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063643	1	38	-1.0	-48.47	341.23	6.34	-42.13
FC(F)(F)C1=CC=CC=C1C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)O1	REAL300020063644	0	35	-1.0	-48.14	323.40	7.55	-40.59
FC(F)(F)C1=CC=CC=C1C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)O1	REAL300020063644	1	35	-1.0	-48.10	323.47	7.55	-40.55
FC(F)(F)C1=CC=CC=C1C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)O1	REAL300020063645	0	35	-1.0	-46.80	323.74	7.50	-39.30
FC(F)(F)C1=CC=CC=C1C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)O1	REAL300020063645	1	35	-1.0	-46.81	323.79	7.49	-39.32
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OCC1CCCCO1	REAL300020063646	0	43	-1.0	-40.70	350.36	6.04	-34.66
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OCC1CCCCO1	REAL300020063646	1	43	-1.0	-40.71	350.42	6.05	-34.66
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OCC1CCCCO1	REAL300020063647	0	43	-1.0	-45.89	350.67	6.01	-39.88
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OCC1CCCCO1	REAL300020063647	1	43	-1.0	-45.85	350.72	6.00	-39.85
FC(F)(F)C1=NN(CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C=C1	REAL300020063648	0	38	-1.0	-44.94	349.06	7.14	-37.80
FC(F)(F)C1=NN(CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C=C1	REAL300020063648	1	38	-1.0	-44.97	349.00	7.13	-37.84
FC(F)(F)C1=NN(CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C=C1	REAL300020063649	0	38	-1.0	-51.23	349.36	7.09	-44.14
FC(F)(F)C1=NN(CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C=C1	REAL300020063649	1	38	-1.0	-51.30	349.31	7.09	-44.21
O=S1(=O)CCN(CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)CC1	REAL300020063650	0	43	-1.0	-47.93	359.66	2.15	-45.78
O=S1(=O)CCN(CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)CC1	REAL300020063650	1	43	-1.0	-47.88	359.72	2.16	-45.72
O=S1(=O)CCN(CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)CC1	REAL300020063651	0	43	-1.0	-52.64	359.97	2.11	-50.53
O=S1(=O)CCN(CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)CC1	REAL300020063651	1	43	-1.0	-52.62	360.02	2.11	-50.51
C1=CN(CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2)N=C1	REAL300020063652	0	35	-1.0	-43.26	307.68	6.14	-37.12
C1=CN(CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2)N=C1	REAL300020063652	1	35	-1.0	-43.30	307.62	6.13	-37.17
C1=CN(CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2)N=C1	REAL300020063653	0	35	-1.0	-46.75	307.99	6.09	-40.66
C1=CN(CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2)N=C1	REAL300020063653	1	35	-1.0	-46.71	307.94	6.10	-40.61
COCCC[N@H+](C)CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063654	0	51	0.0	-67.55	404.94	6.65	-60.90
COCCC[N@@H+](C)CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063654	1	51	0.0	-67.58	404.92	6.63	-60.95
COCCC[N@H+](C)CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063654	1	51	0.0	-67.55	405.00	6.66	-60.89
COCCC[N@@H+](C)CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063654	1	51	0.0	-67.57	404.98	6.64	-60.93
COCCC[N@H+](C)CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063655	0	51	0.0	-75.64	405.26	6.61	-69.03
COCCC[N@@H+](C)CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063655	1	51	0.0	-75.64	405.24	6.60	-69.04
COCCC[N@H+](C)CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063655	1	51	0.0	-75.62	405.30	6.60	-69.02
COCCC[N@@H+](C)CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063655	1	51	0.0	-75.65	405.29	6.59	-69.06
CC1CC[NH+](CCOC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)CC1	REAL300020063656	0	51	0.0	-66.60	394.37	8.61	-57.99
CC1CC[NH+](CCOC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)CC1	REAL300020063656	1	51	0.0	-66.58	394.43	8.62	-57.96
CC1CC[NH+](CCOC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)CC1	REAL300020063657	0	51	0.0	-69.68	394.69	8.57	-61.11
CC1CC[NH+](CCOC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)CC1	REAL300020063657	1	51	0.0	-69.71	394.74	8.57	-61.14
CCC1CCC[N@@H+]1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063658	0	47	0.0	-62.80	367.34	8.84	-53.96
CCC1CCC[N@H+]1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063658	1	47	0.0	-63.17	359.60	8.42	-54.75
CCC1CCC[N@@H+]1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063658	1	47	0.0	-62.76	367.40	8.85	-53.91
CCC1CCC[N@H+]1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063658	1	47	0.0	-63.13	359.65	8.43	-54.70
CCC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063659	0	47	0.0	-70.30	367.65	8.80	-61.50
CCC1CCC[N@H+]1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063659	1	47	0.0	-69.26	365.90	8.91	-60.35
CCC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063659	1	47	0.0	-70.26	367.71	8.78	-61.48
CCC1CCC[N@H+]1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063659	1	47	0.0	-69.23	365.95	8.90	-60.33
FC1=CC=C(CN2C=CC=N2)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063660	0	35	-1.0	-45.92	319.04	6.40	-39.52
FC1=CC=C(CN2C=CC=N2)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063660	1	35	-1.0	-45.93	318.99	6.37	-39.56
FC1=CC=C(CN2C=CC=N2)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063661	0	35	-1.0	-49.47	319.31	6.33	-43.14
FC1=CC=C(CN2C=CC=N2)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063661	1	35	-1.0	-49.50	319.26	6.34	-43.16
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C[NH+](C)C	REAL300020063662	0	41	0.0	-65.56	325.63	5.95	-59.61
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C[NH+](C)C	REAL300020063662	1	41	0.0	-65.52	325.69	5.97	-59.55
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C[NH+](C)C	REAL300020063663	0	41	0.0	-67.26	325.95	5.93	-61.33
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C[NH+](C)C	REAL300020063663	1	41	0.0	-67.26	326.00	5.92	-61.34
CN(CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1)C1=CC=CC=C1	REAL300020063664	0	43	-1.0	-40.73	352.10	8.68	-32.05
CN(CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1)C1=CC=CC=C1	REAL300020063664	1	43	-1.0	-40.71	352.16	8.69	-32.02
CN(CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1)C1=CC=CC=C1	REAL300020063665	0	43	-1.0	-46.13	352.42	8.64	-37.49
CN(CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1)C1=CC=CC=C1	REAL300020063665	1	43	-1.0	-46.18	352.47	8.64	-37.54
C1=CC(OC2CCCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063666	0	39	-1.0	-38.32	318.55	6.70	-31.62
C1=CC(OC2CCCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063666	1	39	-1.0	-38.32	318.61	6.71	-31.61
C1=CC(OC2CCCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063667	0	39	-1.0	-44.74	318.22	6.64	-38.10
C1=CC(OC2CCCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063667	1	39	-1.0	-44.79	318.27	6.64	-38.15
CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1OCC	REAL300020063668	0	39	-1.0	-39.90	326.23	5.55	-34.35
CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1OCC	REAL300020063668	1	39	-1.0	-39.85	326.29	5.56	-34.29
CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1OCC	REAL300020063669	0	39	-1.0	-45.61	326.54	5.51	-40.10
CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1OCC	REAL300020063669	1	39	-1.0	-45.56	326.59	5.51	-40.05
CC(C)CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063670	0	41	-1.0	-39.50	335.72	6.82	-32.68
CC(C)CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063670	1	41	-1.0	-39.50	335.78	6.83	-32.67
CC(C)CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063671	0	41	-1.0	-43.66	336.04	6.78	-36.88
CC(C)CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063671	1	41	-1.0	-43.66	336.09	6.78	-36.88
C1=CC2=C(C=C1)C1=C(C=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C1)O2	REAL300020063672	0	34	-1.0	-41.11	298.07	7.18	-33.93
C1=CC2=C(C=C1)C1=C(C=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C1)O2	REAL300020063672	1	34	-1.0	-41.05	298.13	7.20	-33.85
C1=CC2=C(C=C1)C1=C(C=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C1)O2	REAL300020063673	0	34	-1.0	-46.92	298.38	7.15	-39.77
C1=CC2=C(C=C1)C1=C(C=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C1)O2	REAL300020063673	1	34	-1.0	-46.88	298.43	7.14	-39.74
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1C[NH+]1CCCCC1	REAL300020063674	0	44	0.0	-65.17	343.77	8.25	-56.92
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1C[NH+]1CCCCC1	REAL300020063674	1	44	0.0	-65.17	343.83	8.26	-56.91
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1C[NH+]1CCCCC1	REAL300020063675	0	44	0.0	-72.16	343.78	8.16	-64.00
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1C[NH+]1CCCCC1	REAL300020063675	1	44	0.0	-72.12	343.82	8.15	-63.97
FC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1C(F)(F)F	REAL300020063676	0	28	-1.0	-35.94	268.11	5.54	-30.40
FC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1C(F)(F)F	REAL300020063676	1	28	-1.0	-35.92	268.18	5.56	-30.36
FC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1C(F)(F)F	REAL300020063677	0	28	-1.0	-42.43	268.43	5.51	-36.92
FC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1C(F)(F)F	REAL300020063677	1	28	-1.0	-42.38	268.48	5.50	-36.88
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OCCC[NH+]1CCCCC1	REAL300020063678	0	51	0.0	-68.11	396.24	8.70	-59.41
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OCCC[NH+]1CCCCC1	REAL300020063678	1	51	0.0	-68.09	396.31	8.71	-59.38
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OCCC[NH+]1CCCCC1	REAL300020063679	0	51	0.0	-72.87	396.10	8.64	-64.23
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OCCC[NH+]1CCCCC1	REAL300020063679	1	51	0.0	-72.87	396.15	8.63	-64.24
CC(C)CCOC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063680	0	41	-1.0	-38.13	335.75	6.81	-31.32
CC(C)CCOC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063680	1	41	-1.0	-38.12	335.81	6.82	-31.30
CC(C)CCOC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063681	0	41	-1.0	-44.36	336.06	6.77	-37.59
CC(C)CCOC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063681	1	41	-1.0	-44.38	336.12	6.77	-37.61
COC1=CC=C(C2=CC=NC=C2)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063682	0	38	-1.0	-43.13	327.06	5.76	-37.37
COC1=CC=C(C2=CC=NC=C2)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063682	1	38	-1.0	-43.13	327.11	5.77	-37.36
COC1=CC=C(C2=CC=NC=C2)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063683	0	38	-1.0	-47.48	327.43	5.73	-41.75
COC1=CC=C(C2=CC=NC=C2)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063683	1	38	-1.0	-47.45	327.50	5.72	-41.73
C1=CC=C(CCOC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)C=C1	REAL300020063684	0	42	-1.0	-38.95	356.59	8.53	-30.42
C1=CC=C(CCOC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C=C1	REAL300020063684	1	42	-1.0	-38.98	356.65	8.54	-30.44
C1=CC=C(CCOC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)C=C1	REAL300020063685	0	42	-1.0	-44.99	356.91	8.50	-36.49
C1=CC=C(CCOC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C=C1	REAL300020063685	1	42	-1.0	-45.00	356.96	8.49	-36.51
C1=CC=C(CCOC2=CC=CC=C2C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063686	0	42	-1.0	-40.54	361.03	8.85	-31.69
C1=CC=C(CCOC2=CC=CC=C2C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063686	1	42	-1.0	-40.59	361.09	8.86	-31.73
C1=CC=C(CCOC2=CC=CC=C2C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063687	0	42	-1.0	-45.83	361.39	8.82	-37.01
C1=CC=C(CCOC2=CC=CC=C2C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063687	1	42	-1.0	-45.82	361.46	8.81	-37.01
FC1=CC=C(OCC2CCCCO2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063688	0	43	-1.0	-43.25	361.21	6.41	-36.84
FC1=CC=C(OCC2CCCCO2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063688	1	43	-1.0	-43.18	361.28	6.42	-36.76
FC1=CC=C(OCC2CCCCO2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063689	0	43	-1.0	-47.18	361.58	6.37	-40.81
FC1=CC=C(OCC2CCCCO2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063689	1	43	-1.0	-47.15	361.64	6.37	-40.78
FC1=CC=C(OCC2CCOCC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063690	0	43	-1.0	-41.36	360.36	6.07	-35.29
FC1=CC=C(OCC2CCOCC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063690	1	43	-1.0	-41.33	360.42	6.08	-35.25
FC1=CC=C(OCC2CCOCC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063691	0	43	-1.0	-45.28	360.71	6.03	-39.25
FC1=CC=C(OCC2CCOCC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063691	1	43	-1.0	-45.22	360.75	6.03	-39.19
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063692	0	48	0.0	-65.54	373.72	8.04	-57.50
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063692	1	48	0.0	-65.55	373.78	8.05	-57.50
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063693	0	48	0.0	-68.85	374.03	7.99	-60.86
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063693	1	48	0.0	-68.82	374.09	7.98	-60.84
C1=CC=C(COC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)N=C1	REAL300020063694	0	38	-1.0	-42.42	327.83	6.07	-36.35
C1=CC=C(COC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)N=C1	REAL300020063694	1	38	-1.0	-42.40	327.89	6.08	-36.32
C1=CC=C(COC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)N=C1	REAL300020063695	0	38	-1.0	-46.43	328.15	6.03	-40.40
C1=CC=C(COC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)N=C1	REAL300020063695	1	38	-1.0	-46.37	328.20	6.02	-40.35
FC1=CC=C(COC2=CC=CC=C2C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020063696	0	39	-1.0	-39.33	359.10	8.73	-30.60
FC1=CC=C(COC2=CC=CC=C2C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020063696	1	39	-1.0	-39.31	359.17	8.74	-30.57
FC1=CC=C(COC2=CC=CC=C2C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1	REAL300020063697	0	39	-1.0	-44.59	359.47	8.70	-35.89
FC1=CC=C(COC2=CC=CC=C2C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1	REAL300020063697	1	39	-1.0	-44.55	359.53	8.69	-35.86
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OC1CCOC1	REAL300020063698	0	40	-1.0	-40.58	329.18	4.86	-35.72
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OC1CCOC1	REAL300020063698	1	40	-1.0	-40.52	329.23	4.87	-35.65
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OC1CCOC1	REAL300020063699	0	40	-1.0	-45.70	329.49	4.82	-40.88
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OC1CCOC1	REAL300020063699	1	40	-1.0	-45.68	329.54	4.82	-40.86
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OC1CCOC1	REAL300020063700	0	37	-1.0	-41.76	309.12	4.12	-37.64
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OC1CCOC1	REAL300020063700	1	37	-1.0	-41.72	309.19	4.13	-37.59
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OC1CCOC1	REAL300020063701	0	37	-1.0	-45.65	309.46	4.08	-41.57
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OC1CCOC1	REAL300020063701	1	37	-1.0	-45.64	309.51	4.07	-41.57
FC1=CC=C(OCC2CCCO2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063702	0	40	-1.0	-43.18	343.12	5.55	-37.63
FC1=CC=C(OCC2CCCO2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063702	1	40	-1.0	-43.20	343.17	5.57	-37.63
FC1=CC=C(OCC2CCCO2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063703	0	40	-1.0	-48.93	343.47	5.51	-43.42
FC1=CC=C(OCC2CCCO2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063703	1	40	-1.0	-48.90	343.52	5.50	-43.40
FC1=CC=C(OCCC2=CC=CC=C2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063704	0	42	-1.0	-40.34	367.44	8.92	-31.42
FC1=CC=C(OCCC2=CC=CC=C2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063704	1	42	-1.0	-40.31	367.50	8.93	-31.38
FC1=CC=C(OCCC2=CC=CC=C2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063705	0	42	-1.0	-44.41	367.79	8.88	-35.53
FC1=CC=C(OCCC2=CC=CC=C2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063705	1	42	-1.0	-44.43	367.85	8.87	-35.56
FC1=CC=C(OCC2CCOC2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063706	0	40	-1.0	-43.14	342.22	5.24	-37.90
FC1=CC=C(OCC2CCOC2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063706	1	40	-1.0	-43.13	342.28	5.25	-37.88
FC1=CC=C(OCC2CCOC2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063707	0	40	-1.0	-47.65	342.54	5.19	-42.46
FC1=CC=C(OCC2CCOC2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063707	1	40	-1.0	-47.65	342.59	5.18	-42.47
FC1=CC=C(COC2=CC=CC=C2C2=CN=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020063708	0	39	-1.0	-39.18	349.66	8.31	-30.87
FC1=CC=C(COC2=CC=CC=C2C2=CN=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020063708	1	39	-1.0	-39.17	349.72	8.33	-30.84
FC1=CC=C(COC2=CC=CC=C2C2=CC=C(C3=N[N-]N=N3)N=C2)C(F)=C1	REAL300020063709	0	39	-1.0	-44.25	350.02	8.28	-35.97
FC1=CC=C(COC2=CC=CC=C2C2=CC=C(C3=NN=N[N-]3)N=C2)C(F)=C1	REAL300020063709	1	39	-1.0	-44.24	350.09	8.27	-35.97
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OC1CCCC1	REAL300020063710	0	39	-1.0	-39.71	318.41	6.69	-33.02
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OC1CCCC1	REAL300020063710	1	39	-1.0	-39.71	318.47	6.70	-33.01
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OC1CCCC1	REAL300020063711	0	39	-1.0	-43.68	319.07	6.66	-37.02
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OC1CCCC1	REAL300020063711	1	39	-1.0	-43.62	319.12	6.65	-36.97
O=S1(=O)CCN(CC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)CC1	REAL300020063712	0	43	-1.0	-48.03	359.67	2.14	-45.89
O=S1(=O)CCN(CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)CC1	REAL300020063712	1	43	-1.0	-48.05	359.73	2.15	-45.90
O=S1(=O)CCN(CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)CC1	REAL300020063713	0	43	-1.0	-52.10	359.98	2.10	-50.00
O=S1(=O)CCN(CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)CC1	REAL300020063713	1	43	-1.0	-52.05	360.04	2.10	-49.95
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063714	0	48	0.0	-65.54	373.72	8.04	-57.50
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063714	1	48	0.0	-65.55	373.78	8.05	-57.50
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063715	0	48	0.0	-68.85	374.03	7.99	-60.86
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063715	1	48	0.0	-68.82	374.09	7.98	-60.84
C[NH+](C)CCOC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063716	0	41	0.0	-66.17	332.06	6.17	-60.00
C[NH+](C)CCOC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063716	1	41	0.0	-66.13	332.12	6.18	-59.95
C[NH+](C)CCOC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063717	0	41	0.0	-69.17	332.39	6.12	-63.05
C[NH+](C)CCOC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063717	1	41	0.0	-69.20	332.44	6.11	-63.09
C1=CC=C(OCC2=CC=CC=C2C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063718	0	39	-1.0	-38.71	333.15	7.81	-30.90
C1=CC=C(OCC2=CC=CC=C2C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063718	1	39	-1.0	-38.67	333.21	7.82	-30.85
C1=CC=C(OCC2=CC=CC=C2C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063719	0	39	-1.0	-43.95	333.50	7.78	-36.17
C1=CC=C(OCC2=CC=CC=C2C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063719	1	39	-1.0	-43.91	333.56	7.77	-36.14
FC1=CC=C(OCC2=CC=CC=C2C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063720	0	39	-1.0	-38.26	339.54	7.88	-30.38
FC1=CC=C(OCC2=CC=CC=C2C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063720	1	39	-1.0	-38.29	339.60	7.89	-30.40
FC1=CC=C(OCC2=CC=CC=C2C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063721	0	39	-1.0	-43.40	339.91	7.85	-35.55
FC1=CC=C(OCC2=CC=CC=C2C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063721	1	39	-1.0	-43.37	339.97	7.84	-35.53
CCCSCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063722	0	38	-1.0	-39.34	332.94	8.04	-31.30
CCCSCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063722	1	38	-1.0	-39.30	333.00	8.05	-31.25
CCCSCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063723	0	38	-1.0	-44.49	333.26	8.01	-36.48
CCCSCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063723	1	38	-1.0	-44.45	333.31	8.00	-36.45
C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(OC2CCCCC2)=C1	REAL300020063724	0	42	-1.0	-39.85	339.20	7.56	-32.29
C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(OC2CCCCC2)=C1	REAL300020063724	1	42	-1.0	-39.85	339.26	7.57	-32.28
C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(OC2CCCCC2)=C1	REAL300020063725	0	42	-1.0	-45.64	339.56	7.53	-38.11
C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(OC2CCCCC2)=C1	REAL300020063725	1	42	-1.0	-45.63	339.63	7.52	-38.11
CC1CCC[N@@H+]1CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063726	0	44	0.0	-65.64	347.41	8.18	-57.46
CC1CCC[N@H+]1CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063726	1	44	0.0	-65.61	348.56	8.22	-57.39
CC1CCC[N@@H+]1CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063726	1	44	0.0	-65.67	347.35	8.17	-57.50
CC1CCC[N@H+]1CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063726	1	44	0.0	-65.60	348.50	8.21	-57.39
CC1CCC[N@@H+]1CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063727	0	44	0.0	-66.92	340.42	7.73	-59.19
CC1CCC[N@H+]1CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063727	1	44	0.0	-66.95	340.45	7.75	-59.20
CC1CCC[N@@H+]1CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063727	1	44	0.0	-66.88	340.47	7.73	-59.15
CC1CCC[N@H+]1CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063727	1	44	0.0	-66.94	340.50	7.74	-59.20
CC1CCC[N@@H+]1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063728	0	44	0.0	-62.59	348.06	8.18	-54.41
CC1CCC[N@H+]1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063728	1	44	0.0	-62.75	340.02	7.78	-54.97
CC1CCC[N@@H+]1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063728	1	44	0.0	-62.58	348.13	8.20	-54.38
CC1CCC[N@H+]1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063728	1	44	0.0	-62.76	340.08	7.79	-54.97
CC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063729	0	44	0.0	-69.80	340.35	7.74	-62.06
CC1CCC[N@H+]1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063729	1	44	0.0	-69.79	340.34	7.74	-62.05
CC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063729	1	44	0.0	-69.79	340.40	7.74	-62.05
CC1CCC[N@H+]1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063729	1	44	0.0	-69.78	340.39	7.74	-62.04
C1=CC=C(CC2=CC=CC=C2C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063730	0	38	-1.0	-42.26	323.00	8.63	-33.63
C1=CC=C(CC2=CC=CC=C2C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063730	1	38	-1.0	-42.24	323.05	8.64	-33.60
C1=CC=C(CC2=CC=CC=C2C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063731	0	38	-1.0	-44.86	323.36	8.59	-36.27
C1=CC=C(CC2=CC=CC=C2C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063731	1	38	-1.0	-44.83	323.40	8.58	-36.25
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OCCN1CCOCC1	REAL300020063732	0	48	-1.0	-40.61	383.88	4.08	-36.53
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OCCN1CCOCC1	REAL300020063732	1	48	-1.0	-40.63	383.94	4.09	-36.54
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OCCN1CCOCC1	REAL300020063733	0	48	-1.0	-45.80	384.20	4.04	-41.76
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OCCN1CCOCC1	REAL300020063733	1	48	-1.0	-45.79	384.25	4.04	-41.75
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C2=CC=CC=C12	REAL300020063734	0	31	-1.0	-37.03	285.26	7.07	-29.96
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C2=CC=CC=C12	REAL300020063734	1	31	-1.0	-37.02	285.31	7.09	-29.93
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C2=CC=CC=C12	REAL300020063735	0	31	-1.0	-41.98	285.60	7.04	-34.94
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C2=CC=CC=C12	REAL300020063735	1	31	-1.0	-41.96	285.65	7.03	-34.93
CC(C)(C)C(=O)NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020063736	0	40	-1.0	-52.38	335.16	5.09	-47.29
CC(C)(C)C(=O)NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020063736	1	40	-1.0	-52.29	335.22	5.10	-47.19
CC(C)(C)C(=O)NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL300020063737	0	40	-1.0	-52.09	335.47	5.06	-47.03
CC(C)(C)C(=O)NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL300020063737	1	40	-1.0	-52.03	335.52	5.05	-46.98
FC(F)(F)OC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063738	0	29	-1.0	-37.77	274.28	4.59	-33.18
FC(F)(F)OC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063738	1	29	-1.0	-37.75	274.32	4.61	-33.14
FC(F)(F)OC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063739	0	29	-1.0	-44.63	274.63	4.56	-40.07
FC(F)(F)OC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063739	1	29	-1.0	-44.62	274.70	4.55	-40.07
C1=CN(CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C=N1	REAL300020063740	0	35	-1.0	-44.88	307.13	7.75	-37.13
C1=CN(CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C=N1	REAL300020063740	1	35	-1.0	-44.86	307.19	7.76	-37.10
C1=CN(CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C=N1	REAL300020063741	0	35	-1.0	-49.46	307.44	7.72	-41.74
C1=CN(CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C=N1	REAL300020063741	1	35	-1.0	-49.47	307.50	7.71	-41.76
CC(C)(C)OC(=O)N1C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063742	0	38	-1.0	-41.45	317.41	5.64	-35.81
CC(C)(C)OC(=O)N1C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063742	1	38	-1.0	-47.00	317.43	5.73	-41.27
CC(C)(C)OC(=O)N1C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063743	0	38	-1.0	-48.88	317.73	5.60	-43.28
CC(C)(C)OC(=O)N1C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063743	1	38	-1.0	-48.78	317.77	5.58	-43.20
COCC(C)OC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063744	0	39	-1.0	-40.46	325.40	4.69	-35.77
COCC(C)OC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063744	1	39	-1.0	-40.42	325.46	4.70	-35.72
COCC(C)OC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063745	0	39	-1.0	-47.16	325.72	4.65	-42.51
COCC(C)OC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063745	1	39	-1.0	-47.17	325.77	4.64	-42.53
ClC1=CC2=NC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2C=C1	REAL300020063746	0	30	-1.0	-36.45	283.01	5.31	-31.14
ClC1=CC2=NC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2C=C1	REAL300020063746	1	30	-1.0	-36.43	283.06	5.32	-31.11
ClC1=CC2=NC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2C=C1	REAL300020063747	0	30	-1.0	-42.14	283.37	5.26	-36.88
ClC1=CC2=NC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2C=C1	REAL300020063747	1	30	-1.0	-42.05	283.44	5.26	-36.79
FC1(F)OC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2O1	REAL300020063748	0	28	-1.0	-36.29	263.44	3.56	-32.73
FC1(F)OC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2O1	REAL300020063748	1	28	-1.0	-36.27	263.50	3.58	-32.69
FC1(F)OC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2O1	REAL300020063749	0	28	-1.0	-44.42	263.76	3.54	-40.88
FC1(F)OC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2O1	REAL300020063749	1	28	-1.0	-44.38	263.81	3.53	-40.85
O=C(OCC1=CC=CC=C1)N1CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)CC1	REAL300020063750	0	44	-1.0	-43.26	376.98	7.63	-35.63
O=C(OCC1=CC=CC=C1)N1CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)CC1	REAL300020063750	1	44	-1.0	-43.22	377.04	7.63	-35.59
O=C(OCC1=CC=CC=C1)N1CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)CC1	REAL300020063751	0	44	-1.0	-47.04	377.63	7.61	-39.43
O=C(OCC1=CC=CC=C1)N1CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)CC1	REAL300020063751	1	44	-1.0	-46.98	377.68	7.61	-39.37
COC(=O)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CN1C(=O)OC(C)(C)C	REAL300020063752	0	44	-1.0	-45.36	372.51	6.82	-38.54
COC(=O)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CN1C(=O)OC(C)(C)C	REAL300020063752	1	44	-1.0	-45.37	372.57	6.83	-38.54
COC(=O)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CN1C(=O)OC(C)(C)C	REAL300020063753	0	44	-1.0	-46.92	371.42	6.78	-40.14
COC(=O)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CN1C(=O)OC(C)(C)C	REAL300020063753	1	44	-1.0	-46.89	371.47	6.77	-40.12
CC(=O)N1N=CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020063754	0	33	-1.0	-43.48	292.14	4.48	-39.00
CC(=O)N1N=CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300020063754	1	33	-1.0	-43.50	292.20	4.48	-39.02
CC(=O)N1N=CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C21	REAL300020063755	0	33	-1.0	-54.16	292.45	4.44	-49.72
CC(=O)N1N=CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C21	REAL300020063755	1	33	-1.0	-54.11	292.50	4.43	-49.68
FC1(F)OC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2O1	REAL300020063756	0	28	-1.0	-38.71	269.93	3.80	-34.91
FC1(F)OC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2O1	REAL300020063756	1	28	-1.0	-38.70	269.99	3.81	-34.89
FC1(F)OC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2O1	REAL300020063757	0	28	-1.0	-47.35	270.28	3.77	-43.58
FC1(F)OC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2O1	REAL300020063757	1	28	-1.0	-47.35	270.34	3.77	-43.58
CS(=O)(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063758	0	31	-1.0	-46.02	284.50	2.02	-44.00
CS(=O)(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063758	1	31	-1.0	-45.98	284.56	2.03	-43.95
CS(=O)(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063759	0	31	-1.0	-50.55	284.83	1.99	-48.56
CS(=O)(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063759	1	31	-1.0	-50.47	284.88	1.98	-48.49
CN1C=C(COC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C=N1	REAL300020063760	0	39	-1.0	-43.37	337.98	5.54	-37.83
CN1C=C(COC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)C=N1	REAL300020063760	1	39	-1.0	-43.41	337.92	5.53	-37.88
CN1C=C(COC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C=N1	REAL300020063761	0	39	-1.0	-49.84	338.28	5.49	-44.35
CN1C=C(COC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)C=N1	REAL300020063761	1	39	-1.0	-49.87	338.23	5.50	-44.37
C1=CC(COC2CCOC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063762	0	40	-1.0	-40.82	336.20	4.64	-36.18
C1=CC(COC2CCOC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063762	1	40	-1.0	-40.77	336.26	4.65	-36.12
C1=CC(COC2CCOC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063763	0	40	-1.0	-46.13	336.52	4.61	-41.52
C1=CC(COC2CCOC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063763	1	40	-1.0	-46.11	336.57	4.60	-41.51
FC1=CC(OC(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063764	0	29	-1.0	-39.41	274.27	4.26	-35.15
FC1=CC(OC(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063764	1	29	-1.0	-39.40	274.33	4.27	-35.13
FC1=CC(OC(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063765	0	29	-1.0	-45.31	274.68	4.23	-41.08
FC1=CC(OC(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063765	1	29	-1.0	-45.30	274.73	4.22	-41.08
FC1=CC=C(OCC(F)(F)F)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063766	0	32	-1.0	-43.28	305.61	5.56	-37.72
FC1=CC=C(OCC(F)(F)F)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063766	1	32	-1.0	-43.22	305.67	5.57	-37.65
FC1=CC=C(OCC(F)(F)F)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063767	0	32	-1.0	-48.54	305.97	5.52	-43.02
FC1=CC=C(OCC(F)(F)F)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063767	1	32	-1.0	-48.45	306.03	5.51	-42.94
FC(F)SC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063768	0	29	-1.0	-41.21	273.61	5.75	-35.46
FC(F)SC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063768	1	29	-1.0	-41.18	273.67	5.76	-35.42
FC(F)SC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063769	0	29	-1.0	-44.21	273.92	5.71	-38.50
FC(F)SC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063769	1	29	-1.0	-44.20	273.97	5.70	-38.50
FC1=CC(COC2CCCCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063770	0	45	-1.0	-40.00	369.08	7.92	-32.08
FC1=CC(COC2CCCCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063770	1	45	-1.0	-40.02	369.15	7.93	-32.09
FC1=CC(COC2CCCCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063771	0	45	-1.0	-42.95	369.40	7.88	-35.07
FC1=CC(COC2CCCCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063771	1	45	-1.0	-42.95	369.45	7.88	-35.07
CC1=CC(OC(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063772	0	32	-1.0	-41.12	284.76	4.65	-36.47
CC1=CC(OC(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063772	1	32	-1.0	-41.13	284.84	4.66	-36.47
CC1=CC(OC(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063773	0	32	-1.0	-44.29	285.11	4.61	-39.68
CC1=CC(OC(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063773	1	32	-1.0	-44.28	285.15	4.60	-39.68
COC1=CC(OC(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063774	0	33	-1.0	-42.08	296.93	3.68	-38.40
COC1=CC(OC(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063774	1	33	-1.0	-42.03	297.00	3.69	-38.34
COC1=CC(OC(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063775	0	33	-1.0	-46.67	297.31	3.64	-43.03
COC1=CC(OC(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063775	1	33	-1.0	-46.69	297.36	3.64	-43.05
CC(C)C1=CC=C2SC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC2=C1	REAL300020063776	0	37	-1.0	-40.43	323.89	8.01	-32.42
CC(C)C1=CC=C2SC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC2=C1	REAL300020063776	1	37	-1.0	-40.36	323.95	8.01	-32.35
CC(C)C1=CC=C2SC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC2=C1	REAL300020063777	0	37	-1.0	-42.16	324.19	7.97	-34.19
CC(C)C1=CC=C2SC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC2=C1	REAL300020063777	1	37	-1.0	-42.17	324.24	7.96	-34.21
O=S1(=O)CCCN1CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063778	0	40	-1.0	-48.57	346.95	3.53	-45.04
O=S1(=O)CCCN1CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063778	1	40	-1.0	-48.51	347.01	3.54	-44.97
O=S1(=O)CCCN1CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063779	0	40	-1.0	-58.67	348.96	3.47	-55.20
O=S1(=O)CCCN1CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063779	1	40	-1.0	-58.68	349.00	3.47	-55.21
CC1=CC(C)=NN1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063780	0	41	-1.0	-45.92	348.91	7.19	-38.73
CC1=CC(C)=NN1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063780	1	41	-1.0	-45.86	348.97	7.21	-38.65
CC1=CC(C)=NN1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063781	0	41	-1.0	-47.81	349.22	7.16	-40.65
CC1=CC(C)=NN1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063781	1	41	-1.0	-47.77	349.27	7.15	-40.62
CN(C)C1=CC=CC2=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=CC=C12	REAL300020063782	0	39	-1.0	-38.32	324.37	6.52	-31.80
CN(C)C1=CC=CC2=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=CC=C12	REAL300020063782	1	39	-1.0	-38.28	324.44	6.53	-31.75
CN(C)C1=CC=CC2=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=CC=C12	REAL300020063783	0	39	-1.0	-43.18	324.71	6.49	-36.69
CN(C)C1=CC=CC2=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=CC=C12	REAL300020063783	1	39	-1.0	-43.09	324.78	6.48	-36.61
C1=NC(SCC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)=NN1	REAL300020063784	0	35	-1.0	-46.29	323.61	6.58	-39.71
C1=NC(SCC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)=NN1	REAL300020063784	1	35	-1.0	-46.28	323.67	6.59	-39.69
C1=NC(SCC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)=NN1	REAL300020063785	0	35	-1.0	-50.55	323.93	6.54	-44.01
C1=NC(SCC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)=NN1	REAL300020063785	1	35	-1.0	-50.56	323.98	6.54	-44.02
CC(C)(C)OC(=O)N1CCC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C1	REAL300020063786	0	43	-1.0	-40.14	350.42	5.70	-34.44
CC(C)(C)OC(=O)N1CCC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C1	REAL300020063786	1	43	-1.0	-40.12	350.49	5.70	-34.42
CC(C)(C)OC(=O)N1CCC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C1	REAL300020063787	0	43	-1.0	-46.94	350.81	5.66	-41.28
CC(C)(C)OC(=O)N1CCC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C1	REAL300020063787	1	43	-1.0	-46.95	350.87	5.64	-41.31
O=S(=O)(NCCO)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063788	0	37	-1.0	-44.31	332.57	-1.81	-46.12
O=S(=O)(NCCO)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063788	1	37	-1.0	-44.24	332.63	-1.79	-46.03
O=S(=O)(NCCO)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063789	0	37	-1.0	-49.58	332.88	-1.84	-51.42
O=S(=O)(NCCO)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063789	1	37	-1.0	-49.58	332.93	-1.85	-51.43
OCC1=C(OCC2=CC=CC=C2)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063790	0	43	-1.0	-43.50	366.61	5.34	-38.16
OCC1=C(OCC2=CC=CC=C2)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063790	1	43	-1.0	-43.46	366.67	5.36	-38.10
OCC1=C(OCC2=CC=CC=C2)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063791	0	43	-1.0	-45.21	366.99	5.29	-39.92
OCC1=C(OCC2=CC=CC=C2)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063791	1	43	-1.0	-45.22	367.03	5.28	-39.94
CC1=CC(C)=C(OCC2=CC=CC=C2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063792	0	45	-1.0	-40.81	382.63	9.53	-31.28
CC1=CC(C)=C(OCC2=CC=CC=C2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063792	1	45	-1.0	-40.82	382.69	9.54	-31.28
CC1=CC(C)=C(OCC2=CC=CC=C2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063793	0	45	-1.0	-46.92	383.01	9.49	-37.43
CC1=CC(C)=C(OCC2=CC=CC=C2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063793	1	45	-1.0	-46.92	383.05	9.49	-37.43
FC1=CC(CN2C=CN=C2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063794	0	35	-1.0	-46.90	313.54	7.81	-39.09
FC1=CC(CN2C=CN=C2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063794	1	35	-1.0	-46.85	313.60	7.82	-39.03
FC1=CC(CN2C=CN=C2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063795	0	35	-1.0	-48.40	313.86	7.78	-40.62
FC1=CC(CN2C=CN=C2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063795	1	35	-1.0	-48.36	313.91	7.77	-40.59
COC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C([N+](=O)[O-])=C1	REAL300020063796	0	33	-1.0	-42.17	306.85	5.65	-36.52
COC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C([N+](=O)[O-])=C1	REAL300020063796	1	33	-1.0	-42.16	306.91	5.66	-36.50
COC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C([N+](=O)[O-])=C1	REAL300020063797	0	33	-1.0	-51.61	310.51	5.83	-45.78
COC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C([N+](=O)[O-])=C1	REAL300020063797	1	33	-1.0	-51.56	310.58	5.82	-45.74
COC(=O)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL300020063798	0	33	-1.0	-40.83	306.79	5.80	-35.03
COC(=O)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL300020063798	1	33	-1.0	-40.85	306.85	5.82	-35.03
COC(=O)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC([N+](=O)[O-])=C1	REAL300020063799	0	33	-1.0	-44.73	307.10	5.77	-38.96
COC(=O)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC([N+](=O)[O-])=C1	REAL300020063799	1	33	-1.0	-44.68	307.15	5.76	-38.92
C[NH+](C)CCOC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063800	0	41	0.0	-56.68	337.56	6.47	-50.21
C[NH+](C)CCOC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063800	1	41	0.0	-56.69	337.62	6.48	-50.21
C[NH+](C)CCOC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063801	0	41	0.0	-58.51	337.50	6.44	-52.07
C[NH+](C)CCOC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063801	1	41	0.0	-58.50	337.56	6.43	-52.07
FC(F)(F)SC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063802	0	29	-1.0	-36.50	280.19	5.94	-30.56
FC(F)(F)SC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063802	1	29	-1.0	-36.51	280.25	5.96	-30.55
FC(F)(F)SC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063803	0	29	-1.0	-42.17	280.50	5.91	-36.26
FC(F)(F)SC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063803	1	29	-1.0	-42.14	280.55	5.90	-36.24
FC(F)(F)OC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063804	0	29	-1.0	-36.26	269.83	4.28	-31.98
FC(F)(F)OC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063804	1	29	-1.0	-36.24	269.89	4.29	-31.95
FC(F)(F)OC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063805	0	29	-1.0	-43.07	270.14	4.24	-38.83
FC(F)(F)OC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063805	1	29	-1.0	-43.03	270.20	4.23	-38.80
FC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OC(F)F	REAL300020063806	0	29	-1.0	-41.63	269.27	4.14	-37.49
FC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OC(F)F	REAL300020063806	1	29	-1.0	-41.62	269.33	4.15	-37.47
FC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OC(F)F	REAL300020063807	0	29	-1.0	-45.46	269.59	4.10	-41.36
FC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OC(F)F	REAL300020063807	1	29	-1.0	-45.46	269.64	4.09	-41.37
O=S(=O)([N-]C1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1)C1=CC=CC=C1	REAL300020063808	0	38	-2.0	-88.71	347.52	2.62	-86.09
O=S(=O)([N-]C1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1)C1=CC=CC=C1	REAL300020063808	1	38	-2.0	-88.67	347.58	2.63	-86.04
O=S(=O)(NC1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1)C1=CC=CC=C1	REAL300020063808	1	39	-1.0	-43.86	350.19	2.60	-41.26
O=S(=O)(NC1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1)C1=CC=CC=C1	REAL300020063808	1	39	-1.0	-43.82	350.25	2.61	-41.21
O=S(=O)([N-]C1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1)C1=CC=CC=C1	REAL300020063809	0	38	-2.0	-92.32	347.84	2.59	-89.73
O=S(=O)([N-]C1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1)C1=CC=CC=C1	REAL300020063809	1	38	-2.0	-92.30	347.89	2.59	-89.71
O=S(=O)(NC1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1)C1=CC=CC=C1	REAL300020063809	1	39	-1.0	-47.73	350.51	2.57	-45.16
O=S(=O)(NC1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1)C1=CC=CC=C1	REAL300020063809	1	39	-1.0	-47.71	350.56	2.56	-45.15
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OC1CCCCC1	REAL300020063810	0	42	-1.0	-39.51	334.70	7.25	-32.26
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OC1CCCCC1	REAL300020063810	1	42	-1.0	-39.48	334.77	7.26	-32.22
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OC1CCCCC1	REAL300020063811	0	42	-1.0	-43.54	335.03	7.22	-36.32
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OC1CCCCC1	REAL300020063811	1	42	-1.0	-43.50	335.07	7.21	-36.29
COC1=NC(C(F)(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063812	0	31	-1.0	-36.95	295.86	2.69	-34.26
COC1=NC(C(F)(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063812	1	31	-1.0	-36.87	295.93	2.70	-34.17
COC1=NC(C(F)(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063813	0	31	-1.0	-44.29	296.23	2.66	-41.63
COC1=NC(C(F)(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063813	1	31	-1.0	-44.23	296.30	2.65	-41.58
COCCCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063814	0	39	-1.0	-41.63	330.33	4.59	-37.04
COCCCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063814	1	39	-1.0	-41.58	330.39	4.60	-36.98
COCCCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063815	0	39	-1.0	-45.60	330.65	4.55	-41.05
COCCCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063815	1	39	-1.0	-45.58	330.69	4.54	-41.04
O=[N+]([O-])C1=CC=C(CCO)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063816	0	34	-1.0	-43.66	306.68	3.18	-40.48
O=[N+]([O-])C1=CC=C(CCO)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063816	1	34	-1.0	-43.64	306.75	3.19	-40.45
O=[N+]([O-])C1=CC=C(CCO)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063817	0	34	-1.0	-46.77	305.86	3.12	-43.65
O=[N+]([O-])C1=CC=C(CCO)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063817	1	34	-1.0	-46.70	305.92	3.12	-43.58
FC(F)(F)SC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063818	0	29	-1.0	-36.50	280.19	5.94	-30.56
FC(F)(F)SC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063818	1	29	-1.0	-36.51	280.25	5.96	-30.55
FC(F)(F)SC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063819	0	29	-1.0	-42.17	280.50	5.91	-36.26
FC(F)(F)SC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063819	1	29	-1.0	-42.14	280.55	5.90	-36.24
FC(F)(F)OC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063820	0	29	-1.0	-37.02	269.79	4.27	-32.75
FC(F)(F)OC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063820	1	29	-1.0	-37.00	269.86	4.28	-32.72
FC(F)(F)OC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063821	0	29	-1.0	-42.49	270.11	4.24	-38.25
FC(F)(F)OC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063821	1	29	-1.0	-42.45	270.16	4.24	-38.21
OCC1=CC(C(F)(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063822	0	32	-1.0	-36.96	293.37	2.92	-34.04
OCC1=CC(C(F)(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063822	1	32	-1.0	-36.96	293.43	2.93	-34.03
OCC1=CC(C(F)(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063823	0	32	-1.0	-42.37	293.08	2.95	-39.42
OCC1=CC(C(F)(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063823	1	32	-1.0	-42.33	293.14	2.94	-39.39
CC1=NN(C2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)C(C)=C1	REAL300020063824	0	38	-1.0	-42.01	323.00	6.68	-35.33
CC1=NN(C2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C(C)=C1	REAL300020063824	1	38	-1.0	-41.97	323.05	6.69	-35.28
CC1=NN(C2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)C(C)=C1	REAL300020063825	0	38	-1.0	-51.15	323.27	6.64	-44.51
CC1=NN(C2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C(C)=C1	REAL300020063825	1	38	-1.0	-51.15	323.33	6.63	-44.52
FC(F)(F)C1=CC=CC(OC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)=C1	REAL300020063826	0	39	-1.0	-41.87	351.57	8.34	-33.53
FC(F)(F)C1=CC=CC(OC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)=C1	REAL300020063826	1	39	-1.0	-41.84	351.63	8.36	-33.48
FC(F)(F)C1=CC=CC(OC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)=C1	REAL300020063827	0	39	-1.0	-45.54	351.89	8.31	-37.23
FC(F)(F)C1=CC=CC(OC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)=C1	REAL300020063827	1	39	-1.0	-45.46	351.94	8.30	-37.16
COCCOC1=CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2C=C1	REAL300020063828	0	42	-1.0	-43.81	354.74	6.25	-37.56
COCCOC1=CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2C=C1	REAL300020063828	1	42	-1.0	-43.80	354.80	6.26	-37.54
COCCOC1=CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2C=C1	REAL300020063829	0	42	-1.0	-47.27	355.05	6.22	-41.05
COCCOC1=CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2C=C1	REAL300020063829	1	42	-1.0	-47.23	355.10	6.21	-41.02
FC(F)(F)C1=CC=CC(N2C=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=N2)=C1	REAL300020063830	0	35	-1.0	-45.82	324.88	6.79	-39.03
FC(F)(F)C1=CC=CC(N2C=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=N2)=C1	REAL300020063830	1	35	-1.0	-45.74	324.94	6.80	-38.94
FC(F)(F)C1=CC=CC(N2C=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=N2)=C1	REAL300020063831	0	35	-1.0	-48.32	325.20	6.76	-41.56
FC(F)(F)C1=CC=CC(N2C=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=N2)=C1	REAL300020063831	1	35	-1.0	-48.31	325.24	6.76	-41.55
FC(F)(F)C(F)(C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1)C(F)(F)F	REAL300020063832	0	34	-1.0	-37.36	316.08	6.84	-30.52
FC(F)(F)C(F)(C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1)C(F)(F)F	REAL300020063832	1	34	-1.0	-37.33	316.15	6.85	-30.48
FC(F)(F)C(F)(C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1)C(F)(F)F	REAL300020063833	0	34	-1.0	-42.08	316.40	6.81	-35.27
FC(F)(F)C(F)(C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1)C(F)(F)F	REAL300020063833	1	34	-1.0	-41.97	316.45	6.80	-35.17
C1=CN(CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C=N1	REAL300020063834	0	35	-1.0	-44.88	307.13	7.75	-37.13
C1=CN(CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C=N1	REAL300020063834	1	35	-1.0	-44.86	307.19	7.76	-37.10
C1=CN(CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C=N1	REAL300020063835	0	35	-1.0	-49.46	307.44	7.72	-41.74
C1=CN(CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C=N1	REAL300020063835	1	35	-1.0	-49.47	307.50	7.71	-41.76
CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C(F)(F)F	REAL300020063836	0	31	-1.0	-36.71	278.22	6.01	-30.70
CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C(F)(F)F	REAL300020063836	1	31	-1.0	-36.66	278.28	6.02	-30.64
CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C(F)(F)F	REAL300020063837	0	31	-1.0	-44.31	278.53	5.97	-38.34
CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C(F)(F)F	REAL300020063837	1	31	-1.0	-44.27	278.58	5.96	-38.31
OCC1=CC2=C(C=C1C1=CN=CC(C3=N[N-]N=N3)=C1)OCCO2	REAL300020063838	0	35	-1.0	-41.66	299.16	1.09	-40.57
OCC1=CC2=C(C=C1C1=CN=CC(C3=NN=N[N-]3)=C1)OCCO2	REAL300020063838	1	35	-1.0	-41.58	299.22	1.10	-40.48
OCC1=CC2=C(C=C1C1=CC=C(C3=N[N-]N=N3)N=C1)OCCO2	REAL300020063839	0	35	-1.0	-44.59	299.52	1.05	-43.54
OCC1=CC2=C(C=C1C1=CC=C(C3=NN=N[N-]3)N=C1)OCCO2	REAL300020063839	1	35	-1.0	-44.54	299.57	1.04	-43.50
COC(=O)C1=CC=C(CO)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063840	0	35	-1.0	-43.60	309.35	2.59	-41.01
COC(=O)C1=CC=C(CO)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063840	1	35	-1.0	-43.54	309.41	2.60	-40.94
COC(=O)C1=CC=C(CO)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063841	0	35	-1.0	-44.77	309.76	2.56	-42.21
COC(=O)C1=CC=C(CO)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063841	1	35	-1.0	-44.75	309.82	2.55	-42.20
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C(F)(F)F)=C1	REAL300020063842	0	32	-1.0	-38.52	289.20	4.59	-33.93
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C(F)(F)F)=C1	REAL300020063842	1	32	-1.0	-38.58	289.27	4.60	-33.98
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C(F)(F)F)=C1	REAL300020063843	0	32	-1.0	-44.27	289.53	4.63	-39.64
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C(F)(F)F)=C1	REAL300020063843	1	32	-1.0	-44.24	289.58	4.62	-39.62
FC(F)(F)CC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063844	0	31	-1.0	-38.91	281.95	6.09	-32.82
FC(F)(F)CC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063844	1	31	-1.0	-38.87	282.03	6.10	-32.77
FC(F)(F)CC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063845	0	31	-1.0	-44.36	282.30	5.98	-38.38
FC(F)(F)CC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063845	1	31	-1.0	-44.30	282.35	5.99	-38.31
CC(C)(C)OC(=O)N1CCC2=C(C=C(C3=CN=CC(C4=N[N-]N=N4)=C3)S2)C1	REAL300020063846	0	46	-1.0	-42.76	383.70	7.06	-35.70
CC(C)(C)OC(=O)N1CCC2=C(C=C(C3=CN=CC(C4=NN=N[N-]4)=C3)S2)C1	REAL300020063846	1	46	-1.0	-42.72	383.76	7.07	-35.65
CC(C)(C)OC(=O)N1CCC2=C(C=C(C3=CC=C(C4=N[N-]N=N4)N=C3)S2)C1	REAL300020063847	0	46	-1.0	-45.08	384.02	7.01	-38.07
CC(C)(C)OC(=O)N1CCC2=C(C=C(C3=CC=C(C4=NN=N[N-]4)N=C3)S2)C1	REAL300020063847	1	46	-1.0	-45.05	384.07	7.01	-38.04
CC(C)(O)CC1=CC=C(N)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063848	0	40	-1.0	-41.87	323.46	1.38	-40.49
CC(C)(O)CC1=CC=C(N)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063848	1	40	-1.0	-41.82	323.52	1.39	-40.43
CC(C)(O)CC1=CC=C(N)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063849	0	40	-1.0	-43.76	324.75	1.35	-42.41
CC(C)(O)CC1=CC=C(N)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063849	1	40	-1.0	-43.71	324.80	1.34	-42.37
FC(F)(F)SC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020063850	0	28	-1.0	-41.62	280.17	4.62	-37.00
FC(F)(F)SC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020063850	1	28	-1.0	-41.55	280.23	4.63	-36.92
FC(F)(F)SC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL300020063851	0	28	-1.0	-43.78	280.49	4.59	-39.19
FC(F)(F)SC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL300020063851	1	28	-1.0	-43.75	280.54	4.58	-39.17
FC(F)(F)OC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063852	0	29	-1.0	-36.26	269.83	4.28	-31.98
FC(F)(F)OC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063852	1	29	-1.0	-36.24	269.89	4.29	-31.95
FC(F)(F)OC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063853	0	29	-1.0	-43.07	270.14	4.24	-38.83
FC(F)(F)OC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063853	1	29	-1.0	-43.03	270.20	4.23	-38.80
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C(F)(F)F	REAL300020063854	0	32	-1.0	-38.12	290.73	4.88	-33.24
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C(F)(F)F	REAL300020063854	1	32	-1.0	-38.09	290.79	4.89	-33.20
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C(F)(F)F	REAL300020063855	0	32	-1.0	-46.39	291.04	4.85	-41.54
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C(F)(F)F	REAL300020063855	1	32	-1.0	-46.37	291.09	4.84	-41.53
CC(C)(C)OC(=O)N1CC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2C1	REAL300020063856	0	46	-1.0	-42.92	378.09	6.83	-36.09
CC(C)(C)OC(=O)N1CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2C1	REAL300020063856	1	46	-1.0	-42.88	378.14	6.84	-36.04
CC(C)(C)OC(=O)N1CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2C1	REAL300020063857	0	46	-1.0	-50.28	378.47	6.79	-43.49
CC(C)(C)OC(=O)N1CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2C1	REAL300020063857	1	46	-1.0	-50.23	378.53	6.79	-43.44
COC1=NC=C2C(=C1)C(C1=CN=CC(C3=N[N-]N=N3)=C1)=CN2C	REAL300020063858	0	35	-1.0	-42.67	312.48	3.28	-39.39
COC1=NC=C2C(=C1)C(C1=CN=CC(C3=NN=N[N-]3)=C1)=CN2C	REAL300020063858	1	35	-1.0	-42.67	312.55	3.29	-39.38
COC1=NC=C2C(=C1)C(C1=CC=C(C3=N[N-]N=N3)N=C1)=CN2C	REAL300020063859	0	35	-1.0	-51.07	312.81	3.23	-47.84
COC1=NC=C2C(=C1)C(C1=CC=C(C3=NN=N[N-]3)N=C1)=CN2C	REAL300020063859	1	35	-1.0	-51.05	312.86	3.23	-47.82
NS(=O)(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020063860	0	30	-1.0	-43.60	291.12	-0.02	-43.62
NS(=O)(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020063860	1	30	-1.0	-43.63	291.18	-0.01	-43.64
NS(=O)(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL300020063861	0	30	-1.0	-47.64	291.38	-0.04	-47.68
NS(=O)(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL300020063861	1	30	-1.0	-47.60	291.43	-0.05	-47.65
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OCC1=CC=CC(Cl)=C1	REAL300020063862	0	42	-1.0	-40.17	371.85	9.02	-31.15
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OCC1=CC=CC(Cl)=C1	REAL300020063862	1	42	-1.0	-40.11	371.91	9.03	-31.08
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OCC1=CC=CC(Cl)=C1	REAL300020063863	0	42	-1.0	-45.44	372.17	8.99	-36.45
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OCC1=CC=CC(Cl)=C1	REAL300020063863	1	42	-1.0	-45.41	372.21	8.98	-36.43
CC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300020063864	0	42	-1.0	-39.57	371.85	9.03	-30.54
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300020063864	1	42	-1.0	-39.58	371.91	9.04	-30.54
CC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300020063865	0	42	-1.0	-45.12	372.16	9.00	-36.12
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300020063865	1	42	-1.0	-45.06	372.21	8.99	-36.07
ClC1=CC=C(OC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C=C1	REAL300020063866	0	36	-1.0	-39.56	329.22	7.86	-31.70
ClC1=CC=C(OC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C=C1	REAL300020063866	1	36	-1.0	-39.51	329.28	7.87	-31.64
ClC1=CC=C(OC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C=C1	REAL300020063867	0	36	-1.0	-43.51	329.56	7.82	-35.69
ClC1=CC=C(OC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C=C1	REAL300020063867	1	36	-1.0	-43.50	329.61	7.81	-35.69
ClC1=CC=C(COC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C=C1	REAL300020063868	0	39	-1.0	-41.11	351.80	8.29	-32.82
ClC1=CC=C(COC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C=C1	REAL300020063868	1	39	-1.0	-41.09	351.86	8.30	-32.79
ClC1=CC=C(COC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C=C1	REAL300020063869	0	39	-1.0	-45.24	352.12	8.25	-36.99
ClC1=CC=C(COC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C=C1	REAL300020063869	1	39	-1.0	-45.23	352.17	8.25	-36.98
FC(F)(F)OC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020063870	0	29	-1.0	-34.90	285.85	4.84	-30.06
FC(F)(F)OC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020063870	1	29	-1.0	-34.86	285.90	4.85	-30.01
FC(F)(F)OC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1Cl	REAL300020063871	0	29	-1.0	-43.31	286.16	4.80	-38.51
FC(F)(F)OC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1Cl	REAL300020063871	1	29	-1.0	-43.30	286.21	4.79	-38.51
FC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063872	0	39	-1.0	-38.98	363.03	8.48	-30.50
FC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063872	1	39	-1.0	-38.93	363.09	8.49	-30.44
FC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063873	0	39	-1.0	-44.42	363.44	8.48	-35.94
FC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063873	1	39	-1.0	-44.37	363.49	8.47	-35.90
COCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020063874	0	33	-1.0	-41.64	301.44	4.47	-37.17
COCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020063874	1	33	-1.0	-41.67	301.50	4.48	-37.19
COCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL300020063875	0	33	-1.0	-45.16	301.75	4.43	-40.73
COCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL300020063875	1	33	-1.0	-45.10	301.80	4.42	-40.68
ClC1=CC=C(OC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)C=C1	REAL300020063876	0	36	-1.0	-37.66	329.27	7.84	-29.82
ClC1=CC=C(OC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C=C1	REAL300020063876	1	36	-1.0	-37.63	329.33	7.85	-29.78
ClC1=CC=C(OC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)C=C1	REAL300020063877	0	36	-1.0	-44.14	329.59	7.81	-36.33
ClC1=CC=C(OC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C=C1	REAL300020063877	1	36	-1.0	-44.05	329.64	7.81	-36.24
CC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063878	0	42	-1.0	-39.35	373.52	8.86	-30.49
CC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063878	1	42	-1.0	-39.33	373.58	8.87	-30.46
CC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063879	0	42	-1.0	-44.18	373.85	8.83	-35.35
CC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063879	1	42	-1.0	-44.14	373.90	8.82	-35.32
ClC1=CC=C(C2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)C=C1	REAL300020063880	0	35	-1.0	-39.33	314.75	8.42	-30.91
ClC1=CC=C(C2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C=C1	REAL300020063880	1	35	-1.0	-39.31	314.81	8.44	-30.87
ClC1=CC=C(C2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)C=C1	REAL300020063881	0	35	-1.0	-44.76	315.07	8.39	-36.37
ClC1=CC=C(C2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C=C1	REAL300020063881	1	35	-1.0	-44.78	315.12	8.38	-36.40
ClC1=CC=C2SC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC2=N1	REAL300020063882	0	27	-1.0	-38.38	275.35	4.63	-33.75
ClC1=CC=C2SC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC2=N1	REAL300020063882	1	27	-1.0	-38.39	275.41	4.63	-33.76
ClC1=CC=C2SC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC2=N1	REAL300020063883	0	27	-1.0	-43.85	275.66	4.59	-39.26
ClC1=CC=C2SC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC2=N1	REAL300020063883	1	27	-1.0	-43.86	275.71	4.58	-39.28
CC(=O)N1CCN(CC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)CC1	REAL300020063884	0	47	-1.0	-44.59	376.87	4.88	-39.71
CC(=O)N1CCN(CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)CC1	REAL300020063884	1	47	-1.0	-44.54	376.93	4.89	-39.65
CC(=O)N1CC[NH+](CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)CC1	REAL300020063884	1	48	0.0	-79.05	378.94	7.06	-71.99
CC(=O)N1CCN(CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)CC1	REAL300020063885	0	47	-1.0	-47.89	375.43	4.75	-43.14
CC(=O)N1CCN(CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)CC1	REAL300020063885	1	47	-1.0	-47.86	375.48	4.74	-43.12
CC(=O)N1CC[NH+](CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)CC1	REAL300020063885	1	48	0.0	-80.26	378.20	6.95	-73.31
CC(=O)N1CC[NH+](CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)CC1	REAL300020063885	1	48	0.0	-80.29	378.25	6.95	-73.34
FC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C(F)(F)F	REAL300020063886	0	28	-1.0	-38.69	263.17	5.23	-33.46
FC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C(F)(F)F	REAL300020063886	1	28	-1.0	-38.66	263.23	5.25	-33.41
FC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C(F)(F)F	REAL300020063887	0	28	-1.0	-47.72	263.54	5.20	-42.52
FC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C(F)(F)F	REAL300020063887	1	28	-1.0	-47.66	263.58	5.19	-42.47
FC1=CC(OCC(F)(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063888	0	32	-1.0	-39.34	305.97	5.38	-33.96
FC1=CC(OCC(F)(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063888	1	32	-1.0	-39.30	306.03	5.39	-33.91
FC1=CC(OCC(F)(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063889	0	32	-1.0	-44.54	306.37	5.38	-39.16
FC1=CC(OCC(F)(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063889	1	32	-1.0	-44.54	306.41	5.37	-39.17
FC1=CC(OCC(F)(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063890	0	32	-1.0	-39.34	305.97	5.38	-33.96
FC1=CC(OCC(F)(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063890	1	32	-1.0	-39.30	306.03	5.39	-33.91
FC1=CC(OCC(F)(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063891	0	32	-1.0	-44.54	306.37	5.38	-39.16
FC1=CC(OCC(F)(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063891	1	32	-1.0	-44.54	306.41	5.37	-39.17
O=C1CCN(C2=NC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=N2)CC1	REAL300020063892	0	37	-1.0	-41.17	313.74	4.56	-36.61
O=C1CCN(C2=NC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=N2)CC1	REAL300020063892	1	37	-1.0	-41.13	313.80	4.57	-36.56
O=C1CCN(C2=NC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=N2)CC1	REAL300020063893	0	37	-1.0	-46.46	314.06	4.53	-41.93
O=C1CCN(C2=NC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=N2)CC1	REAL300020063893	1	37	-1.0	-46.39	314.11	4.52	-41.87
CC(C)(C)OC(=O)NC1=CC=C(F)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063894	0	42	-1.0	-42.03	356.95	4.96	-37.07
CC(C)(C)OC(=O)NC1=CC=C(F)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063894	1	42	-1.0	-43.35	357.29	4.98	-38.37
CC(C)(C)OC(=O)NC1=CC=C(F)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063895	0	42	-1.0	-48.45	357.60	4.92	-43.53
CC(C)(C)OC(=O)NC1=CC=C(F)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063895	1	42	-1.0	-48.39	357.66	4.91	-43.48
O=C1NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C(F)(F)F	REAL300020063896	0	28	-1.0	-42.62	272.79	2.72	-39.90
O=C1NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C(F)(F)F	REAL300020063896	1	28	-1.0	-42.62	272.86	2.73	-39.89
O=C1NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C(F)(F)F	REAL300020063897	0	28	-1.0	-50.33	273.13	2.68	-47.65
O=C1NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C(F)(F)F	REAL300020063897	1	28	-1.0	-50.32	273.18	2.67	-47.65
C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C[NH+]2CCCCC2)=C1	REAL300020063898	0	44	0.0	-52.22	343.93	8.26	-43.96
C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C[NH+]2CCCCC2)=C1	REAL300020063898	1	44	0.0	-52.22	343.87	8.25	-43.97
C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C[NH+]2CCCCC2)=C1	REAL300020063899	0	44	0.0	-54.42	344.23	8.20	-46.22
C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C[NH+]2CCCCC2)=C1	REAL300020063899	1	44	0.0	-54.40	344.18	8.21	-46.19
COC1=CC=C(CSC)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063900	0	36	-1.0	-41.07	323.90	5.99	-35.08
COC1=CC=C(CSC)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063900	1	36	-1.0	-41.11	323.96	6.00	-35.11
COC1=CC=C(CSC)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063901	0	36	-1.0	-46.42	324.25	5.95	-40.47
COC1=CC=C(CSC)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063901	1	36	-1.0	-46.39	324.31	5.95	-40.44
C1=CN(CC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2)C=N1	REAL300020063902	0	35	-1.0	-45.29	307.13	7.74	-37.55
C1=CN(CC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2)C=N1	REAL300020063902	1	35	-1.0	-45.25	307.20	7.75	-37.50
C1=CN(CC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2)C=N1	REAL300020063903	0	35	-1.0	-49.68	307.45	7.71	-41.97
C1=CN(CC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2)C=N1	REAL300020063903	1	35	-1.0	-49.62	307.50	7.70	-41.92
COC(=O)C1=CC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2N1	REAL300020063904	0	35	-1.0	-41.12	311.70	5.02	-36.10
COC(=O)C1=CC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2N1	REAL300020063904	1	35	-1.0	-41.08	311.76	5.03	-36.05
COC(=O)C1=CC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2N1	REAL300020063905	0	35	-1.0	-46.04	312.01	4.98	-41.06
COC(=O)C1=CC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2N1	REAL300020063905	1	35	-1.0	-46.01	312.07	4.98	-41.03
C1=CC=C(COC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C=C1	REAL300020063906	0	39	-1.0	-40.34	335.07	7.77	-32.57
C1=CC=C(COC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C=C1	REAL300020063906	1	39	-1.0	-40.30	335.13	7.78	-32.52
C1=CC=C(COC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C=C1	REAL300020063907	0	39	-1.0	-45.31	335.38	7.73	-37.58
C1=CC=C(COC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C=C1	REAL300020063907	1	39	-1.0	-45.27	335.43	7.73	-37.54
CC1=NN(C2=NC=CS2)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063908	0	31	-1.0	-42.56	294.66	4.54	-38.02
CC1=NN(C2=NC=CS2)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063908	1	31	-1.0	-42.54	294.60	4.53	-38.01
CC1=NN(C2=NC=CS2)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063909	0	31	-1.0	-48.07	297.49	4.59	-43.48
CC1=NN(C2=NC=CS2)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063909	1	31	-1.0	-48.11	297.44	4.60	-43.51
CS(C)(=O)=NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063910	0	35	-1.0	-56.74	304.71	2.88	-53.86
CS(C)(=O)=NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063910	1	35	-1.0	-56.77	304.77	2.89	-53.88
CS(C)(=O)=NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063911	0	35	-1.0	-60.64	305.01	2.86	-57.78
CS(C)(=O)=NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063911	1	35	-1.0	-60.62	305.07	2.84	-57.78
O=C1CCC(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)N1	REAL300020063912	0	36	-1.0	-47.15	307.16	4.00	-43.15
O=C1CCC(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)N1	REAL300020063912	1	36	-1.0	-47.14	307.23	4.01	-43.13
O=C1CCC(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)N1	REAL300020063913	0	36	-1.0	-49.39	307.51	3.96	-45.43
O=C1CCC(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)N1	REAL300020063913	1	36	-1.0	-49.35	307.56	3.95	-45.40
FC1=CC(OC(F)(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063914	0	29	-1.0	-35.54	281.01	4.49	-31.05
FC1=CC(OC(F)(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063914	1	29	-1.0	-35.53	281.07	4.48	-31.05
FC1=CC(OC(F)(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063915	0	29	-1.0	-42.18	281.42	4.45	-37.73
FC1=CC(OC(F)(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063915	1	29	-1.0	-42.15	281.47	4.45	-37.70
CC(C)(C)OC(=O)N1CCC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020063916	0	46	-1.0	-46.34	370.64	7.31	-39.03
CC(C)(C)OC(=O)N1CCC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300020063916	1	46	-1.0	-46.29	370.70	7.32	-38.97
CC(C)(C)OC(=O)N1CCC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C21	REAL300020063917	0	46	-1.0	-47.55	370.95	7.28	-40.27
CC(C)(C)OC(=O)N1CCC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C21	REAL300020063917	1	46	-1.0	-47.52	371.00	7.27	-40.25
CC1=C(Br)C=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063918	0	28	-1.0	-38.01	265.21	5.72	-32.29
CC1=C(Br)C=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063918	1	28	-1.0	-37.97	265.26	5.73	-32.24
CC1=C(Br)C=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063919	0	28	-1.0	-41.89	264.05	5.56	-36.33
CC1=C(Br)C=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063919	1	28	-1.0	-41.90	264.09	5.55	-36.35
CC(C)(C)OC(=O)N1CCC(=CC2=CN=CC(C3=N[N-]N=N3)=C2)CC1	REAL300020063920	0	46	-1.0	-42.48	363.03	6.18	-36.30
CC(C)(C)OC(=O)N1CCC(=CC2=CN=CC(C3=NN=N[N-]3)=C2)CC1	REAL300020063920	1	46	-1.0	-42.44	363.08	6.18	-36.26
CC(C)(C)OC(=O)N1CCC(=CC2=CC=C(C3=N[N-]N=N3)N=C2)CC1	REAL300020063921	0	46	-1.0	-46.04	363.34	6.13	-39.91
CC(C)(C)OC(=O)N1CCC(=CC2=CC=C(C3=NN=N[N-]3)N=C2)CC1	REAL300020063921	1	46	-1.0	-45.99	363.39	6.13	-39.86
FC1(F)CC(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C1(F)F	REAL300020063922	0	35	-1.0	-42.43	312.37	7.30	-35.13
FC1(F)CC(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C1(F)F	REAL300020063922	1	35	-1.0	-42.35	312.44	7.31	-35.04
FC1(F)CC(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C1(F)F	REAL300020063923	0	35	-1.0	-46.55	312.67	7.27	-39.28
FC1(F)CC(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C1(F)F	REAL300020063923	1	35	-1.0	-46.55	312.73	7.26	-39.29
CC(C)(C)OC(=O)N1CCOC2=C(C=CC=C2C2=CN=CC(C3=N[N-]N=N3)=C2)C1	REAL300020063924	0	50	-1.0	-40.84	403.19	6.97	-33.87
CC(C)(C)OC(=O)N1CCOC2=C(C=CC=C2C2=CN=CC(C3=NN=N[N-]3)=C2)C1	REAL300020063924	1	50	-1.0	-40.83	403.24	6.98	-33.85
CC(C)(C)OC(=O)N1CCOC2=C(C=CC=C2C2=CC=C(C3=N[N-]N=N3)N=C2)C1	REAL300020063925	0	50	-1.0	-45.73	400.27	6.84	-38.89
CC(C)(C)OC(=O)N1CCOC2=C(C=CC=C2C2=CC=C(C3=NN=N[N-]3)N=C2)C1	REAL300020063925	1	50	-1.0	-45.67	400.30	6.83	-38.84
CN1N=C(Br)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063926	0	25	-1.0	-35.69	246.59	2.53	-33.16
CN1N=C(Br)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063926	1	25	-1.0	-35.64	246.65	2.53	-33.11
CN1N=C(Br)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063927	0	25	-1.0	-41.51	246.94	2.49	-39.02
CN1N=C(Br)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063927	1	25	-1.0	-41.44	246.99	2.48	-38.96
O=C1NCCOC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020063928	0	34	-1.0	-43.09	292.16	1.70	-41.39
O=C1NCCOC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300020063928	1	34	-1.0	-43.11	292.23	1.72	-41.39
O=C1NCCOC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C21	REAL300020063929	0	34	-1.0	-52.03	292.48	1.67	-50.36
O=C1NCCOC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C21	REAL300020063929	1	34	-1.0	-52.01	292.54	1.66	-50.35
C1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)SC(C2=CC=CC=C2)=N1	REAL300020063930	0	31	-1.0	-40.02	292.09	5.66	-34.36
C1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)SC(C2=CC=CC=C2)=N1	REAL300020063930	1	31	-1.0	-40.04	292.03	5.66	-34.38
C1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)SC(C2=CC=CC=C2)=N1	REAL300020063931	0	31	-1.0	-43.28	292.39	5.59	-37.69
C1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)SC(C2=CC=CC=C2)=N1	REAL300020063931	1	31	-1.0	-43.35	292.34	5.59	-37.76
C1=CC=C2C(=C1)CC1=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C12	REAL300020063932	0	36	-1.0	-40.03	308.05	8.60	-31.43
C1=CC=C2C(=C1)CC1=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C12	REAL300020063932	1	36	-1.0	-40.05	308.11	8.61	-31.44
C1=CC=C2C(=C1)CC1=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C12	REAL300020063933	0	36	-1.0	-46.35	308.37	8.56	-37.79
C1=CC=C2C(=C1)CC1=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C12	REAL300020063933	1	36	-1.0	-46.33	308.42	8.56	-37.77
CC(C)(C)OC(=O)N1CCOC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2C1	REAL300020063934	0	50	-1.0	-42.63	398.37	6.66	-35.97
CC(C)(C)OC(=O)N1CCOC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2C1	REAL300020063934	1	50	-1.0	-42.62	398.42	6.67	-35.95
CC(C)(C)OC(=O)N1CCOC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2C1	REAL300020063935	0	50	-1.0	-46.75	398.68	6.62	-40.13
CC(C)(C)OC(=O)N1CCOC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2C1	REAL300020063935	1	50	-1.0	-46.70	398.74	6.62	-40.08
CC1OC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2NC1=O	REAL300020063936	0	34	-1.0	-39.82	294.63	2.49	-37.33
CC1OC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2NC1=O	REAL300020063936	1	34	-1.0	-39.82	294.70	2.50	-37.32
CC1OC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2NC1=O	REAL300020063937	0	34	-1.0	-46.54	294.96	2.46	-44.08
CC1OC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2NC1=O	REAL300020063937	1	34	-1.0	-46.50	295.00	2.45	-44.05
CC(=O)N1C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2CC1(C)C	REAL300020063938	0	42	-1.0	-49.67	333.55	6.51	-43.16
CC(=O)N1C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2CC1(C)C	REAL300020063938	1	42	-1.0	-49.68	333.61	6.53	-43.15
CC(=O)N1C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2CC1(C)C	REAL300020063939	0	42	-1.0	-50.23	333.64	6.47	-43.76
CC(=O)N1C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2CC1(C)C	REAL300020063939	1	42	-1.0	-50.22	333.68	6.46	-43.76
COCOC1=CC=C(C#N)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063940	0	34	-1.0	-42.57	310.67	4.57	-38.00
COCOC1=CC=C(C#N)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063940	1	34	-1.0	-42.55	310.74	4.57	-37.98
COCOC1=CC=C(C#N)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063941	0	34	-1.0	-46.13	311.03	4.54	-41.59
COCOC1=CC=C(C#N)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063941	1	34	-1.0	-46.14	311.09	4.53	-41.61
CC(C)(C)OC(=O)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063942	0	40	-1.0	-39.25	333.51	7.18	-32.07
CC(C)(C)OC(=O)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063942	1	40	-1.0	-39.18	333.57	7.19	-31.99
CC(C)(C)OC(=O)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063943	0	40	-1.0	-48.14	333.83	7.15	-40.99
CC(C)(C)OC(=O)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063943	1	40	-1.0	-48.14	333.88	7.14	-41.00
ClC1=CC(Cl)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020063944	0	25	-1.0	-34.65	274.44	5.96	-28.69
ClC1=CC(Cl)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020063944	1	25	-1.0	-34.64	274.51	5.97	-28.67
ClC1=CC(Cl)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL300020063945	0	25	-1.0	-40.26	274.83	5.93	-34.33
ClC1=CC(Cl)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL300020063945	1	25	-1.0	-40.23	274.88	5.93	-34.30
O=S(=O)(C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(CO)=C1)N1CCCC1	REAL300020063946	0	44	-1.0	-43.57	377.11	1.04	-42.53
O=S(=O)(C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(CO)=C1)N1CCCC1	REAL300020063946	1	44	-1.0	-43.54	377.16	1.05	-42.49
O=S(=O)(C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(CO)=C1)N1CCCC1	REAL300020063947	0	44	-1.0	-46.96	377.48	1.01	-45.95
O=S(=O)(C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(CO)=C1)N1CCCC1	REAL300020063947	1	44	-1.0	-46.88	377.51	1.00	-45.88
CS(=O)(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020063948	0	31	-1.0	-44.76	303.22	2.54	-42.22
CS(=O)(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020063948	1	31	-1.0	-44.73	303.27	2.55	-42.18
CS(=O)(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1	REAL300020063949	0	31	-1.0	-50.12	303.63	2.51	-47.61
CS(=O)(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1	REAL300020063949	1	31	-1.0	-50.12	303.68	2.50	-47.62
C1=CC=C(COC2=CC=CC=C2C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063950	0	39	-1.0	-41.49	339.53	8.08	-33.41
C1=CC=C(COC2=CC=CC=C2C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063950	1	39	-1.0	-41.46	339.59	8.09	-33.37
C1=CC=C(COC2=CC=CC=C2C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063951	0	39	-1.0	-46.88	339.89	8.05	-38.83
C1=CC=C(COC2=CC=CC=C2C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063951	1	39	-1.0	-46.84	339.96	8.04	-38.80
FC1=CC(OCC2=CC=CC=C2)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063952	0	39	-1.0	-38.79	346.31	7.97	-30.82
FC1=CC(OCC2=CC=CC=C2)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063952	1	39	-1.0	-38.80	346.36	7.98	-30.82
FC1=CC(OCC2=CC=CC=C2)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063953	0	39	-1.0	-43.97	346.71	7.97	-36.00
FC1=CC(OCC2=CC=CC=C2)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063953	1	39	-1.0	-44.02	346.74	7.96	-36.06
FC1=CC(C(F)(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063954	0	28	-1.0	-40.06	273.84	5.73	-34.33
FC1=CC(C(F)(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063954	1	28	-1.0	-40.01	273.90	5.74	-34.27
FC1=CC(C(F)(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063955	0	28	-1.0	-42.98	274.16	5.65	-37.33
FC1=CC(C(F)(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063955	1	28	-1.0	-42.96	274.23	5.65	-37.31
FC1=CC(C2=CC=CC=C2)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063956	0	35	-1.0	-38.54	309.20	8.09	-30.45
FC1=CC(C2=CC=CC=C2)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063956	1	35	-1.0	-38.53	309.26	8.10	-30.43
FC1=CC(C2=CC=CC=C2)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063957	0	35	-1.0	-45.34	309.60	8.06	-37.28
FC1=CC(C2=CC=CC=C2)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063957	1	35	-1.0	-45.29	309.65	8.06	-37.23
CC1=CC(C(F)(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063958	0	31	-1.0	-36.64	284.63	6.09	-30.55
CC1=CC(C(F)(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063958	1	31	-1.0	-36.60	284.68	6.10	-30.50
CC1=CC(C(F)(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063959	0	31	-1.0	-41.18	284.60	6.04	-35.14
CC1=CC(C(F)(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063959	1	31	-1.0	-41.12	284.66	6.03	-35.09
COC1=CC(C(F)(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063960	0	32	-1.0	-37.50	296.43	5.10	-32.40
COC1=CC(C(F)(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063960	1	32	-1.0	-37.51	296.51	5.11	-32.40
COC1=CC(C(F)(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063961	0	32	-1.0	-43.49	297.17	5.07	-38.42
COC1=CC(C(F)(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063961	1	32	-1.0	-43.45	297.20	5.07	-38.38
COC1=CC(OC(F)(F)F)=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063962	0	33	-1.0	-37.94	303.67	3.90	-34.04
COC1=CC(OC(F)(F)F)=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063962	1	33	-1.0	-37.93	303.74	3.91	-34.02
COC1=CC(OC(F)(F)F)=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063963	0	33	-1.0	-43.34	304.06	3.87	-39.47
COC1=CC(OC(F)(F)F)=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063963	1	33	-1.0	-43.30	304.11	3.86	-39.44
FC1=CC(OCC2=CC=CC=C2)=CC(F)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063964	0	39	-1.0	-40.69	353.69	8.09	-32.60
FC1=CC(OCC2=CC=CC=C2)=CC(F)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063964	1	39	-1.0	-40.67	353.76	8.11	-32.56
FC1=CC(OCC2=CC=CC=C2)=CC(F)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063965	0	39	-1.0	-44.35	354.06	8.05	-36.30
FC1=CC(OCC2=CC=CC=C2)=CC(F)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063965	1	39	-1.0	-44.31	354.12	8.05	-36.26
C1=CC=C(COC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)C=C1	REAL300020063966	0	39	-1.0	-39.64	335.10	7.76	-31.88
C1=CC=C(COC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C=C1	REAL300020063966	1	39	-1.0	-39.58	335.16	7.77	-31.81
C1=CC=C(COC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)C=C1	REAL300020063967	0	39	-1.0	-46.13	335.41	7.73	-38.40
C1=CC=C(COC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C=C1	REAL300020063967	1	39	-1.0	-46.14	335.46	7.72	-38.42
FC(F)(F)C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020063968	0	28	-1.0	-35.67	275.69	5.90	-29.77
FC(F)(F)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020063968	1	28	-1.0	-35.65	275.75	5.91	-29.74
FC(F)(F)C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1Cl	REAL300020063969	0	28	-1.0	-43.68	276.00	5.87	-37.81
FC(F)(F)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1Cl	REAL300020063969	1	28	-1.0	-43.61	276.05	5.86	-37.75
CS(=O)(=O)NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063970	0	33	-1.0	-44.06	300.87	1.10	-42.96
CS(=O)(=O)NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063970	1	33	-1.0	-44.03	300.93	1.11	-42.92
CS(=O)(=O)NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063971	0	33	-1.0	-50.11	297.66	1.16	-48.95
CS(=O)(=O)NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063971	1	33	-1.0	-50.06	297.70	1.15	-48.91
COC1=CC=C(CSC)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063972	0	36	-1.0	-41.07	323.90	5.99	-35.08
COC1=CC=C(CSC)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063972	1	36	-1.0	-41.11	323.96	6.00	-35.11
COC1=CC=C(CSC)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063973	0	36	-1.0	-46.42	324.25	5.95	-40.47
COC1=CC=C(CSC)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063973	1	36	-1.0	-46.39	324.31	5.95	-40.44
CNC(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020063974	0	32	-1.0	-41.25	298.91	3.27	-37.98
CNC(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020063974	1	32	-1.0	-41.23	298.97	3.28	-37.95
CNC(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1	REAL300020063975	0	32	-1.0	-49.68	299.32	3.24	-46.44
CNC(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1	REAL300020063975	1	32	-1.0	-49.67	299.37	3.24	-46.43
CN(C)C(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020063976	0	35	-1.0	-42.09	311.75	4.67	-37.42
CN(C)C(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020063976	1	35	-1.0	-42.12	311.81	4.68	-37.44
CN(C)C(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1	REAL300020063977	0	35	-1.0	-45.77	313.16	4.84	-40.93
CN(C)C(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1	REAL300020063977	1	35	-1.0	-45.77	313.22	4.83	-40.94
CS(=O)(=O)NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063978	0	33	-1.0	-44.06	300.87	1.10	-42.96
CS(=O)(=O)NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063978	1	33	-1.0	-44.03	300.93	1.11	-42.92
CS(=O)(=O)NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063979	0	33	-1.0	-50.11	297.66	1.16	-48.95
CS(=O)(=O)NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063979	1	33	-1.0	-50.06	297.70	1.15	-48.91
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063980	0	45	-1.0	-41.14	371.76	4.93	-36.21
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063980	1	45	-1.0	-41.14	371.82	4.94	-36.20
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063981	0	45	-1.0	-47.17	372.07	4.89	-42.28
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063981	1	45	-1.0	-47.11	372.12	4.89	-42.22
FC(F)(F)C1=CC=C(OC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C=C1	REAL300020063982	0	39	-1.0	-39.08	352.96	8.41	-30.67
FC(F)(F)C1=CC=C(OC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C=C1	REAL300020063982	1	39	-1.0	-39.07	353.02	8.42	-30.65
FC(F)(F)C1=CC=C(OC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C=C1	REAL300020063983	0	39	-1.0	-44.01	351.55	8.30	-35.71
FC(F)(F)C1=CC=C(OC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C=C1	REAL300020063983	1	39	-1.0	-43.90	351.60	8.30	-35.60
CC(C)(C)OC(=O)N1CCOC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2C1	REAL300020063984	0	50	-1.0	-42.07	398.43	6.68	-35.39
CC(C)(C)OC(=O)N1CCOC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2C1	REAL300020063984	1	50	-1.0	-42.00	398.50	6.69	-35.31
CC(C)(C)OC(=O)N1CCOC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2C1	REAL300020063985	0	50	-1.0	-49.02	398.74	6.63	-42.39
CC(C)(C)OC(=O)N1CCOC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2C1	REAL300020063985	1	50	-1.0	-49.03	398.80	6.64	-42.39
CC(C)(C)OC(=O)NC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020063986	0	41	-1.0	-49.14	342.09	4.43	-44.71
CC(C)(C)OC(=O)NC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020063986	1	41	-1.0	-49.13	342.15	4.44	-44.69
CC(C)(C)OC(=O)NC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=N1	REAL300020063987	0	41	-1.0	-49.54	342.40	4.39	-45.15
CC(C)(C)OC(=O)NC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=N1	REAL300020063987	1	41	-1.0	-49.55	342.45	4.39	-45.16
CC(C)(C)OC(=O)NC1=CC=NC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063988	0	41	-1.0	-37.17	343.78	3.64	-33.53
CC(C)(C)OC(=O)NC1=CC=NC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063988	1	41	-1.0	-37.18	343.82	3.64	-33.54
CC(C)(C)OC(=O)NC1=CC=NC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063989	0	41	-1.0	-42.82	344.08	3.59	-39.23
CC(C)(C)OC(=O)NC1=CC=NC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063989	1	41	-1.0	-42.82	344.13	3.60	-39.22
ClC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC(Cl)=C1Cl	REAL300020063990	0	25	-1.0	-35.81	270.90	5.93	-29.88
ClC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC(Cl)=C1Cl	REAL300020063990	1	25	-1.0	-35.76	270.96	5.94	-29.82
ClC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC(Cl)=C1Cl	REAL300020063991	0	25	-1.0	-40.76	271.21	5.89	-34.87
ClC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(Cl)=C1Cl	REAL300020063991	1	25	-1.0	-40.72	271.26	5.88	-34.84
COC1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C(F)(F)F	REAL300020063992	0	31	-1.0	-37.27	288.66	2.28	-34.99
COC1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C(F)(F)F	REAL300020063992	1	31	-1.0	-37.25	288.72	2.29	-34.96
COC1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C(F)(F)F	REAL300020063993	0	31	-1.0	-44.13	288.97	2.25	-41.88
COC1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C(F)(F)F	REAL300020063993	1	31	-1.0	-44.13	289.02	2.24	-41.89
FC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=CC(Cl)=C1Cl	REAL300020063994	0	25	-1.0	-41.33	266.51	5.68	-35.65
FC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=CC(Cl)=C1Cl	REAL300020063994	1	25	-1.0	-41.34	266.58	5.69	-35.65
FC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=CC(Cl)=C1Cl	REAL300020063995	0	25	-1.0	-42.13	266.87	5.64	-36.49
FC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=CC(Cl)=C1Cl	REAL300020063995	1	25	-1.0	-42.05	266.92	5.63	-36.42
ClC1=CC(Cl)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020063996	0	25	-1.0	-34.65	274.44	5.96	-28.69
ClC1=CC(Cl)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020063996	1	25	-1.0	-34.64	274.51	5.97	-28.67
ClC1=CC(Cl)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL300020063997	0	25	-1.0	-40.26	274.83	5.93	-34.33
ClC1=CC(Cl)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL300020063997	1	25	-1.0	-40.23	274.88	5.93	-34.30
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1F	REAL300020063998	0	29	-1.0	-44.29	277.75	4.41	-39.88
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1F	REAL300020063998	1	29	-1.0	-44.25	277.82	4.42	-39.83
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1F	REAL300020063999	0	29	-1.0	-44.78	278.04	4.37	-40.41
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1F	REAL300020063999	1	29	-1.0	-44.73	278.10	4.36	-40.37
ClC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1Cl	REAL300020064000	0	25	-1.0	-40.01	272.97	5.98	-34.03
ClC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1Cl	REAL300020064000	1	25	-1.0	-39.97	273.04	5.99	-33.98
ClC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=C1Cl	REAL300020064001	0	25	-1.0	-41.27	273.34	5.94	-35.33
ClC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=C1Cl	REAL300020064001	1	25	-1.0	-41.28	273.39	5.94	-35.34
CN(C)C1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020064002	0	32	-1.0	-37.45	292.07	3.71	-33.74
CN(C)C1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020064002	1	32	-1.0	-37.38	292.13	3.72	-33.66
CN(C)C1=NC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL300020064003	0	32	-1.0	-42.54	292.39	3.67	-38.87
CN(C)C1=NC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL300020064003	1	32	-1.0	-42.46	292.43	3.67	-38.79
FC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=C1	REAL300020064004	0	32	-1.0	-39.19	296.99	5.92	-33.27
FC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=NN1C1=CC=CC=C1	REAL300020064004	1	32	-1.0	-39.10	297.06	5.93	-33.17
FC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=NN1C1=CC=CC=C1	REAL300020064005	0	32	-1.0	-45.50	297.42	5.88	-39.62
FC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=NN1C1=CC=CC=C1	REAL300020064005	1	32	-1.0	-45.49	297.46	5.88	-39.61
CC(C)(C)OC(=O)NC1CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)CC1	REAL300020064006	0	46	-1.0	-44.21	372.71	4.80	-39.41
CC(C)(C)OC(=O)NC1CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)CC1	REAL300020064006	1	46	-1.0	-44.17	372.78	4.80	-39.37
CC(C)(C)OC(=O)NC1CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)CC1	REAL300020064007	0	46	-1.0	-46.04	373.03	4.73	-41.31
CC(C)(C)OC(=O)NC1CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)CC1	REAL300020064007	1	46	-1.0	-46.01	373.08	4.73	-41.28
COC1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C(C2CC2)C=C1Cl	REAL300020064008	0	36	-1.0	-37.09	319.34	6.29	-30.80
COC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C(C2CC2)C=C1Cl	REAL300020064008	1	36	-1.0	-37.08	319.40	6.30	-30.78
COC1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C(C2CC2)C=C1Cl	REAL300020064009	0	36	-1.0	-41.66	319.63	6.24	-35.42
COC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C(C2CC2)C=C1Cl	REAL300020064009	1	36	-1.0	-41.64	319.69	6.24	-35.40
CCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)N1C(=O)OC(C)(C)C	REAL300020064010	0	44	-1.0	-40.48	356.53	6.76	-33.72
CCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)N1C(=O)OC(C)(C)C	REAL300020064010	1	44	-1.0	-40.48	356.61	6.76	-33.72
CCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)N1C(=O)OC(C)(C)C	REAL300020064011	0	44	-1.0	-48.98	356.58	6.73	-42.25
CCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)N1C(=O)OC(C)(C)C	REAL300020064011	1	44	-1.0	-48.98	356.61	6.71	-42.27
N#CC1=C(Cl)C=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1F	REAL300020064012	0	26	-1.0	-37.83	270.79	5.45	-32.38
N#CC1=C(Cl)C=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1F	REAL300020064012	1	26	-1.0	-37.83	270.84	5.46	-32.37
N#CC1=C(Cl)C=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1F	REAL300020064013	0	26	-1.0	-47.46	271.20	5.42	-42.04
N#CC1=C(Cl)C=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1F	REAL300020064013	1	26	-1.0	-47.40	271.26	5.42	-41.98
C=CCCCOC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020064014	0	39	-1.0	-38.43	331.00	6.85	-31.58
C=CCCCOC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020064014	1	39	-1.0	-38.40	331.06	6.86	-31.54
C=CCCCOC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020064015	0	39	-1.0	-44.78	331.31	6.82	-37.96
C=CCCCOC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020064015	1	39	-1.0	-44.73	331.36	6.81	-37.92
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OCCC[NH+]1CCCC1	REAL300020064016	0	48	0.0	-63.99	380.58	8.00	-55.99
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OCCC[NH+]1CCCC1	REAL300020064016	1	48	0.0	-63.95	380.64	8.01	-55.94
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OCCC[NH+]1CCCC1	REAL300020064017	0	48	0.0	-72.57	380.89	7.97	-64.60
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OCCC[NH+]1CCCC1	REAL300020064017	1	48	0.0	-72.55	380.93	7.96	-64.59
FC(F)(F)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020064018	0	28	-1.0	-35.69	275.67	5.90	-29.79
FC(F)(F)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020064018	1	28	-1.0	-35.68	275.73	5.91	-29.77
FC(F)(F)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL300020064019	0	28	-1.0	-41.97	275.99	5.87	-36.10
FC(F)(F)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL300020064019	1	28	-1.0	-41.96	276.04	5.86	-36.10
FC(F)(F)C1=CC=C(Cl)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020064020	0	28	-1.0	-38.17	281.38	6.06	-32.11
FC(F)(F)C1=CC=C(Cl)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020064020	1	28	-1.0	-38.17	281.43	6.07	-32.10
FC(F)(F)C1=CC=C(Cl)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020064021	0	28	-1.0	-41.85	281.66	6.02	-35.83
FC(F)(F)C1=CC=C(Cl)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020064021	1	28	-1.0	-41.79	281.72	6.01	-35.78
FC(F)(F)C(F)(F)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020064022	0	31	-1.0	-37.53	295.00	6.36	-31.17
FC(F)(F)C(F)(F)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020064022	1	31	-1.0	-37.48	295.06	6.37	-31.11
FC(F)(F)C(F)(F)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020064023	0	31	-1.0	-42.44	295.32	6.32	-36.12
FC(F)(F)C(F)(F)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020064023	1	31	-1.0	-42.41	295.37	6.32	-36.09
C1=CC(C[NH+]2CCCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020064024	0	41	0.0	-67.80	328.81	7.59	-60.21
C1=CC(C[NH+]2CCCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020064024	1	41	0.0	-67.77	328.75	7.58	-60.19
C1=CC(C[NH+]2CCCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020064025	0	41	0.0	-68.93	326.78	7.44	-61.49
C1=CC(C[NH+]2CCCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020064025	1	41	0.0	-68.91	326.83	7.44	-61.47
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020064026	0	45	-1.0	-39.20	371.63	3.47	-35.73
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020064026	1	45	-1.0	-39.18	371.69	3.48	-35.70
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020064027	0	45	-1.0	-45.89	371.83	3.41	-42.48
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020064027	1	45	-1.0	-45.83	371.89	3.40	-42.43
FC1(F)CC(C2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)C1(F)F	REAL300020064028	0	35	-1.0	-41.46	312.42	7.31	-34.15
FC1(F)CC(C2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C1(F)F	REAL300020064028	1	35	-1.0	-41.40	312.48	7.32	-34.08
FC1(F)CC(C2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)C1(F)F	REAL300020064029	0	35	-1.0	-46.35	312.72	7.27	-39.08
FC1(F)CC(C2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C1(F)F	REAL300020064029	1	35	-1.0	-46.28	312.77	7.26	-39.02
BrCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020064030	0	28	-1.0	-39.53	267.06	5.88	-33.65
BrCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020064030	1	28	-1.0	-39.52	267.12	5.89	-33.63
BrCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020064031	0	28	-1.0	-43.86	267.38	5.85	-38.01
BrCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020064031	1	28	-1.0	-43.85	267.43	5.84	-38.01
C1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1OCCC[NH+]1CCCC1	REAL300020064032	0	47	0.0	-67.41	375.70	6.19	-61.22
C1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1OCCC[NH+]1CCCC1	REAL300020064032	1	47	0.0	-67.42	375.76	6.20	-61.22
C1=C(C2=CN=CC(OCCC[NH+]3CCCC3)=C2)C=NC(C2=N[N-]N=N2)=C1	REAL300020064033	0	47	0.0	-71.12	374.41	6.05	-65.07
C1=C(C2=CN=CC(OCCC[NH+]3CCCC3)=C2)C=NC(C2=NN=N[N-]2)=C1	REAL300020064033	1	47	0.0	-71.06	374.46	6.04	-65.02
FC(C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1)C(F)(F)F	REAL300020064034	0	31	-1.0	-39.31	288.07	6.26	-33.05
FC(C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1)C(F)(F)F	REAL300020064034	1	31	-1.0	-39.26	288.12	6.27	-32.99
FC(C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1)C(F)(F)F	REAL300020064035	0	31	-1.0	-44.04	288.35	6.22	-37.82
FC(C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1)C(F)(F)F	REAL300020064035	1	31	-1.0	-43.99	288.40	6.21	-37.78
FC(F)(F)C(F)(F)C1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020064036	0	31	-1.0	-36.59	295.02	6.36	-30.23
FC(F)(F)C(F)(F)C1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020064036	1	31	-1.0	-36.55	295.09	6.37	-30.18
FC(F)(F)C(F)(F)C1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020064037	0	31	-1.0	-44.23	295.34	6.32	-37.91
FC(F)(F)C(F)(F)C1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020064037	1	31	-1.0	-44.23	295.39	6.32	-37.91
FC(C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1)C(F)(F)F	REAL300020064038	0	31	-1.0	-41.94	288.01	6.27	-35.67
FC(C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1)C(F)(F)F	REAL300020064038	1	31	-1.0	-41.87	288.07	6.28	-35.59
FC(C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1)C(F)(F)F	REAL300020064039	0	31	-1.0	-44.57	288.34	6.23	-38.34
FC(C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1)C(F)(F)F	REAL300020064039	1	31	-1.0	-44.57	288.39	6.22	-38.35
CS(=O)(=O)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020064040	0	31	-1.0	-46.02	284.50	2.02	-44.00
CS(=O)(=O)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020064040	1	31	-1.0	-45.98	284.56	2.03	-43.95
CS(=O)(=O)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020064041	0	31	-1.0	-50.55	284.83	1.99	-48.56
CS(=O)(=O)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020064041	1	31	-1.0	-50.47	284.88	1.98	-48.49
C1=CC(CN2CCOCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020064042	0	41	-1.0	-39.78	332.71	3.56	-36.22
C1=CC(CN2CCOCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020064042	1	41	-1.0	-39.78	332.77	3.57	-36.21
C1=CC(C[NH+]2CCOCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020064042	1	42	0.0	-70.65	335.17	5.85	-64.80
C1=CC(CN2CCOCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020064043	0	41	-1.0	-44.84	332.14	3.35	-41.49
C1=CC(CN2CCOCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020064043	1	41	-1.0	-44.78	332.20	3.34	-41.44
C1=CC(C[NH+]2CCOCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020064043	1	42	0.0	-72.12	335.48	5.80	-66.32
COC1=CC(Cl)=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020064044	0	29	-1.0	-37.57	288.03	4.85	-32.72
COC1=CC(Cl)=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020064044	1	29	-1.0	-37.56	288.09	4.86	-32.70
COC1=CC(Cl)=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1Cl	REAL300020064045	0	29	-1.0	-42.52	288.40	4.82	-37.70
COC1=CC(Cl)=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1Cl	REAL300020064045	1	29	-1.0	-42.50	288.43	4.81	-37.69
COC(=O)C1=CC([N+](=O)[O-])=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300020064046	0	36	-1.0	-38.93	323.68	6.29	-32.64
COC(=O)C1=CC([N+](=O)[O-])=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300020064046	1	36	-1.0	-38.89	323.74	6.30	-32.59
COC(=O)C1=CC([N+](=O)[O-])=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1C	REAL300020064047	0	36	-1.0	-42.92	324.07	6.25	-36.67
COC(=O)C1=CC([N+](=O)[O-])=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1C	REAL300020064047	1	36	-1.0	-42.95	324.12	6.24	-36.71
CC(C)(C)OC(=O)N1CCOC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2C1	REAL300020064048	0	50	-1.0	-48.77	398.13	6.99	-41.78
CC(C)(C)OC(=O)N1CCOC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2C1	REAL300020064048	1	50	-1.0	-48.82	398.20	7.00	-41.82
CC(C)(C)OC(=O)N1CCOC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2C1	REAL300020064049	0	50	-1.0	-51.00	398.44	6.96	-44.04
CC(C)(C)OC(=O)N1CCOC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2C1	REAL300020064049	1	50	-1.0	-50.91	398.48	6.95	-43.96
CC(C)(C)OC(=O)NCC1=C(C2=CN=CC(C3=N[N-]N=N3)=C2)SC=C1	REAL300020064050	0	42	-1.0	-45.20	363.61	4.06	-41.14
CC(C)(C)OC(=O)NCC1=C(C2=CN=CC(C3=NN=N[N-]3)=C2)SC=C1	REAL300020064050	1	42	-1.0	-45.13	363.67	4.06	-41.07
CC(C)(C)OC(=O)NCC1=C(C2=CC=C(C3=N[N-]N=N3)N=C2)SC=C1	REAL300020064051	0	42	-1.0	-45.90	363.93	4.02	-41.88
CC(C)(C)OC(=O)NCC1=C(C2=CC=C(C3=NN=N[N-]3)N=C2)SC=C1	REAL300020064051	1	42	-1.0	-45.91	363.98	4.01	-41.90
CCN1N=CC(NC(=O)C(F)(F)F)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020064052	0	35	-1.0	-36.02	321.89	2.37	-33.65
CCN1N=CC(NC(=O)C(F)(F)F)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020064052	1	35	-1.0	-36.02	321.96	2.37	-33.65
CCN1N=CC(NC(=O)C(F)(F)F)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020064053	0	35	-1.0	-40.06	325.33	2.33	-37.73
CCN1N=CC(NC(=O)C(F)(F)F)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020064053	1	35	-1.0	-39.80	325.36	2.31	-37.49
O[C@@H]1CCN(C2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=N2)C1	REAL300020064054	0	37	-1.0	-43.28	308.19	1.14	-42.14
O[C@@H]1CCN(C2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=N2)C1	REAL300020064054	1	37	-1.0	-43.25	308.25	1.15	-42.10
O[C@@H]1CCN(C2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=N2)C1	REAL300020064055	0	37	-1.0	-46.16	308.51	1.10	-45.06
O[C@@H]1CCN(C2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=N2)C1	REAL300020064055	1	37	-1.0	-46.14	308.55	1.09	-45.05
ClC1=CC2=NC=CN=C2C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020064056	0	29	-1.0	-42.57	278.59	3.49	-39.08
ClC1=CC2=NC=CN=C2C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020064056	1	29	-1.0	-42.54	278.63	3.49	-39.05
ClC1=CC2=NC=CN=C2C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020064057	0	29	-1.0	-45.18	278.82	3.45	-41.73
ClC1=CC2=NC=CN=C2C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020064057	1	29	-1.0	-45.21	278.88	3.45	-41.76
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020064058	0	45	-1.0	-39.34	373.31	2.39	-36.95
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020064058	1	45	-1.0	-39.33	373.37	2.39	-36.94
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020064059	0	45	-1.0	-44.74	373.62	2.34	-42.40
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020064059	1	45	-1.0	-44.72	373.68	2.33	-42.39
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020064060	0	45	-1.0	-38.43	368.46	3.27	-35.16
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020064060	1	45	-1.0	-38.40	368.52	3.27	-35.13
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020064061	0	45	-1.0	-41.43	371.89	3.24	-38.19
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020064061	1	45	-1.0	-41.44	371.93	3.23	-38.21
FC1=CC(OC(F)F)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020064062	0	29	-1.0	-40.75	269.49	4.13	-36.62
FC1=CC(OC(F)F)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020064062	1	29	-1.0	-40.73	269.55	4.14	-36.59
FC1=CC(OC(F)F)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020064063	0	29	-1.0	-43.97	269.81	4.10	-39.87
FC1=CC(OC(F)F)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020064063	1	29	-1.0	-43.93	269.86	4.09	-39.84
FC(F)(F)C(F)(F)OC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020064064	0	32	-1.0	-38.92	303.92	5.35	-33.57
FC(F)(F)C(F)(F)OC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020064064	1	32	-1.0	-38.90	303.98	5.36	-33.54
FC(F)(F)C(F)(F)OC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020064065	0	32	-1.0	-42.54	304.23	5.32	-37.22
FC(F)(F)C(F)(F)OC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020064065	1	32	-1.0	-42.55	304.28	5.31	-37.24
C1=CC2=C(C=C1)C1=C(O2)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1	REAL300020064066	0	34	-1.0	-42.60	304.63	7.43	-35.17
C1=CC2=C(C=C1)C1=C(O2)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1	REAL300020064066	1	34	-1.0	-42.59	304.69	7.44	-35.15
C1=CC2=C(C=C1)C1=C(O2)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1	REAL300020064067	0	34	-1.0	-49.81	304.94	7.40	-42.41
C1=CC2=C(C=C1)C1=C(O2)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1	REAL300020064067	1	34	-1.0	-49.73	305.00	7.39	-42.34
C1=CC=C(OC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)C=C1	REAL300020064068	0	36	-1.0	-39.73	312.52	7.34	-32.39
C1=CC=C(OC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)C=C1	REAL300020064068	1	36	-1.0	-39.68	312.58	7.35	-32.33
C1=CC=C(OC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)C=C1	REAL300020064069	0	36	-1.0	-44.35	312.83	7.30	-37.05
C1=CC=C(OC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)C=C1	REAL300020064069	1	36	-1.0	-44.30	312.88	7.29	-37.01
FC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1OC(F)(F)F	REAL300020064070	0	29	-1.0	-35.27	276.05	4.35	-30.92
FC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1OC(F)(F)F	REAL300020064070	1	29	-1.0	-35.25	276.11	4.36	-30.89
FC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1OC(F)(F)F	REAL300020064071	0	29	-1.0	-44.12	276.36	4.32	-39.80
FC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1OC(F)(F)F	REAL300020064071	1	29	-1.0	-44.04	276.42	4.31	-39.73
CC(C)(C)OC(=O)NCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020064072	0	45	-1.0	-41.72	371.75	4.94	-36.78
CC(C)(C)OC(=O)NCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020064072	1	45	-1.0	-41.68	371.81	4.95	-36.73
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020064073	0	45	-1.0	-46.22	372.07	4.90	-41.32
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020064073	1	45	-1.0	-46.18	372.12	4.90	-41.28
O=C1COCC2=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020064074	0	34	-1.0	-43.01	290.67	2.44	-40.57
O=C1COCC2=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=CC=C2N1	REAL300020064074	1	34	-1.0	-42.99	290.73	2.44	-40.55
O=C1COCC2=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=CC=C2N1	REAL300020064075	0	34	-1.0	-47.44	290.99	2.40	-45.04
O=C1COCC2=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=CC=C2N1	REAL300020064075	1	34	-1.0	-47.44	291.03	2.40	-45.04
FC(F)(F)C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(Cl)=N1	REAL300020064076	0	27	-1.0	-41.70	278.19	4.32	-37.38
FC(F)(F)C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(Cl)=N1	REAL300020064076	1	27	-1.0	-41.66	278.26	4.33	-37.33
FC(F)(F)C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(Cl)=N1	REAL300020064077	0	27	-1.0	-42.62	278.48	4.28	-38.34
FC(F)(F)C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(Cl)=N1	REAL300020064077	1	27	-1.0	-42.57	278.54	4.27	-38.30
O=C(OCC1=N[N-]N=N1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300020067202	0	25	-1.0	-34.72	270.61	5.39	-29.33
O=C(OCC1=NN=N[N-]1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300020067202	1	25	-1.0	-34.72	270.66	5.41	-29.31
CN(C)S(=O)(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=CO1	REAL300020067203	0	30	-1.0	-41.34	290.94	-0.15	-41.49
CN(C)S(=O)(=O)C1=CC(C(=O)OCC2=NN=N[N-]2)=CO1	REAL300020067203	1	30	-1.0	-41.33	290.99	-0.14	-41.47
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=N[N-]N=N1	REAL300020067204	0	42	-1.0	-37.15	355.88	3.32	-33.83
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=NN=N[N-]1	REAL300020067204	1	42	-1.0	-37.15	355.93	3.34	-33.81
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=C(Br)C=C2)C=N1	REAL300020067205	0	29	-1.0	-45.63	289.61	6.69	-38.94
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=C(Br)C=C2)C=N1	REAL300020067205	1	29	-1.0	-45.63	289.55	6.68	-38.95
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)OCC1=N[N-]N=N1	REAL300020067206	0	42	-1.0	-40.19	350.41	4.99	-35.20
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)OCC1=NN=N[N-]1	REAL300020067206	1	42	-1.0	-40.23	350.46	5.01	-35.22
CC(C)COC1=CC=CC(OCC(=O)OCC2=N[N-]N=N2)=C1	REAL300020067207	0	39	-1.0	-40.67	334.28	5.75	-34.92
CC(C)COC1=CC=CC(OCC(=O)OCC2=NN=N[N-]2)=C1	REAL300020067207	1	39	-1.0	-40.66	334.34	5.76	-34.90
O=C(OCC1=N[N-]N=N1)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300020067208	0	32	-1.0	-42.25	303.26	7.52	-34.73
O=C(OCC1=NN=N[N-]1)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300020067208	1	32	-1.0	-42.22	303.32	7.53	-34.69
CCS(=O)(=O)C1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL300020067209	0	37	-1.0	-45.20	335.98	3.79	-41.41
CCS(=O)(=O)C1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL300020067209	1	37	-1.0	-45.22	336.03	3.80	-41.42
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)OCC1=N[N-]N=N1)C2=O	REAL300020067210	0	43	-1.0	-43.31	343.13	4.22	-39.09
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)OCC1=NN=N[N-]1)C2=O	REAL300020067210	1	43	-1.0	-43.27	343.18	4.23	-39.04
CN(C(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020067211	0	39	-1.0	-40.86	331.86	6.81	-34.05
CN(C(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020067211	1	39	-1.0	-40.85	331.91	6.82	-34.03
O=C(OCC1=NN=N[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300020067212	0	29	-1.0	-46.11	286.56	5.51	-40.60
O=C(OCC1=N[N-]N=N1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300020067212	1	29	-1.0	-46.11	286.50	5.49	-40.62
O=C(OCC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300020067213	0	38	-1.0	-42.88	339.02	6.55	-36.33
O=C(OCC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300020067213	1	38	-1.0	-42.88	338.97	6.53	-36.35
O=C(OCC1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300020067214	0	35	-1.0	-40.09	311.63	3.66	-36.43
O=C(OCC1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300020067214	1	35	-1.0	-40.07	311.69	3.68	-36.39
O=C(OCC1=NN=N[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300020067215	0	31	-1.0	-42.28	295.75	5.51	-36.77
O=C(OCC1=N[N-]N=N1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300020067215	1	31	-1.0	-42.33	295.69	5.49	-36.84
CC(C)C1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC=C(C(F)(F)F)C=N1	REAL300020067216	0	40	-1.0	-38.67	352.06	7.16	-31.51
CC(C)C1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC=C(C(F)(F)F)C=N1	REAL300020067216	1	40	-1.0	-38.66	352.01	7.14	-31.52
CC(C)C1=C(C(=O)OCC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL300020067217	0	37	-1.0	-42.41	312.94	6.17	-36.24
CC(C)C1=C(C(=O)OCC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL300020067217	1	37	-1.0	-42.45	312.89	6.16	-36.29
CC1=CC(C(F)(F)F)=C2C=C(C(=O)OCC3=N[N-]N=N3)OC2=N1	REAL300020067218	0	30	-1.0	-42.76	295.35	2.85	-39.91
CC1=CC(C(F)(F)F)=C2C=C(C(=O)OCC3=NN=N[N-]3)OC2=N1	REAL300020067218	1	30	-1.0	-42.77	295.41	2.87	-39.90
O=C(OCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300020067219	0	32	-1.0	-56.54	299.72	6.43	-50.11
O=C(OCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300020067219	1	32	-1.0	-56.54	299.67	6.41	-50.13
O=C(OCC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1	REAL300020067220	0	41	-1.0	-44.22	360.04	8.83	-35.39
O=C(OCC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1	REAL300020067220	1	41	-1.0	-44.21	360.10	8.85	-35.36
O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300020067221	0	36	-1.0	-40.31	324.46	7.82	-32.49
O=C(OCC1=NN=N[N-]1)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300020067221	1	36	-1.0	-40.30	324.52	7.84	-32.46
O=C(OCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1SC1=CC=C(Cl)C=C1	REAL300020067222	0	33	-1.0	-36.90	336.90	8.64	-28.26
O=C(OCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1SC1=CC=C(Cl)C=C1	REAL300020067222	1	33	-1.0	-36.87	336.96	8.65	-28.22
COC1=CC=C(C2(C(=O)OCC3=N[N-]N=N3)CCC2)C=C1OC	REAL300020067223	0	40	-1.0	-43.66	328.97	5.40	-38.26
COC1=CC=C(C2(C(=O)OCC3=NN=N[N-]3)CCC2)C=C1OC	REAL300020067223	1	40	-1.0	-43.67	329.03	5.41	-38.26
CCCCSC1=CC=C(Cl)C=C1C(=O)OCC1=N[N-]N=N1	REAL300020067224	0	35	-1.0	-40.34	327.18	7.59	-32.75
CCCCSC1=CC=C(Cl)C=C1C(=O)OCC1=NN=N[N-]1	REAL300020067224	1	35	-1.0	-40.36	327.24	7.60	-32.76
O=C(OCC1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1SC1=CC=CC(F)=C1	REAL300020067225	0	36	-1.0	-39.97	348.63	8.67	-31.30
O=C(OCC1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1SC1=CC=CC(F)=C1	REAL300020067225	1	36	-1.0	-39.97	348.69	8.68	-31.29
O=C(OCC1=N[N-]N=N1)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1	REAL300020067226	0	33	-1.0	-39.89	326.59	8.19	-31.70
O=C(OCC1=NN=N[N-]1)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1	REAL300020067226	1	33	-1.0	-39.89	326.64	8.21	-31.68
O=C(OCC1=N[N-]N=N1)C1=CC(Cl)=CC=C1SC1=CC=CC=C1	REAL300020067227	0	33	-1.0	-40.48	320.16	8.12	-32.36
O=C(OCC1=NN=N[N-]1)C1=CC(Cl)=CC=C1SC1=CC=CC=C1	REAL300020067227	1	33	-1.0	-40.49	320.21	8.13	-32.36
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)OCC2=N[N-]N=N2)=C1	REAL300020067228	0	36	-1.0	-40.78	341.57	8.79	-31.99
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)OCC2=NN=N[N-]2)=C1	REAL300020067228	1	36	-1.0	-40.77	341.63	8.81	-31.96
CNS(=O)(=O)C1=CC=C(CC(=O)OCC2=N[N-]N=N2)C=C1	REAL300020067229	0	33	-1.0	-44.65	309.02	0.73	-43.92
CNS(=O)(=O)C1=CC=C(CC(=O)OCC2=NN=N[N-]2)C=C1	REAL300020067229	1	33	-1.0	-44.66	309.08	0.75	-43.91